CNRS Nantes University UFIP UFIP
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***  HYDROLASE 12-NOV-13 4NKK  ***

elNémo ID: 22090215271376465

Job options:

ID        	=	 22090215271376465
JOBID     	=	 HYDROLASE 12-NOV-13 4NKK
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:


HEADER    HYDROLASE                               12-NOV-13   4NKK              
TITLE     CRYSTAL STRUCTURE OF A MULTI-DRUG RESISTANT CLINICAL ISOLATE-769 HIV-1
TITLE    2 PROTEASE VARIANT THAT IS RESISTANT TO THE DIMERIZATION INHIBITORY    
TITLE    3 ACTIVITY OF TLF-PAFF                                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HIV-1 PROTEASE;                                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;                 
SOURCE   3 ORGANISM_TAXID: 11676;                                               
SOURCE   4 GENE: POL;                                                           
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    HIV, AIDS, HIV-1 PROTEASE, DIMERIZATION INHIBITORS, PROTEASE          
KEYWDS   2 INHIBITORS, MULTIDRUG-RESISTANCE, CLINICAL ISOLATE 769, DIMER        
KEYWDS   3 PROTEASE, HYDROLASE                                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.S.YEDIDI,G.PROTEASA,L.C.KOVARI                                      
REVDAT   2   20-AUG-14 4NKK    1       JRNL                                     
REVDAT   1   09-JUL-14 4NKK    0                                                
JRNL        AUTH   R.S.YEDIDI,G.PROTEASA,P.D.MARTIN,Z.LIU,J.F.VICKREY,          
JRNL        AUTH 2 I.A.KOVARI,L.C.KOVARI                                        
JRNL        TITL   A MULTI-DRUG RESISTANT HIV-1 PROTEASE IS RESISTANT TO THE    
JRNL        TITL 2 DIMERIZATION INHIBITORY ACTIVITY OF TLF-PAFF.                
JRNL        REF    J.MOL.GRAPH.MODEL.            V. 53C   105 2014              
JRNL        REFN                   ISSN 1093-3263                               
JRNL        PMID   25108107                                                     
JRNL        DOI    10.1016/J.JMGM.2014.06.010                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.2_1309)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.34                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 10575                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.206                           
REMARK   3   R VALUE            (WORKING SET) : 0.204                           
REMARK   3   FREE R VALUE                     : 0.249                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.080                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 537                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 26.3436 -  2.8564    1.00     2660   129  0.1909 0.2284        
REMARK   3     2  2.8564 -  2.2676    1.00     2492   129  0.2231 0.2682        
REMARK   3     3  2.2676 -  1.9811    1.00     2474   132  0.2056 0.2623        
REMARK   3     4  1.9811 -  1.8000    1.00     2412   147  0.2156 0.2720        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.150            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.130           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007            767                                  
REMARK   3   ANGLE     :  1.113           1043                                  
REMARK   3   CHIRALITY :  0.069            125                                  
REMARK   3   PLANARITY :  0.006            132                                  
REMARK   3   DIHEDRAL  : 13.423            286                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4NKK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-NOV-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB083319.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 5ID-B                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.99                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MAR CCD 165 MM                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.560                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.110                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.06000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 3PJ6                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.26                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.47                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.3-1.0 M NACL (PRECIPITANT), PH 7.3,    
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 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+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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       52.68150            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       22.43750            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       22.43750            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       26.34075            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       22.43750            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       22.43750            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       79.02225            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       22.43750            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       22.43750            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       26.34075            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       22.43750            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       22.43750            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       79.02225            
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        0.00000            
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       52.68150            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10620 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL                        
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 350   BIOMT1   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 219  LIES ON A SPECIAL POSITION.                          
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 THESEvARE CHARACTERISTIC MUTATIONS OF THE ORIGINAL PATIENT ISOLATE   
REMARK 400 MDR769 HIV-1 PROTEASE                                                
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     GLU A   35   CB                                                  
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   NZ   LYS A    55     O    HOH A   203              2.07            
REMARK 500   O    HOH A   158     O    HOH A   191              2.09            
REMARK 500   O    HOH A   158     O    HOH A   195              2.15            
REMARK 500   NZ   LYS A    43     O    HOH A   227              2.16            
REMARK 500   O    THR A    80     O    HOH A   202              2.16            
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   113     O    HOH A   207     3455     1.77            
REMARK 500   O    HOH A   128     O    HOH A   181     6444     1.87            
REMARK 500   O    HOH A   181     O    HOH A   190     6544     2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3PJ6   RELATED DB: PDB                                   
REMARK 900 APO PROTEASE                                                         
REMARK 900 RELATED ID: 1TW7   RELATED DB: PDB                                   
REMARK 900 PARENT CLINICAL ISOLATE                                              
DBREF  4NKK A    1    99  UNP    Q000H7   Q000H7_9HIV1     1     99             
SEQADV 4NKK VAL A   10  UNP  Q000H7    ILE    10 ENGINEERED MUTATION            
SEQADV 4NKK ASN A   25  UNP  Q000H7    ASP    25 ENGINEERED MUTATION            
SEQADV 4NKK GLU A   35  UNP  Q000H7    ASP    35 SEE REMARK 999                 
SEQADV 4NKK VAL A   36  UNP  Q000H7    ILE    36 SEE REMARK 999                 
SEQADV 4NKK LEU A   46  UNP  Q000H7    MET    46 SEE REMARK 999                 
SEQADV 4NKK ALA A   82  UNP  Q000H7    THR    82 SEE REMARK 999                 
SEQRES   1 A   99  PRO GLN ILE THR LEU TRP GLN ARG PRO VAL VAL THR ILE          
SEQRES   2 A   99  LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR          
SEQRES   3 A   99  GLY ALA ASP ASP THR VAL LEU GLU GLU VAL ASN LEU PRO          
SEQRES   4 A   99  GLY ARG TRP LYS PRO LYS LEU ILE GLY GLY ILE GLY GLY          
SEQRES   5 A   99  PHE VAL LYS VAL ARG GLN TYR ASP GLN VAL PRO ILE GLU          
SEQRES   6 A   99  ILE CYS GLY HIS LYS VAL ILE GLY THR VAL LEU VAL GLY          
SEQRES   7 A   99  PRO THR PRO ALA ASN VAL ILE GLY ARG ASN LEU MET THR          
SEQRES   8 A   99  GLN ILE GLY CYS THR LEU ASN PHE                              
FORMUL   2  HOH   *142(H2 O)                                                    
HELIX    1   1 GLY A   86  GLY A   94  1                                   9    
SHEET    1   A 8 LYS A  43  GLY A  49  0                                        
SHEET    2   A 8 GLY A  52  ILE A  66 -1  O  VAL A  56   N  LYS A  45           
SHEET    3   A 8 HIS A  69  VAL A  77 -1  O  VAL A  71   N  ILE A  64           
SHEET    4   A 8 VAL A  32  LEU A  33  1  N  LEU A  33   O  LEU A  76           
SHEET    5   A 8 VAL A  84  ILE A  85 -1  O  VAL A  84   N  VAL A  32           
SHEET    6   A 8 GLN A  18  LEU A  24  1  N  LEU A  23   O  ILE A  85           
SHEET    7   A 8 VAL A  10  ILE A  15 -1  N  VAL A  11   O  ALA A  22           
SHEET    8   A 8 GLY A  52  ILE A  66 -1  O  GLU A  65   N  LYS A  14           
CRYST1   44.875   44.875  105.363  90.00  90.00  90.00 P 41 21 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      0.022284  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.022284  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009491        0.00000                         
ATOM      1  N   PRO A   1       4.705  11.003  -7.826  1.00 27.02           N  
ATOM      2  CA  PRO A   1       3.861  11.697  -6.851  1.00 25.84           C  
ATOM      3  C   PRO A   1       4.023  11.142  -5.443  1.00 25.58           C  
ATOM      4  O   PRO A   1       4.668  10.102  -5.236  1.00 24.12           O  
ATOM      5  CB  PRO A   1       2.451  11.388  -7.347  1.00 32.12           C  
ATOM      6  CG  PRO A   1       2.582  10.031  -7.979  1.00 27.46           C  
ATOM      7  CD  PRO A   1       3.935  10.042  -8.640  1.00 27.15           C  
ATOM      8  N   GLN A   2       3.461  11.859  -4.476  1.00 23.64           N  
ATOM      9  CA  GLN A   2       3.302  11.326  -3.131  1.00 21.39           C  
ATOM     10  C   GLN A   2       1.813  11.192  -2.903  1.00 25.49           C  
ATOM     11  O   GLN A   2       1.074  12.177  -2.996  1.00 25.48           O  
ATOM     12  CB  GLN A   2       3.903  12.253  -2.078  1.00 23.21           C  
ATOM     13  CG  GLN A   2       3.529  11.868  -0.649  1.00 22.55           C  
ATOM     14  CD  GLN A   2       4.389  12.561   0.394  1.00 26.71           C  
ATOM     15  OE1 GLN A   2       3.928  13.457   1.102  1.00 31.51           O  
ATOM     16  NE2 GLN A   2       5.642  12.140   0.500  1.00 22.81           N  
ATOM     17  N   ILE A   3       1.363   9.973  -2.631  1.00 19.08           N  
ATOM     18  CA  ILE A   3      -0.055   9.736  -2.392  1.00 16.36           C  
ATOM     19  C   ILE A   3      -0.292   9.478  -0.903  1.00 16.07           C  
ATOM     20  O   ILE A   3       0.212   8.497  -0.343  1.00 12.44           O  
ATOM     21  CB  ILE A   3      -0.565   8.564  -3.253  1.00 14.87           C  
ATOM     22  CG1 ILE A   3      -0.308   8.860  -4.738  1.00 16.19           C  
ATOM     23  CG2 ILE A   3      -2.045   8.307  -2.993  1.00 16.95           C  
ATOM     24  CD1 ILE A   3      -0.686   7.744  -5.688  1.00 18.10           C  
ATOM     25  N   THR A   4      -1.033  10.375  -0.250  1.00 16.38           N  
ATOM     26  CA  THR A   4      -1.419  10.152   1.142  1.00 14.41           C  
ATOM     27  C   THR A   4      -2.589   9.174   1.166  1.00 11.69           C  
ATOM     28  O   THR A   4      -3.267   8.980   0.151  1.00 13.94           O  
ATOM     29  CB  THR A   4      -1.812  11.453   1.869  1.00 15.62           C  
ATOM     30  OG1 THR A   4      -2.865  12.110   1.154  1.00 16.92           O  
ATOM     31  CG2 THR A   4      -0.628  12.393   1.976  1.00 20.01           C  
ATOM     32  N   LEU A   5      -2.845   8.578   2.322  1.00 12.36           N  
ATOM     33  CA  LEU A   5      -3.781   7.463   2.376  1.00 11.76           C  
ATOM     34  C   LEU A   5      -5.060   7.776   3.137  1.00 11.81           C  
ATOM     35  O   LEU A   5      -5.718   6.870   3.639  1.00  9.72           O  
ATOM     36  CB  LEU A   5      -3.094   6.225   2.962  1.00 12.66           C  
ATOM     37  CG  LEU A   5      -1.942   5.740   2.077  1.00 12.64           C  
ATOM     38  CD1 LEU A   5      -1.082   4.715   2.800  1.00 12.29           C  
ATOM     39  CD2 LEU A   5      -2.483   5.160   0.774  1.00 11.70           C  
ATOM     40  N   TRP A   6      -5.427   9.056   3.206  1.00 12.70           N  
ATOM     41  CA  TRP A   6      -6.707   9.428   3.817  1.00 15.07           C  
ATOM     42  C   TRP A   6      -7.872   8.887   2.995  1.00 13.45           C  
ATOM     43  O   TRP A   6      -8.908   8.528   3.538  1.00 13.19           O  
ATOM     44  CB  TRP A   6      -6.821  10.948   3.970  1.00 16.52           C  
ATOM     45  CG  TRP A   6      -5.661  11.559   4.697  1.00 13.63           C  
ATOM     46  CD1 TRP A   6      -4.546  12.094   4.143  1.00 16.87           C  
ATOM     47  CD2 TRP A   6      -5.513  11.696   6.116  1.00 15.15           C  
ATOM     48  NE1 TRP A   6      -3.704  12.554   5.127  1.00 17.58           N  
ATOM     49  CE2 TRP A   6      -4.275  12.322   6.341  1.00 15.75           C  
ATOM     50  CE3 TRP A   6      -6.301  11.339   7.204  1.00 17.59           C  
ATOM     51  CZ2 TRP A   6      -3.809  12.605   7.633  1.00 17.81           C  
ATOM     52  CZ3 TRP A   6      -5.838  11.636   8.493  1.00 17.04           C  
ATOM     53  CH2 TRP A   6      -4.604  12.254   8.689  1.00 16.49           C  
ATOM     54  N   GLN A   7      -7.690   8.809   1.675  1.00 12.80           N  
ATOM     55  CA  GLN A   7      -8.669   8.183   0.791  1.00 12.99           C  
ATOM     56  C   GLN A   7      -8.065   6.920   0.169  1.00 11.42           C  
ATOM     57  O   GLN A   7      -6.853   6.680   0.274  1.00 10.98           O  
ATOM     58  CB  GLN A   7      -9.071   9.154  -0.336  1.00 13.71           C  
ATOM     59  CG  GLN A   7      -9.444  10.557   0.170  1.00 16.73           C  
ATOM     60  CD  GLN A   7     -10.516  10.516   1.233  1.00 20.56           C  
ATOM     61  OE1 GLN A   7     -11.461   9.725   1.148  1.00 22.80           O  
ATOM     62  NE2 GLN A   7     -10.377  11.369   2.256  1.00 22.19           N  
ATOM     63  N   ARG A   8      -8.904   6.122  -0.480  1.00 11.96           N  
ATOM     64  CA  ARG A   8      -8.404   4.949  -1.191  1.00 12.00           C  
ATOM     65  C   ARG A   8      -7.513   5.418  -2.325  1.00 10.89           C  
ATOM     66  O   ARG A   8      -7.875   6.344  -3.069  1.00 13.21           O  
ATOM     67  CB  ARG A   8      -9.567   4.124  -1.754  1.00 14.13           C  
ATOM     68  CG  ARG A   8     -10.427   3.473  -0.688  1.00 13.14           C  
ATOM     69  CD  ARG A   8     -11.595   2.709  -1.283  1.00 19.01           C  
ATOM     70  NE  ARG A   8     -12.385   2.054  -0.233  1.00 20.77           N  
ATOM     71  CZ  ARG A   8     -13.549   1.440  -0.434  1.00 24.55           C  
ATOM     72  NH1 ARG A   8     -14.087   1.403  -1.647  1.00 26.91           N  
ATOM     73  NH2 ARG A   8     -14.182   0.877   0.584  1.00 24.97           N  
ATOM     74  N   PRO A   9      -6.334   4.792  -2.469  1.00  9.90           N  
ATOM     75  CA  PRO A   9      -5.390   5.232  -3.504  1.00 12.12           C  
ATOM     76  C   PRO A   9      -5.782   4.720  -4.884  1.00 13.21           C  
ATOM     77  O   PRO A   9      -5.096   3.863  -5.446  1.00 12.84           O  
ATOM     78  CB  PRO A   9      -4.057   4.619  -3.047  1.00 13.23           C  
ATOM     79  CG  PRO A   9      -4.467   3.391  -2.273  1.00 12.34           C  
ATOM     80  CD  PRO A   9      -5.753   3.771  -1.576  1.00 12.31           C  
ATOM     81  N   VAL A  10      -6.868   5.269  -5.426  1.00 12.96           N  
ATOM     82  CA  VAL A  10      -7.321   4.943  -6.780  1.00 12.83           C  
ATOM     83  C   VAL A  10      -6.582   5.847  -7.771  1.00 14.84           C  
ATOM     84  O   VAL A  10      -6.489   7.071  -7.577  1.00 13.04           O  
ATOM     85  CB  VAL A  10      -8.863   5.096  -6.906  1.00 14.12           C  
ATOM     86  CG1 VAL A  10      -9.315   4.875  -8.336  1.00 15.64           C  
ATOM     87  CG2 VAL A  10      -9.576   4.109  -5.992  1.00 13.55           C  
ATOM     88  N   VAL A  11      -6.017   5.241  -8.808  1.00 13.36           N  
ATOM     89  CA  VAL A  11      -5.257   5.974  -9.817  1.00 13.03           C  
ATOM     90  C   VAL A  11      -5.752   5.622 -11.214  1.00 17.42           C  
ATOM     91  O   VAL A  11      -6.437   4.614 -11.405  1.00 15.12           O  
ATOM     92  CB  VAL A  11      -3.744   5.666  -9.729  1.00 17.14           C  
ATOM     93  CG1 VAL A  11      -3.168   6.145  -8.395  1.00 19.47           C  
ATOM     94  CG2 VAL A  11      -3.497   4.168  -9.896  1.00 17.77           C  
ATOM     95  N   THR A  12      -5.416   6.466 -12.187  1.00 16.22           N  
ATOM     96  CA  THR A  12      -5.772   6.185 -13.576  1.00 15.61           C  
ATOM     97  C   THR A  12      -4.667   5.354 -14.213  1.00 16.22           C  
ATOM     98  O   THR A  12      -3.481   5.672 -14.084  1.00 15.62           O  
ATOM     99  CB  THR A  12      -5.970   7.474 -14.401  1.00 19.29           C  
ATOM    100  OG1 THR A  12      -7.095   8.200 -13.888  1.00 21.41           O  
ATOM    101  CG2 THR A  12      -6.227   7.126 -15.869  1.00 19.64           C  
ATOM    102  N   ILE A  13      -5.055   4.283 -14.892  1.00 17.54           N  
ATOM    103  CA  ILE A  13      -4.098   3.492 -15.651  1.00 18.19           C  
ATOM    104  C   ILE A  13      -4.448   3.547 -17.128  1.00 21.41           C  
ATOM    105  O   ILE A  13      -5.582   3.874 -17.504  1.00 19.92           O  
ATOM    106  CB  ILE A  13      -4.048   2.028 -15.177  1.00 20.06           C  
ATOM    107  CG1 ILE A  13      -5.363   1.306 -15.496  1.00 20.70           C  
ATOM    108  CG2 ILE A  13      -3.719   1.972 -13.679  1.00 19.38           C  
ATOM    109  CD1 ILE A  13      -5.328  -0.192 -15.215  1.00 19.41           C  
ATOM    110  N   LYS A  14      -3.462   3.254 -17.967  1.00 19.42           N  
ATOM    111  CA  LYS A  14      -3.691   3.208 -19.399  1.00 22.69           C  
ATOM    112  C   LYS A  14      -3.205   1.848 -19.879  1.00 21.08           C  
ATOM    113  O   LYS A  14      -2.041   1.495 -19.682  1.00 20.61           O  
ATOM    114  CB  LYS A  14      -2.947   4.356 -20.099  1.00 25.48           C  
ATOM    115  CG  LYS A  14      -3.469   4.688 -21.496  1.00 30.97           C  
ATOM    116  CD  LYS A  14      -3.001   6.066 -21.949  1.00 31.61           C  
ATOM    117  CE  LYS A  14      -3.754   6.522 -23.191  1.00 40.36           C  
ATOM    118  NZ  LYS A  14      -3.164   7.769 -23.766  1.00 45.70           N  
ATOM    119  N   ILE A  15      -4.112   1.076 -20.470  1.00 20.88           N  
ATOM    120  CA  ILE A  15      -3.783  -0.257 -20.972  1.00 27.27           C  
ATOM    121  C   ILE A  15      -4.730  -0.670 -22.101  1.00 29.50           C  
ATOM    122  O   ILE A  15      -5.941  -0.445 -22.022  1.00 32.17           O  
ATOM    123  CB  ILE A  15      -3.822  -1.303 -19.835  1.00 25.23           C  
ATOM    124  CG1 ILE A  15      -3.331  -2.671 -20.321  1.00 25.36           C  
ATOM    125  CG2 ILE A  15      -5.219  -1.401 -19.231  1.00 24.75           C  
ATOM    126  CD1 ILE A  15      -3.199  -3.683 -19.196  1.00 22.39           C  
ATOM    127  N   GLY A  16      -4.176  -1.288 -23.142  1.00 32.54           N  
ATOM    128  CA  GLY A  16      -4.956  -1.646 -24.316  1.00 35.91           C  
ATOM    129  C   GLY A  16      -5.597  -0.424 -24.947  1.00 37.14           C  
ATOM    130  O   GLY A  16      -6.725  -0.493 -25.447  1.00 44.20           O  
ATOM    131  N   GLY A  17      -4.880   0.699 -24.915  1.00 32.67           N  
ATOM    132  CA  GLY A  17      -5.401   1.961 -25.416  1.00 34.97           C  
ATOM    133  C   GLY A  17      -6.701   2.361 -24.739  1.00 36.43           C  
ATOM    134  O   GLY A  17      -7.563   3.003 -25.346  1.00 35.03           O  
ATOM    135  N   GLN A  18      -6.848   1.959 -23.479  1.00 30.14           N  
ATOM    136  CA  GLN A  18      -8.030   2.278 -22.696  1.00 30.53           C  
ATOM    137  C   GLN A  18      -7.580   2.954 -21.411  1.00 28.32           C  
ATOM    138  O   GLN A  18      -6.575   2.561 -20.824  1.00 22.59           O  
ATOM    139  CB  GLN A  18      -8.803   1.002 -22.344  1.00 30.71           C  
ATOM    140  CG  GLN A  18      -9.582   0.371 -23.480  1.00 34.37           C  
ATOM    141  CD  GLN A  18      -9.979  -1.068 -23.177  1.00 38.86           C  
ATOM    142  OE1 GLN A  18      -9.300  -2.014 -23.594  1.00 41.92           O  
ATOM    143  NE2 GLN A  18     -11.078  -1.242 -22.443  1.00 35.94           N  
ATOM    144  N   LEU A  19      -8.304   3.983 -20.988  1.00 25.98           N  
ATOM    145  CA  LEU A  19      -8.065   4.562 -19.674  1.00 23.73           C  
ATOM    146  C   LEU A  19      -8.962   3.846 -18.682  1.00 22.66           C  
ATOM    147  O   LEU A  19     -10.155   3.653 -18.940  1.00 22.21           O  
ATOM    148  CB  LEU A  19      -8.358   6.060 -19.668  1.00 25.69           C  
ATOM    149  CG  LEU A  19      -7.287   6.921 -20.327  1.00 28.75           C  
ATOM    150  CD1 LEU A  19      -7.655   8.390 -20.225  1.00 33.80           C  
ATOM    151  CD2 LEU A  19      -5.948   6.661 -19.675  1.00 27.72           C  
ATOM    152  N   LYS A  20      -8.387   3.419 -17.561  1.00 21.38           N  
ATOM    153  CA  LYS A  20      -9.169   2.780 -16.513  1.00 18.26           C  
ATOM    154  C   LYS A  20      -8.776   3.306 -15.135  1.00 18.42           C  
ATOM    155  O   LYS A  20      -7.785   4.022 -14.985  1.00 20.54           O  
ATOM    156  CB  LYS A  20      -9.006   1.259 -16.555  1.00 19.57           C  
ATOM    157  CG  LYS A  20      -9.486   0.603 -17.842  1.00 25.79           C  
ATOM    158  CD  LYS A  20      -9.808  -0.857 -17.606  1.00 28.06           C  
ATOM    159  CE  LYS A  20     -10.262  -1.545 -18.882  1.00 33.59           C  
ATOM    160  NZ  LYS A  20      -9.089  -2.075 -19.631  1.00 32.12           N  
ATOM    161  N   GLU A  21      -9.569   2.948 -14.135  1.00 20.16           N  
ATOM    162  CA  GLU A  21      -9.258   3.297 -12.764  1.00 18.70           C  
ATOM    163  C   GLU A  21      -8.854   2.032 -12.039  1.00 15.91           C  
ATOM    164  O   GLU A  21      -9.462   0.974 -12.243  1.00 16.47           O  
ATOM    165  CB  GLU A  21     -10.484   3.903 -12.091  1.00 20.71           C  
ATOM    166  CG  GLU A  21     -10.991   5.145 -12.795  1.00 25.41           C  
ATOM    167  CD  GLU A  21     -10.129   6.343 -12.503  1.00 28.43           C  
ATOM    168  OE1 GLU A  21     -10.171   6.823 -11.350  1.00 36.57           O  
ATOM    169  OE2 GLU A  21      -9.400   6.796 -13.413  1.00 31.03           O  
ATOM    170  N   ALA A  22      -7.830   2.133 -11.198  1.00 15.51           N  
ATOM    171  CA  ALA A  22      -7.391   0.979 -10.411  1.00 14.86           C  
ATOM    172  C   ALA A  22      -6.857   1.376  -9.039  1.00 12.47           C  
ATOM    173  O   ALA A  22      -6.323   2.478  -8.848  1.00 12.99           O  
ATOM    174  CB  ALA A  22      -6.360   0.166 -11.161  1.00 12.74           C  
ATOM    175  N   LEU A  23      -6.970   0.446  -8.096  1.00 10.96           N  
ATOM    176  CA  LEU A  23      -6.535   0.688  -6.729  1.00 10.74           C  
ATOM    177  C   LEU A  23      -5.084   0.239  -6.518  1.00 12.86           C  
ATOM    178  O   LEU A  23      -4.722  -0.914  -6.827  1.00 12.78           O  
ATOM    179  CB  LEU A  23      -7.459  -0.067  -5.767  1.00 14.45           C  
ATOM    180  CG  LEU A  23      -7.174   0.007  -4.268  1.00 13.42           C  
ATOM    181  CD1 LEU A  23      -7.544   1.368  -3.713  1.00 15.76           C  
ATOM    182  CD2 LEU A  23      -7.908  -1.111  -3.499  1.00 13.14           C  
ATOM    183  N   LEU A  24      -4.254   1.130  -5.975  1.00 11.18           N  
ATOM    184  CA  LEU A  24      -2.890   0.755  -5.586  1.00 11.22           C  
ATOM    185  C   LEU A  24      -2.936  -0.030  -4.274  1.00 13.15           C  
ATOM    186  O   LEU A  24      -3.147   0.545  -3.201  1.00 12.54           O  
ATOM    187  CB  LEU A  24      -2.012   1.990  -5.427  1.00 11.43           C  
ATOM    188  CG  LEU A  24      -1.700   2.779  -6.696  1.00 14.28           C  
ATOM    189  CD1 LEU A  24      -0.825   3.970  -6.349  1.00 11.84           C  
ATOM    190  CD2 LEU A  24      -1.034   1.876  -7.747  1.00 14.79           C  
ATOM    191  N   ASN A  25      -2.725  -1.343  -4.361  1.00  9.89           N  
ATOM    192  CA  ASN A  25      -3.000  -2.241  -3.246  1.00  9.64           C  
ATOM    193  C   ASN A  25      -1.750  -2.996  -2.821  1.00 11.14           C  
ATOM    194  O   ASN A  25      -1.412  -4.008  -3.435  1.00 10.54           O  
ATOM    195  CB  ASN A  25      -4.090  -3.237  -3.671  1.00 10.90           C  
ATOM    196  CG  ASN A  25      -4.635  -4.059  -2.512  1.00 12.46           C  
ATOM    197  OD1 ASN A  25      -3.995  -4.197  -1.476  1.00 11.95           O  
ATOM    198  ND2 ASN A  25      -5.831  -4.622  -2.695  1.00 13.74           N  
ATOM    199  N   THR A  26      -1.078  -2.534  -1.765  1.00  8.85           N  
ATOM    200  CA  THR A  26       0.139  -3.203  -1.283  1.00 10.10           C  
ATOM    201  C   THR A  26      -0.138  -4.565  -0.655  1.00  9.87           C  
ATOM    202  O   THR A  26       0.784  -5.357  -0.426  1.00 11.52           O  
ATOM    203  CB  THR A  26       0.929  -2.323  -0.307  1.00  8.19           C  
ATOM    204  OG1 THR A  26       0.126  -2.055   0.852  1.00  9.40           O  
ATOM    205  CG2 THR A  26       1.338  -1.013  -0.978  1.00  8.57           C  
ATOM    206  N   GLY A  27      -1.411  -4.833  -0.375  1.00  9.71           N  
ATOM    207  CA  GLY A  27      -1.829  -6.124   0.136  1.00 10.40           C  
ATOM    208  C   GLY A  27      -1.987  -7.194  -0.938  1.00 13.58           C  
ATOM    209  O   GLY A  27      -2.224  -8.355  -0.619  1.00 14.32           O  
ATOM    210  N   ALA A  28      -1.845  -6.811  -2.202  1.00 12.15           N  
ATOM    211  CA  ALA A  28      -2.014  -7.735  -3.328  1.00 13.00           C  
ATOM    212  C   ALA A  28      -0.666  -8.026  -3.993  1.00 12.60           C  
ATOM    213  O   ALA A  28       0.067  -7.097  -4.331  1.00 10.77           O  
ATOM    214  CB  ALA A  28      -2.967  -7.148  -4.328  1.00 11.85           C  
ATOM    215  N   ASP A  29      -0.343  -9.301  -4.202  1.00 12.41           N  
ATOM    216  CA  ASP A  29       0.926  -9.649  -4.842  1.00 12.54           C  
ATOM    217  C   ASP A  29       0.926  -9.287  -6.321  1.00 12.43           C  
ATOM    218  O   ASP A  29       1.923  -8.806  -6.861  1.00 12.28           O  
ATOM    219  CB  ASP A  29       1.191 -11.154  -4.736  1.00 14.15           C  
ATOM    220  CG  ASP A  29       1.132 -11.676  -3.313  1.00 17.13           C  
ATOM    221  OD1 ASP A  29       0.740 -12.855  -3.141  1.00 21.27           O  
ATOM    222  OD2 ASP A  29       1.496 -10.938  -2.365  1.00 14.46           O  
ATOM    223  N   ASP A  30      -0.205  -9.534  -6.967  1.00 11.67           N  
ATOM    224  CA  ASP A  30      -0.310  -9.433  -8.413  1.00 13.93           C  
ATOM    225  C   ASP A  30      -1.349  -8.419  -8.843  1.00 13.71           C  
ATOM    226  O   ASP A  30      -2.206  -7.994  -8.051  1.00 14.79           O  
ATOM    227  CB  ASP A  30      -0.677 -10.800  -9.006  1.00 14.86           C  
ATOM    228  CG  ASP A  30       0.320 -11.876  -8.657  1.00 18.62           C  
ATOM    229  OD1 ASP A  30      -0.123 -12.953  -8.205  1.00 26.11           O  
ATOM    230  OD2 ASP A  30       1.541 -11.641  -8.805  1.00 18.80           O  
ATOM    231  N   THR A  31      -1.301  -8.065 -10.118  1.00 11.40           N  
ATOM    232  CA  THR A  31      -2.205  -7.067 -10.679  1.00 11.45           C  
ATOM    233  C   THR A  31      -3.349  -7.780 -11.405  1.00 13.59           C  
ATOM    234  O   THR A  31      -3.114  -8.617 -12.271  1.00 12.33           O  
ATOM    235  CB  THR A  31      -1.418  -6.128 -11.612  1.00 12.03           C  
ATOM    236  OG1 THR A  31      -0.510  -5.341 -10.819  1.00 11.83           O  
ATOM    237  CG2 THR A  31      -2.342  -5.206 -12.422  1.00 12.14           C  
ATOM    238  N   VAL A  32      -4.584  -7.487 -10.996  1.00 13.99           N  
ATOM    239  CA  VAL A  32      -5.771  -8.109 -11.582  1.00 13.86           C  
ATOM    240  C   VAL A  32      -6.679  -7.030 -12.164  1.00 12.91           C  
ATOM    241  O   VAL A  32      -7.031  -6.065 -11.490  1.00 15.40           O  
ATOM    242  CB  VAL A  32      -6.567  -8.932 -10.550  1.00 16.33           C  
ATOM    243  CG1 VAL A  32      -7.770  -9.575 -11.215  1.00 19.47           C  
ATOM    244  CG2 VAL A  32      -5.684 -10.011  -9.903  1.00 17.17           C  
ATOM    245  N   LEU A  33      -7.068  -7.213 -13.418  1.00 14.29           N  
ATOM    246  CA  LEU A  33      -7.896  -6.245 -14.129  1.00 17.76           C  
ATOM    247  C   LEU A  33      -9.151  -6.936 -14.659  1.00 19.24           C  
ATOM    248  O   LEU A  33      -9.106  -8.119 -15.008  1.00 17.70           O  
ATOM    249  CB  LEU A  33      -7.117  -5.616 -15.287  1.00 20.81           C  
ATOM    250  CG  LEU A  33      -5.908  -4.746 -14.925  1.00 18.92           C  
ATOM    251  CD1 LEU A  33      -5.339  -4.032 -16.154  1.00 25.37           C  
ATOM    252  CD2 LEU A  33      -6.271  -3.749 -13.871  1.00 19.09           C  
ATOM    253  N   GLU A  34     -10.272  -6.217 -14.682  1.00 17.75           N  
ATOM    254  CA  GLU A  34     -11.511  -6.756 -15.243  1.00 22.06           C  
ATOM    255  C   GLU A  34     -11.264  -7.194 -16.683  1.00 24.68           C  
ATOM    256  O   GLU A  34     -10.268  -6.788 -17.290  1.00 24.32           O  
ATOM    257  CB  GLU A  34     -12.606  -5.698 -15.227  1.00 23.22           C  
ATOM    258  CG  GLU A  34     -12.919  -5.116 -13.871  1.00 24.13           C  
ATOM    259  CD  GLU A  34     -13.955  -4.020 -13.961  0.62 27.33           C  
ATOM    260  OE1 GLU A  34     -14.925  -4.188 -14.731  0.75 24.42           O  
ATOM    261  OE2 GLU A  34     -13.792  -2.988 -13.280  0.78 27.51           O  
ATOM    262  N   GLU A  35     -12.157  -8.011 -17.234  1.00 25.51           N  
ATOM    263  CA  GLU A  35     -11.941  -8.548 -18.581  1.00 22.99           C  
ATOM    264  C   GLU A  35     -11.592  -7.450 -19.595  1.00 25.22           C  
ATOM    265  O   GLU A  35     -12.266  -6.416 -19.679  1.00 24.72           O  
ATOM    266  CB  GLU A  35     -13.138  -9.363 -19.064  0.00 23.98           C  
ATOM    267  CG  GLU A  35     -12.899 -10.030 -20.406  0.83 24.52           C  
ATOM    268  CD  GLU A  35     -11.647 -10.903 -20.424  0.86 20.06           C  
ATOM    269  OE1 GLU A  35     -11.530 -11.806 -19.571  0.67 17.60           O  
ATOM    270  OE2 GLU A  35     -10.787 -10.694 -21.304  0.45 21.89           O  
ATOM    271  N   VAL A  36     -10.488  -7.665 -20.305  1.00 24.03           N  
ATOM    272  CA  VAL A  36     -10.009  -6.754 -21.343  1.00 22.43           C  
ATOM    273  C   VAL A  36      -9.299  -7.610 -22.376  1.00 23.64           C  
ATOM    274  O   VAL A  36      -8.599  -8.564 -22.028  1.00 23.37           O  
ATOM    275  CB  VAL A  36      -9.109  -5.606 -20.786  1.00 22.16           C  
ATOM    276  CG1 VAL A  36      -7.986  -6.143 -19.907  1.00 21.80           C  
ATOM    277  CG2 VAL A  36      -8.539  -4.780 -21.915  1.00 26.06           C  
ATOM    278  N   ASN A  37      -9.509  -7.299 -23.650  1.00 19.45           N  
ATOM    279  CA  ASN A  37      -9.097  -8.195 -24.716  1.00 23.89           C  
ATOM    280  C   ASN A  37      -7.641  -7.950 -25.097  1.00 21.98           C  
ATOM    281  O   ASN A  37      -7.348  -7.576 -26.229  1.00 24.48           O  
ATOM    282  CB  ASN A  37     -10.020  -8.024 -25.935  1.00 20.83           C  
ATOM    283  CG  ASN A  37      -9.903  -9.165 -26.932  0.78 21.49           C  
ATOM    284  OD1 ASN A  37      -9.259 -10.183 -26.666  0.72 19.34           O  
ATOM    285  ND2 ASN A  37     -10.536  -9.001 -28.088  0.57 23.03           N  
ATOM    286  N   LEU A  38      -6.732  -8.151 -24.147  1.00 19.13           N  
ATOM    287  CA  LEU A  38      -5.302  -8.016 -24.428  1.00 19.43           C  
ATOM    288  C   LEU A  38      -4.914  -8.990 -25.532  1.00 15.65           C  
ATOM    289  O   LEU A  38      -5.425 -10.101 -25.578  1.00 19.29           O  
ATOM    290  CB  LEU A  38      -4.481  -8.304 -23.169  1.00 16.02           C  
ATOM    291  CG  LEU A  38      -4.637  -7.282 -22.047  1.00 16.63           C  
ATOM    292  CD1 LEU A  38      -3.665  -7.605 -20.911  1.00 13.79           C  
ATOM    293  CD2 LEU A  38      -4.406  -5.882 -22.576  1.00 21.45           C  
ATOM    294  N   PRO A  39      -4.002  -8.580 -26.430  1.00 18.82           N  
ATOM    295  CA  PRO A  39      -3.660  -9.455 -27.555  1.00 17.08           C  
ATOM    296  C   PRO A  39      -2.614 -10.511 -27.220  1.00 15.43           C  
ATOM    297  O   PRO A  39      -1.849 -10.371 -26.250  1.00 14.84           O  
ATOM    298  CB  PRO A  39      -3.079  -8.482 -28.582  1.00 20.29           C  
ATOM    299  CG  PRO A  39      -2.457  -7.403 -27.752  1.00 18.28           C  
ATOM    300  CD  PRO A  39      -3.387  -7.247 -26.556  1.00 21.90           C  
ATOM    301  N   GLY A  40      -2.588 -11.567 -28.026  1.00 16.62           N  
ATOM    302  CA  GLY A  40      -1.517 -12.542 -27.975  1.00 18.11           C  
ATOM    303  C   GLY A  40      -1.686 -13.669 -26.983  1.00 16.97           C  
ATOM    304  O   GLY A  40      -2.770 -13.871 -26.415  1.00 17.98           O  
ATOM    305  N   ARG A  41      -0.596 -14.404 -26.774  1.00 16.43           N  
ATOM    306  CA  ARG A  41      -0.586 -15.586 -25.925  1.00 18.68           C  
ATOM    307  C   ARG A  41      -0.764 -15.233 -24.447  1.00 17.20           C  
ATOM    308  O   ARG A  41      -0.422 -14.133 -24.003  1.00 13.78           O  
ATOM    309  CB  ARG A  41       0.720 -16.361 -26.131  1.00 22.17           C  
ATOM    310  CG  ARG A  41       0.815 -17.672 -25.368  1.00 26.90           C  
ATOM    311  CD  ARG A  41       1.969 -18.510 -25.881  1.00 35.11           C  
ATOM    312  NE  ARG A  41       3.200 -17.733 -25.981  1.00 31.03           N  
ATOM    313  CZ  ARG A  41       3.885 -17.561 -27.107  1.00 29.50           C  
ATOM    314  NH1 ARG A  41       3.465 -18.125 -28.239  1.00 29.78           N  
ATOM    315  NH2 ARG A  41       5.001 -16.835 -27.099  1.00 33.19           N  
ATOM    316  N   TRP A  42      -1.320 -16.179 -23.705  1.00 17.10           N  
ATOM    317  CA  TRP A  42      -1.532 -16.032 -22.275  1.00 16.36           C  
ATOM    318  C   TRP A  42      -1.525 -17.429 -21.703  1.00 19.09           C  
ATOM    319  O   TRP A  42      -1.627 -18.402 -22.445  1.00 17.89           O  
ATOM    320  CB  TRP A  42      -2.869 -15.350 -22.005  1.00 15.75           C  
ATOM    321  CG  TRP A  42      -4.012 -16.039 -22.680  1.00 21.40           C  
ATOM    322  CD1 TRP A  42      -4.545 -15.741 -23.903  1.00 24.10           C  
ATOM    323  CD2 TRP A  42      -4.757 -17.153 -22.178  1.00 21.60           C  
ATOM    324  NE1 TRP A  42      -5.577 -16.605 -24.192  1.00 25.05           N  
ATOM    325  CE2 TRP A  42      -5.724 -17.483 -23.151  1.00 24.19           C  
ATOM    326  CE3 TRP A  42      -4.699 -17.905 -21.001  1.00 20.42           C  
ATOM    327  CZ2 TRP A  42      -6.638 -18.524 -22.971  1.00 26.40           C  
ATOM    328  CZ3 TRP A  42      -5.599 -18.945 -20.830  1.00 25.36           C  
ATOM    329  CH2 TRP A  42      -6.554 -19.244 -21.808  1.00 24.66           C  
ATOM    330  N   LYS A  43      -1.399 -17.544 -20.389  1.00 18.43           N  
ATOM    331  CA  LYS A  43      -1.500 -18.851 -19.771  1.00 19.58           C  
ATOM    332  C   LYS A  43      -2.478 -18.774 -18.612  1.00 19.77           C  
ATOM    333  O   LYS A  43      -2.681 -17.699 -18.045  1.00 14.41           O  
ATOM    334  CB  LYS A  43      -0.127 -19.354 -19.340  0.98 20.47           C  
ATOM    335  CG  LYS A  43       0.524 -18.583 -18.212  0.87 20.54           C  
ATOM    336  CD  LYS A  43       2.033 -18.789 -18.263  0.46 23.93           C  
ATOM    337  CE  LYS A  43       2.609 -19.058 -16.889  0.69 25.16           C  
ATOM    338  NZ  LYS A  43       4.096 -19.107 -16.945  0.48 28.50           N  
ATOM    339  N   PRO A  44      -3.126 -19.900 -18.296  1.00 20.95           N  
ATOM    340  CA  PRO A  44      -4.111 -19.877 -17.214  1.00 20.95           C  
ATOM    341  C   PRO A  44      -3.407 -19.666 -15.881  1.00 19.03           C  
ATOM    342  O   PRO A  44      -2.251 -20.084 -15.707  1.00 18.27           O  
ATOM    343  CB  PRO A  44      -4.735 -21.280 -17.285  1.00 24.82           C  
ATOM    344  CG  PRO A  44      -3.684 -22.125 -17.900  1.00 25.19           C  
ATOM    345  CD  PRO A  44      -3.011 -21.235 -18.910  1.00 23.26           C  
ATOM    346  N   LYS A  45      -4.085 -18.987 -14.961  1.00 18.55           N  
ATOM    347  CA  LYS A  45      -3.568 -18.799 -13.622  1.00 16.32           C  
ATOM    348  C   LYS A  45      -4.737 -18.825 -12.652  1.00 18.24           C  
ATOM    349  O   LYS A  45      -5.816 -18.331 -12.979  1.00 14.83           O  
ATOM    350  CB  LYS A  45      -2.828 -17.464 -13.510  1.00 17.95           C  
ATOM    351  CG  LYS A  45      -2.174 -17.267 -12.138  1.00 20.16           C  
ATOM    352  CD  LYS A  45      -1.259 -16.051 -12.087  1.00 21.75           C  
ATOM    353  CE  LYS A  45      -0.731 -15.820 -10.675  1.00 22.47           C  
ATOM    354  NZ  LYS A  45       0.191 -16.873 -10.175  1.00 25.46           N  
ATOM    355  N   LEU A  46      -4.520 -19.400 -11.471  1.00 15.11           N  
ATOM    356  CA  LEU A  46      -5.522 -19.397 -10.409  1.00 13.96           C  
ATOM    357  C   LEU A  46      -5.169 -18.322  -9.387  1.00 17.78           C  
ATOM    358  O   LEU A  46      -4.014 -18.218  -8.960  1.00 19.49           O  
ATOM    359  CB  LEU A  46      -5.572 -20.766  -9.726  1.00 15.66           C  
ATOM    360  CG  LEU A  46      -5.977 -21.942 -10.602  1.00 17.98           C  
ATOM    361  CD1 LEU A  46      -5.716 -23.261  -9.891  1.00 23.75           C  
ATOM    362  CD2 LEU A  46      -7.437 -21.818 -10.959  1.00 19.36           C  
ATOM    363  N   ILE A  47      -6.151 -17.509  -9.009  1.00 13.07           N  
ATOM    364  CA  ILE A  47      -5.946 -16.478  -7.998  1.00 13.97           C  
ATOM    365  C   ILE A  47      -6.961 -16.663  -6.883  1.00 15.58           C  
ATOM    366  O   ILE A  47      -7.907 -17.434  -7.023  1.00 14.14           O  
ATOM    367  CB  ILE A  47      -6.126 -15.067  -8.568  1.00 14.06           C  
ATOM    368  CG1 ILE A  47      -7.498 -14.939  -9.234  1.00 17.83           C  
ATOM    369  CG2 ILE A  47      -4.989 -14.729  -9.522  1.00 16.07           C  
ATOM    370  CD1 ILE A  47      -7.928 -13.500  -9.516  1.00 22.09           C  
ATOM    371  N   GLY A  48      -6.775 -15.934  -5.789  1.00 15.82           N  
ATOM    372  CA  GLY A  48      -7.664 -16.053  -4.646  1.00 19.39           C  
ATOM    373  C   GLY A  48      -7.336 -17.312  -3.880  1.00 16.53           C  
ATOM    374  O   GLY A  48      -6.191 -17.508  -3.458  1.00 19.56           O  
ATOM    375  N   GLY A  49      -8.339 -18.165  -3.698  1.00 15.52           N  
ATOM    376  CA  GLY A  49      -8.126 -19.444  -3.046  1.00 14.64           C  
ATOM    377  C   GLY A  49      -9.010 -19.671  -1.835  1.00 16.37           C  
ATOM    378  O   GLY A  49      -9.333 -20.814  -1.501  1.00 15.23           O  
ATOM    379  N   ILE A  50      -9.414 -18.599  -1.162  1.00 13.32           N  
ATOM    380  CA  ILE A  50     -10.212 -18.797   0.045  1.00 15.91           C  
ATOM    381  C   ILE A  50     -11.644 -19.097  -0.366  1.00 14.88           C  
ATOM    382  O   ILE A  50     -12.355 -18.226  -0.890  1.00 15.76           O  
ATOM    383  CB  ILE A  50     -10.127 -17.606   1.031  1.00 17.61           C  
ATOM    384  CG1 ILE A  50      -8.681 -17.406   1.490  1.00 21.33           C  
ATOM    385  CG2 ILE A  50     -10.999 -17.865   2.250  1.00 16.68           C  
ATOM    386  CD1 ILE A  50      -8.494 -16.232   2.439  1.00 25.32           C  
ATOM    387  N   GLY A  51     -12.043 -20.355  -0.174  1.00 11.69           N  
ATOM    388  CA  GLY A  51     -13.361 -20.818  -0.570  1.00 14.75           C  
ATOM    389  C   GLY A  51     -13.331 -21.386  -1.973  1.00 15.05           C  
ATOM    390  O   GLY A  51     -14.353 -21.863  -2.493  1.00 13.25           O  
ATOM    391  N   GLY A  52     -12.148 -21.338  -2.582  1.00 15.22           N  
ATOM    392  CA  GLY A  52     -11.975 -21.788  -3.949  1.00 15.85           C  
ATOM    393  C   GLY A  52     -11.184 -20.744  -4.711  1.00 13.55           C  
ATOM    394  O   GLY A  52     -11.058 -19.602  -4.260  1.00 12.65           O  
ATOM    395  N   PHE A  53     -10.632 -21.142  -5.849  1.00 12.08           N  
ATOM    396  CA  PHE A  53      -9.841 -20.228  -6.661  1.00 11.93           C  
ATOM    397  C   PHE A  53     -10.663 -19.661  -7.796  1.00 13.16           C  
ATOM    398  O   PHE A  53     -11.741 -20.164  -8.113  1.00 12.18           O  
ATOM    399  CB  PHE A  53      -8.604 -20.938  -7.219  1.00 13.75           C  
ATOM    400  CG  PHE A  53      -7.593 -21.298  -6.163  1.00 14.72           C  
ATOM    401  CD1 PHE A  53      -6.482 -20.495  -5.950  1.00 17.21           C  
ATOM    402  CD2 PHE A  53      -7.776 -22.415  -5.358  1.00 18.19           C  
ATOM    403  CE1 PHE A  53      -5.549 -20.816  -4.963  1.00 18.39           C  
ATOM    404  CE2 PHE A  53      -6.847 -22.740  -4.372  1.00 17.49           C  
ATOM    405  CZ  PHE A  53      -5.738 -21.935  -4.179  1.00 19.78           C  
ATOM    406  N   VAL A  54     -10.141 -18.599  -8.390  1.00 11.71           N  
ATOM    407  CA  VAL A  54     -10.732 -17.999  -9.574  1.00 10.95           C  
ATOM    408  C   VAL A  54      -9.720 -18.132 -10.690  1.00 15.07           C  
ATOM    409  O   VAL A  54      -8.527 -17.869 -10.492  1.00 12.89           O  
ATOM    410  CB  VAL A  54     -11.092 -16.530  -9.331  1.00 13.88           C  
ATOM    411  CG1 VAL A  54     -11.354 -15.792 -10.650  1.00 17.09           C  
ATOM    412  CG2 VAL A  54     -12.311 -16.441  -8.415  1.00 14.90           C  
ATOM    413  N   LYS A  55     -10.184 -18.557 -11.858  1.00 14.02           N  
ATOM    414  CA  LYS A  55      -9.278 -18.704 -12.982  1.00 15.19           C  
ATOM    415  C   LYS A  55      -9.211 -17.424 -13.797  1.00 16.70           C  
ATOM    416  O   LYS A  55     -10.240 -16.826 -14.134  1.00 15.76           O  
ATOM    417  CB  LYS A  55      -9.716 -19.862 -13.856  1.00 18.79           C  
ATOM    418  CG  LYS A  55      -8.786 -20.141 -15.006  1.00 22.18           C  
ATOM    419  CD  LYS A  55      -9.287 -21.354 -15.776  1.00 25.62           C  
ATOM    420  CE  LYS A  55      -9.778 -22.458 -14.831  1.00 27.11           C  
ATOM    421  NZ  LYS A  55     -10.009 -23.738 -15.563  1.00 36.42           N  
ATOM    422  N   VAL A  56      -7.992 -16.992 -14.108  1.00 14.92           N  
ATOM    423  CA  VAL A  56      -7.818 -15.777 -14.892  1.00 12.40           C  
ATOM    424  C   VAL A  56      -6.788 -16.053 -15.975  1.00 11.85           C  
ATOM    425  O   VAL A  56      -6.225 -17.147 -16.033  1.00 14.44           O  
ATOM    426  CB  VAL A  56      -7.361 -14.591 -14.023  1.00 14.72           C  
ATOM    427  CG1 VAL A  56      -8.439 -14.208 -13.005  1.00 15.77           C  
ATOM    428  CG2 VAL A  56      -6.035 -14.919 -13.324  1.00 13.33           C  
ATOM    429  N   ARG A  57      -6.561 -15.065 -16.833  1.00 13.24           N  
ATOM    430  CA  ARG A  57      -5.551 -15.178 -17.876  1.00 13.18           C  
ATOM    431  C   ARG A  57      -4.345 -14.325 -17.514  1.00 11.78           C  
ATOM    432  O   ARG A  57      -4.482 -13.115 -17.288  1.00 14.59           O  
ATOM    433  CB  ARG A  57      -6.127 -14.710 -19.208  1.00 12.73           C  
ATOM    434  CG  ARG A  57      -7.309 -15.571 -19.645  1.00 16.37           C  
ATOM    435  CD  ARG A  57      -7.580 -15.463 -21.139  1.00 17.74           C  
ATOM    436  NE  ARG A  57      -7.622 -14.088 -21.619  1.00 20.22           N  
ATOM    437  CZ  ARG A  57      -8.584 -13.219 -21.326  1.00 17.88           C  
ATOM    438  NH1 ARG A  57      -8.551 -11.991 -21.832  1.00 24.09           N  
ATOM    439  NH2 ARG A  57      -9.574 -13.568 -20.524  1.00 19.79           N  
ATOM    440  N   GLN A  58      -3.176 -14.961 -17.470  1.00 12.61           N  
ATOM    441  CA  GLN A  58      -1.917 -14.263 -17.209  1.00 11.88           C  
ATOM    442  C   GLN A  58      -1.311 -13.806 -18.531  1.00 11.40           C  
ATOM    443  O   GLN A  58      -1.005 -14.635 -19.403  1.00 11.41           O  
ATOM    444  CB  GLN A  58      -0.931 -15.188 -16.505  1.00 14.27           C  
ATOM    445  CG  GLN A  58       0.469 -14.564 -16.336  1.00 15.20           C  
ATOM    446  CD  GLN A  58       1.408 -15.439 -15.525  1.00 21.86           C  
ATOM    447  OE1 GLN A  58       0.968 -16.321 -14.782  1.00 21.03           O  
ATOM    448  NE2 GLN A  58       2.708 -15.201 -15.664  1.00 16.84           N  
ATOM    449  N   TYR A  59      -1.156 -12.491 -18.677  1.00 11.09           N  
ATOM    450  CA  TYR A  59      -0.453 -11.903 -19.814  1.00 12.97           C  
ATOM    451  C   TYR A  59       0.864 -11.334 -19.321  1.00 13.67           C  
ATOM    452  O   TYR A  59       0.910 -10.665 -18.276  1.00 10.73           O  
ATOM    453  CB  TYR A  59      -1.283 -10.793 -20.444  1.00 12.50           C  
ATOM    454  CG  TYR A  59      -2.494 -11.300 -21.193  1.00 15.33           C  
ATOM    455  CD1 TYR A  59      -3.721 -11.443 -20.557  1.00 15.11           C  
ATOM    456  CD2 TYR A  59      -2.408 -11.620 -22.548  1.00 15.92           C  
ATOM    457  CE1 TYR A  59      -4.844 -11.900 -21.255  1.00 14.33           C  
ATOM    458  CE2 TYR A  59      -3.517 -12.077 -23.250  1.00 16.05           C  
ATOM    459  CZ  TYR A  59      -4.725 -12.216 -22.598  1.00 17.12           C  
ATOM    460  OH  TYR A  59      -5.829 -12.664 -23.290  1.00 18.12           O  
ATOM    461  N   ASP A  60       1.941 -11.613 -20.049  1.00 12.42           N  
ATOM    462  CA  ASP A  60       3.254 -11.135 -19.606  1.00 13.42           C  
ATOM    463  C   ASP A  60       3.754  -9.982 -20.454  1.00 12.62           C  
ATOM    464  O   ASP A  60       3.284  -9.762 -21.587  1.00 12.74           O  
ATOM    465  CB  ASP A  60       4.279 -12.271 -19.623  1.00 14.68           C  
ATOM    466  CG  ASP A  60       3.941 -13.374 -18.643  1.00 18.13           C  
ATOM    467  OD1 ASP A  60       3.484 -13.062 -17.521  1.00 17.33           O  
ATOM    468  OD2 ASP A  60       4.123 -14.560 -19.003  1.00 18.43           O  
ATOM    469  N   GLN A  61       4.711  -9.253 -19.892  1.00 12.01           N  
ATOM    470  CA  GLN A  61       5.374  -8.150 -20.581  1.00 14.06           C  
ATOM    471  C   GLN A  61       4.390  -7.176 -21.227  1.00 14.08           C  
ATOM    472  O   GLN A  61       4.551  -6.767 -22.382  1.00 14.35           O  
ATOM    473  CB  GLN A  61       6.403  -8.703 -21.577  1.00 18.14           C  
ATOM    474  CG  GLN A  61       7.584  -9.359 -20.849  1.00 21.44           C  
ATOM    475  CD  GLN A  61       8.326 -10.359 -21.708  1.00 30.76           C  
ATOM    476  OE1 GLN A  61       7.981 -10.581 -22.866  1.00 33.58           O  
ATOM    477  NE2 GLN A  61       9.356 -10.969 -21.142  1.00 35.54           N  
ATOM    478  N   VAL A  62       3.358  -6.815 -20.468  1.00 10.77           N  
ATOM    479  CA  VAL A  62       2.304  -5.945 -20.966  1.00 11.97           C  
ATOM    480  C   VAL A  62       2.678  -4.491 -20.745  1.00 12.26           C  
ATOM    481  O   VAL A  62       3.082  -4.111 -19.640  1.00 11.83           O  
ATOM    482  CB  VAL A  62       0.952  -6.254 -20.264  1.00 11.39           C  
ATOM    483  CG1 VAL A  62      -0.165  -5.348 -20.800  1.00 12.36           C  
ATOM    484  CG2 VAL A  62       0.587  -7.729 -20.434  1.00 13.44           C  
ATOM    485  N   PRO A  63       2.584  -3.669 -21.806  1.00 14.42           N  
ATOM    486  CA  PRO A  63       2.783  -2.233 -21.589  1.00 15.12           C  
ATOM    487  C   PRO A  63       1.570  -1.640 -20.894  1.00 17.77           C  
ATOM    488  O   PRO A  63       0.423  -1.825 -21.336  1.00 16.44           O  
ATOM    489  CB  PRO A  63       2.947  -1.670 -23.013  1.00 18.05           C  
ATOM    490  CG  PRO A  63       2.342  -2.695 -23.916  1.00 18.59           C  
ATOM    491  CD  PRO A  63       2.531  -4.021 -23.238  1.00 16.58           C  
ATOM    492  N   ILE A  64       1.830  -0.977 -19.777  1.00 15.90           N  
ATOM    493  CA  ILE A  64       0.779  -0.344 -19.008  1.00 19.17           C  
ATOM    494  C   ILE A  64       1.314   0.968 -18.451  1.00 20.42           C  
ATOM    495  O   ILE A  64       2.494   1.077 -18.120  1.00 18.18           O  
ATOM    496  CB  ILE A  64       0.227  -1.312 -17.909  1.00 19.91           C  
ATOM    497  CG1 ILE A  64      -0.815  -0.609 -17.030  1.00 22.45           C  
ATOM    498  CG2 ILE A  64       1.357  -1.894 -17.079  1.00 19.57           C  
ATOM    499  CD1 ILE A  64      -1.763  -1.568 -16.321  1.00 23.98           C  
ATOM    500  N   GLU A  65       0.461   1.987 -18.405  1.00 20.35           N  
ATOM    501  CA  GLU A  65       0.864   3.272 -17.880  1.00 21.89           C  
ATOM    502  C   GLU A  65       0.092   3.508 -16.586  1.00 20.29           C  
ATOM    503  O   GLU A  65      -1.123   3.332 -16.547  1.00 20.63           O  
ATOM    504  CB  GLU A  65       0.541   4.357 -18.902  1.00 23.47           C  
ATOM    505  CG  GLU A  65       1.248   5.678 -18.684  1.00 26.79           C  
ATOM    506  CD  GLU A  65       0.956   6.638 -19.821  1.00 35.53           C  
ATOM    507  OE1 GLU A  65      -0.107   6.477 -20.462  1.00 36.46           O  
ATOM    508  OE2 GLU A  65       1.785   7.531 -20.087  1.00 35.57           O  
ATOM    509  N   ILE A  66       0.809   3.863 -15.525  1.00 23.48           N  
ATOM    510  CA  ILE A  66       0.205   4.089 -14.215  1.00 23.72           C  
ATOM    511  C   ILE A  66       0.614   5.474 -13.761  1.00 25.02           C  
ATOM    512  O   ILE A  66       1.806   5.754 -13.602  1.00 25.87           O  
ATOM    513  CB  ILE A  66       0.689   3.045 -13.183  1.00 22.72           C  
ATOM    514  CG1 ILE A  66       0.346   1.631 -13.654  1.00 20.10           C  
ATOM    515  CG2 ILE A  66       0.091   3.320 -11.796  1.00 24.70           C  
ATOM    516  CD1 ILE A  66       0.931   0.534 -12.800  1.00 22.45           C  
ATOM    517  N   CYS A  67      -0.372   6.345 -13.565  1.00 28.45           N  
ATOM    518  CA  CYS A  67      -0.101   7.740 -13.216  1.00 30.47           C  
ATOM    519  C   CYS A  67       0.924   8.360 -14.150  1.00 31.30           C  
ATOM    520  O   CYS A  67       1.807   9.102 -13.711  1.00 36.18           O  
ATOM    521  CB  CYS A  67       0.397   7.854 -11.776  1.00 32.75           C  
ATOM    522  SG  CYS A  67      -0.893   8.170 -10.594  1.00 42.35           S  
ATOM    523  N   GLY A  68       0.819   8.032 -15.432  1.00 29.87           N  
ATOM    524  CA  GLY A  68       1.734   8.557 -16.428  1.00 34.49           C  
ATOM    525  C   GLY A  68       3.137   7.981 -16.370  1.00 33.16           C  
ATOM    526  O   GLY A  68       4.055   8.528 -16.986  1.00 35.84           O  
ATOM    527  N   HIS A  69       3.315   6.890 -15.627  1.00 29.89           N  
ATOM    528  CA  HIS A  69       4.579   6.156 -15.649  1.00 28.07           C  
ATOM    529  C   HIS A  69       4.413   4.916 -16.525  1.00 24.53           C  
ATOM    530  O   HIS A  69       3.684   3.990 -16.157  1.00 22.56           O  
ATOM    531  CB  HIS A  69       4.996   5.723 -14.236  1.00 27.25           C  
ATOM    532  CG  HIS A  69       5.647   6.800 -13.434  1.00 30.18           C  
ATOM    533  ND1 HIS A  69       5.032   8.000 -13.144  1.00 34.12           N  
ATOM    534  CD2 HIS A  69       6.867   6.853 -12.833  1.00 27.03           C  
ATOM    535  CE1 HIS A  69       5.837   8.745 -12.413  1.00 32.40           C  
ATOM    536  NE2 HIS A  69       6.957   8.073 -12.212  1.00 33.90           N  
ATOM    537  N   LYS A  70       5.086   4.893 -17.673  1.00 20.91           N  
ATOM    538  CA  LYS A  70       5.026   3.729 -18.554  1.00 22.48           C  
ATOM    539  C   LYS A  70       5.934   2.602 -18.064  1.00 18.47           C  
ATOM    540  O   LYS A  70       7.140   2.787 -17.921  1.00 19.72           O  
ATOM    541  CB  LYS A  70       5.399   4.111 -19.994  1.00 24.14           C  
ATOM    542  CG  LYS A  70       4.294   4.851 -20.752  1.00 26.53           C  
ATOM    543  CD  LYS A  70       4.667   5.083 -22.224  1.00 30.43           C  
ATOM    544  CE  LYS A  70       5.586   6.295 -22.392  1.00 33.02           C  
ATOM    545  NZ  LYS A  70       6.025   6.502 -23.821  1.00 33.13           N  
ATOM    546  N   VAL A  71       5.352   1.431 -17.811  1.00 16.99           N  
ATOM    547  CA  VAL A  71       6.140   0.276 -17.383  1.00 14.73           C  
ATOM    548  C   VAL A  71       5.719  -0.978 -18.127  1.00 13.50           C  
ATOM    549  O   VAL A  71       4.794  -0.945 -18.944  1.00 13.83           O  
ATOM    550  CB  VAL A  71       6.021   0.026 -15.870  1.00 17.53           C  
ATOM    551  CG1 VAL A  71       6.735   1.121 -15.095  1.00 17.81           C  
ATOM    552  CG2 VAL A  71       4.553  -0.089 -15.457  1.00 15.46           C  
ATOM    553  N   ILE A  72       6.394  -2.083 -17.829  1.00 11.67           N  
ATOM    554  CA  ILE A  72       6.142  -3.357 -18.505  1.00 11.73           C  
ATOM    555  C   ILE A  72       5.952  -4.401 -17.418  1.00 11.82           C  
ATOM    556  O   ILE A  72       6.743  -4.466 -16.476  1.00 12.46           O  
ATOM    557  CB  ILE A  72       7.348  -3.777 -19.385  1.00 11.44           C  
ATOM    558  CG1 ILE A  72       7.545  -2.805 -20.556  1.00 14.19           C  
ATOM    559  CG2 ILE A  72       7.184  -5.204 -19.876  1.00 12.99           C  
ATOM    560  CD1 ILE A  72       6.375  -2.743 -21.503  1.00 15.71           C  
ATOM    561  N   GLY A  73       4.902  -5.211 -17.502  1.00 11.58           N  
ATOM    562  CA  GLY A  73       4.724  -6.196 -16.452  1.00 11.96           C  
ATOM    563  C   GLY A  73       3.594  -7.158 -16.682  1.00 11.64           C  
ATOM    564  O   GLY A  73       2.878  -7.072 -17.689  1.00 11.78           O  
ATOM    565  N   THR A  74       3.448  -8.082 -15.742  1.00  9.38           N  
ATOM    566  CA  THR A  74       2.452  -9.135 -15.837  1.00  9.55           C  
ATOM    567  C   THR A  74       1.109  -8.612 -15.354  1.00 11.98           C  
ATOM    568  O   THR A  74       1.004  -7.972 -14.307  1.00 10.76           O  
ATOM    569  CB  THR A  74       2.902 -10.386 -15.047  1.00 14.00           C  
ATOM    570  OG1 THR A  74       3.979 -11.013 -15.749  1.00 15.00           O  
ATOM    571  CG2 THR A  74       1.760 -11.393 -14.894  1.00 13.16           C  
ATOM    572  N   VAL A  75       0.072  -8.863 -16.138  1.00  9.94           N  
ATOM    573  CA  VAL A  75      -1.271  -8.456 -15.758  1.00 11.64           C  
ATOM    574  C   VAL A  75      -2.181  -9.662 -15.874  1.00 14.14           C  
ATOM    575  O   VAL A  75      -2.133 -10.398 -16.876  1.00 13.96           O  
ATOM    576  CB  VAL A  75      -1.779  -7.320 -16.668  1.00 14.67           C  
ATOM    577  CG1 VAL A  75      -3.159  -6.865 -16.229  1.00 19.11           C  
ATOM    578  CG2 VAL A  75      -0.813  -6.141 -16.636  1.00 16.34           C  
ATOM    579  N   LEU A  76      -2.997  -9.875 -14.844  1.00 11.58           N  
ATOM    580  CA  LEU A  76      -3.929 -10.983 -14.831  1.00 11.62           C  
ATOM    581  C   LEU A  76      -5.283 -10.394 -15.235  1.00 15.63           C  
ATOM    582  O   LEU A  76      -5.682  -9.328 -14.749  1.00 17.83           O  
ATOM    583  CB  LEU A  76      -3.981 -11.625 -13.440  1.00 14.31           C  
ATOM    584  CG  LEU A  76      -2.630 -11.979 -12.812  1.00 12.77           C  
ATOM    585  CD1 LEU A  76      -2.779 -12.625 -11.443  1.00 12.63           C  
ATOM    586  CD2 LEU A  76      -1.839 -12.898 -13.741  1.00 10.12           C  
ATOM    587  N   VAL A  77      -5.971 -11.049 -16.165  1.00 14.02           N  
ATOM    588  CA  VAL A  77      -7.211 -10.479 -16.684  1.00 14.17           C  
ATOM    589  C   VAL A  77      -8.359 -11.442 -16.433  1.00 14.32           C  
ATOM    590  O   VAL A  77      -8.282 -12.609 -16.844  1.00 14.35           O  
ATOM    591  CB  VAL A  77      -7.127 -10.195 -18.190  1.00 15.54           C  
ATOM    592  CG1 VAL A  77      -8.453  -9.672 -18.671  1.00 16.37           C  
ATOM    593  CG2 VAL A  77      -6.034  -9.168 -18.467  1.00 14.22           C  
ATOM    594  N   GLY A  78      -9.392 -10.921 -15.761  1.00 21.30           N  
ATOM    595  CA  GLY A  78     -10.577 -11.654 -15.330  1.00 27.56           C  
ATOM    596  C   GLY A  78     -11.308 -10.952 -14.180  1.00 26.18           C  
ATOM    597  O   GLY A  78     -10.932  -9.843 -13.763  1.00 26.12           O  
ATOM    598  N   PRO A  79     -12.382 -11.579 -13.665  1.00 27.08           N  
ATOM    599  CA  PRO A  79     -13.213 -11.045 -12.587  1.00 26.28           C  
ATOM    600  C   PRO A  79     -12.437 -10.510 -11.399  1.00 27.40           C  
ATOM    601  O   PRO A  79     -11.561 -11.193 -10.865  1.00 26.63           O  
ATOM    602  CB  PRO A  79     -14.002 -12.276 -12.134  1.00 27.24           C  
ATOM    603  CG  PRO A  79     -14.223 -13.025 -13.367  1.00 22.36           C  
ATOM    604  CD  PRO A  79     -13.021 -12.752 -14.282  1.00 31.00           C  
ATOM    605  N   THR A  80     -12.764  -9.289 -10.999  1.00 31.15           N  
ATOM    606  CA  THR A  80     -12.272  -8.709  -9.756  1.00 29.46           C  
ATOM    607  C   THR A  80     -13.244  -7.606  -9.349  1.00 30.49           C  
ATOM    608  O   THR A  80     -13.685  -6.824 -10.210  1.00 31.07           O  
ATOM    609  CB  THR A  80     -10.811  -8.166  -9.868  1.00 25.03           C  
ATOM    610  OG1 THR A  80     -10.438  -7.544  -8.637  1.00 24.03           O  
ATOM    611  CG2 THR A  80     -10.666  -7.137 -10.997  1.00 26.66           C  
ATOM    612  N   PRO A  81     -13.595  -7.546  -8.043  1.00 30.66           N  
ATOM    613  CA  PRO A  81     -14.569  -6.565  -7.542  1.00 31.38           C  
ATOM    614  C   PRO A  81     -14.196  -5.131  -7.936  1.00 32.15           C  
ATOM    615  O   PRO A  81     -15.066  -4.256  -7.928  1.00 38.38           O  
ATOM    616  CB  PRO A  81     -14.517  -6.764  -6.019  1.00 30.54           C  
ATOM    617  CG  PRO A  81     -14.133  -8.222  -5.857  1.00 31.11           C  
ATOM    618  CD  PRO A  81     -13.117  -8.436  -6.962  1.00 28.34           C  
ATOM    619  N   ALA A  82     -12.923  -4.917  -8.276  1.00 31.86           N  
ATOM    620  CA  ALA A  82     -12.452  -3.713  -8.964  1.00 30.50           C  
ATOM    621  C   ALA A  82     -11.011  -3.941  -9.435  1.00 30.32           C  
ATOM    622  O   ALA A  82     -10.297  -4.737  -8.827  1.00 30.46           O  
ATOM    623  CB  ALA A  82     -12.529  -2.494  -8.042  1.00 31.88           C  
ATOM    624  N   ASN A  83     -10.602  -3.266 -10.515  1.00 28.25           N  
ATOM    625  CA  ASN A  83      -9.216  -3.303 -11.020  1.00 22.54           C  
ATOM    626  C   ASN A  83      -8.207  -3.065  -9.898  1.00 17.63           C  
ATOM    627  O   ASN A  83      -8.334  -2.096  -9.155  1.00 18.14           O  
ATOM    628  CB  ASN A  83      -8.994  -2.206 -12.072  1.00 19.74           C  
ATOM    629  CG  ASN A  83      -9.725  -2.465 -13.386  1.00 23.94           C  
ATOM    630  OD1 ASN A  83      -9.791  -3.595 -13.869  1.00 25.22           O  
ATOM    631  ND2 ASN A  83     -10.251  -1.401 -13.981  1.00 20.09           N  
ATOM    632  N   VAL A  84      -7.208  -3.935  -9.767  1.00 13.62           N  
ATOM    633  CA  VAL A  84      -6.276  -3.824  -8.643  1.00 13.46           C  
ATOM    634  C   VAL A  84      -4.815  -3.848  -9.106  1.00 15.53           C  
ATOM    635  O   VAL A  84      -4.387  -4.817  -9.738  1.00 14.04           O  
ATOM    636  CB  VAL A  84      -6.467  -4.970  -7.640  1.00 14.19           C  
ATOM    637  CG1 VAL A  84      -5.486  -4.821  -6.484  1.00 15.74           C  
ATOM    638  CG2 VAL A  84      -7.883  -4.993  -7.091  1.00 20.73           C  
ATOM    639  N   ILE A  85      -4.053  -2.801  -8.776  1.00 11.82           N  
ATOM    640  CA  ILE A  85      -2.616  -2.786  -9.063  1.00 11.63           C  
ATOM    641  C   ILE A  85      -1.891  -3.399  -7.872  1.00 12.01           C  
ATOM    642  O   ILE A  85      -1.950  -2.858  -6.758  1.00 10.78           O  
ATOM    643  CB  ILE A  85      -2.057  -1.355  -9.280  1.00 10.82           C  
ATOM    644  CG1 ILE A  85      -2.829  -0.602 -10.369  0.92 11.94           C  
ATOM    645  CG2 ILE A  85      -0.581  -1.420  -9.646  0.99 11.19           C  
ATOM    646  CD1 ILE A  85      -3.054  -1.386 -11.639  0.76 12.71           C  
ATOM    647  N   GLY A  86      -1.214  -4.523  -8.092  1.00  9.28           N  
ATOM    648  CA  GLY A  86      -0.496  -5.194  -7.015  1.00  9.08           C  
ATOM    649  C   GLY A  86       0.970  -4.827  -6.931  1.00  8.85           C  
ATOM    650  O   GLY A  86       1.455  -3.971  -7.684  1.00  9.82           O  
ATOM    651  N   ARG A  87       1.679  -5.470  -6.008  1.00  7.54           N  
ATOM    652  CA  ARG A  87       3.074  -5.141  -5.762  1.00  8.12           C  
ATOM    653  C   ARG A  87       3.950  -5.342  -6.991  1.00  9.42           C  
ATOM    654  O   ARG A  87       4.939  -4.633  -7.174  1.00  9.85           O  
ATOM    655  CB  ARG A  87       3.610  -5.979  -4.610  1.00 10.51           C  
ATOM    656  CG  ARG A  87       3.029  -5.599  -3.246  1.00  9.59           C  
ATOM    657  CD  ARG A  87       3.699  -6.373  -2.101  1.00 10.45           C  
ATOM    658  NE  ARG A  87       3.477  -7.815  -2.187  1.00 10.39           N  
ATOM    659  CZ  ARG A  87       4.344  -8.682  -2.707  1.00 12.38           C  
ATOM    660  NH1 ARG A  87       4.053  -9.976  -2.742  1.00 11.45           N  
ATOM    661  NH2 ARG A  87       5.507  -8.262  -3.182  1.00 11.23           N  
ATOM    662  N   ASN A  88       3.587  -6.296  -7.840  1.00  9.44           N  
ATOM    663  CA  ASN A  88       4.393  -6.561  -9.029  1.00 10.39           C  
ATOM    664  C   ASN A  88       4.563  -5.332  -9.923  1.00 10.81           C  
ATOM    665  O   ASN A  88       5.661  -5.077 -10.430  1.00 12.58           O  
ATOM    666  CB  ASN A  88       3.836  -7.750  -9.820  1.00  9.67           C  
ATOM    667  CG  ASN A  88       2.630  -7.372 -10.649  1.00 11.12           C  
ATOM    668  OD1 ASN A  88       1.583  -6.999 -10.101  1.00 11.18           O  
ATOM    669  ND2 ASN A  88       2.763  -7.459 -11.969  1.00 10.88           N  
ATOM    670  N   LEU A  89       3.503  -4.542 -10.096  1.00 10.01           N  
ATOM    671  CA  LEU A  89       3.615  -3.327 -10.905  1.00 12.16           C  
ATOM    672  C   LEU A  89       4.120  -2.142 -10.095  1.00 10.36           C  
ATOM    673  O   LEU A  89       4.773  -1.237 -10.629  1.00  9.84           O  
ATOM    674  CB  LEU A  89       2.294  -2.975 -11.602  1.00 11.31           C  
ATOM    675  CG  LEU A  89       1.823  -3.947 -12.682  1.00 12.93           C  
ATOM    676  CD1 LEU A  89       0.757  -3.290 -13.558  1.00 14.66           C  
ATOM    677  CD2 LEU A  89       2.982  -4.379 -13.534  1.00 11.83           C  
ATOM    678  N   MET A  90       3.837  -2.138  -8.803  1.00  9.08           N  
ATOM    679  CA  MET A  90       4.393  -1.086  -7.971  1.00 10.65           C  
ATOM    680  C   MET A  90       5.925  -1.070  -7.939  1.00 11.59           C  
ATOM    681  O   MET A  90       6.520   0.004  -7.922  1.00 12.87           O  
ATOM    682  CB  MET A  90       3.748  -1.084  -6.578  1.00 12.17           C  
ATOM    683  CG  MET A  90       2.373  -0.454  -6.627  1.00 12.45           C  
ATOM    684  SD  MET A  90       1.591  -0.254  -5.010  1.00 17.64           S  
ATOM    685  CE  MET A  90       0.998  -1.908  -4.741  1.00 10.46           C  
ATOM    686  N   THR A  91       6.572  -2.237  -7.972  1.00 11.08           N  
ATOM    687  CA  THR A  91       8.040  -2.255  -8.029  1.00 13.07           C  
ATOM    688  C   THR A  91       8.543  -1.687  -9.359  1.00 14.92           C  
ATOM    689  O   THR A  91       9.591  -1.045  -9.413  1.00 16.14           O  
ATOM    690  CB  THR A  91       8.630  -3.662  -7.826  1.00 14.40           C  
ATOM    691  OG1 THR A  91       8.216  -4.505  -8.905  1.00 13.77           O  
ATOM    692  CG2 THR A  91       8.180  -4.258  -6.490  1.00 13.71           C  
ATOM    693  N   GLN A  92       7.787  -1.918 -10.426  1.00 13.95           N  
ATOM    694  CA  GLN A  92       8.165  -1.429 -11.752  1.00 14.66           C  
ATOM    695  C   GLN A  92       8.125   0.086 -11.830  1.00 17.65           C  
ATOM    696  O   GLN A  92       8.963   0.698 -12.498  1.00 17.84           O  
ATOM    697  CB  GLN A  92       7.263  -2.023 -12.843  1.00 11.28           C  
ATOM    698  CG  GLN A  92       7.361  -3.536 -12.945  1.00 12.95           C  
ATOM    699  CD  GLN A  92       8.795  -3.986 -13.038  1.00 17.51           C  
ATOM    700  OE1 GLN A  92       9.320  -4.644 -12.134  1.00 22.43           O  
ATOM    701  NE2 GLN A  92       9.456  -3.591 -14.102  1.00  9.75           N  
ATOM    702  N   ILE A  93       7.153   0.704 -11.166  1.00 14.55           N  
ATOM    703  CA  ILE A  93       7.074   2.161 -11.199  1.00 15.45           C  
ATOM    704  C   ILE A  93       7.946   2.798 -10.113  1.00 17.07           C  
ATOM    705  O   ILE A  93       8.034   4.029 -10.021  1.00 19.72           O  
ATOM    706  CB  ILE A  93       5.609   2.689 -11.116  1.00 17.48           C  
ATOM    707  CG1 ILE A  93       4.977   2.371  -9.764  1.00 17.16           C  
ATOM    708  CG2 ILE A  93       4.749   2.109 -12.227  1.00 18.91           C  
ATOM    709  CD1 ILE A  93       3.607   3.027  -9.591  1.00 19.24           C  
ATOM    710  N   GLY A  94       8.583   1.968  -9.289  1.00 14.72           N  
ATOM    711  CA  GLY A  94       9.447   2.464  -8.225  1.00 16.51           C  
ATOM    712  C   GLY A  94       8.648   3.062  -7.072  1.00 19.17           C  
ATOM    713  O   GLY A  94       9.066   4.046  -6.447  1.00 19.55           O  
ATOM    714  N   CYS A  95       7.494   2.457  -6.798  1.00 14.85           N  
ATOM    715  CA  CYS A  95       6.609   2.901  -5.726  1.00 14.87           C  
ATOM    716  C   CYS A  95       6.969   2.234  -4.408  1.00 15.17           C  
ATOM    717  O   CYS A  95       7.039   1.005  -4.317  1.00 17.57           O  
ATOM    718  CB  CYS A  95       5.154   2.603  -6.090  1.00 15.97           C  
ATOM    719  SG  CYS A  95       3.956   3.112  -4.843  1.00 18.52           S  
ATOM    720  N   THR A  96       7.186   3.046  -3.380  1.00 13.78           N  
ATOM    721  CA  THR A  96       7.550   2.538  -2.061  1.00 13.31           C  
ATOM    722  C   THR A  96       6.588   3.077  -1.006  1.00 12.56           C  
ATOM    723  O   THR A  96       5.885   4.063  -1.257  1.00 12.87           O  
ATOM    724  CB  THR A  96       8.984   2.963  -1.693  1.00 16.62           C  
ATOM    725  OG1 THR A  96       9.090   4.391  -1.764  1.00 16.45           O  
ATOM    726  CG2 THR A  96       9.983   2.333  -2.657  1.00 18.39           C  
ATOM    727  N   LEU A  97       6.560   2.430   0.161  1.00 13.08           N  
ATOM    728  CA  LEU A  97       5.877   2.981   1.331  1.00 12.25           C  
ATOM    729  C   LEU A  97       6.904   3.770   2.140  1.00 13.73           C  
ATOM    730  O   LEU A  97       8.010   3.282   2.379  1.00 16.83           O  
ATOM    731  CB  LEU A  97       5.279   1.873   2.196  1.00 13.02           C  
ATOM    732  CG  LEU A  97       4.046   1.156   1.645  1.00 13.53           C  
ATOM    733  CD1 LEU A  97       3.829  -0.193   2.332  1.00 13.37           C  
ATOM    734  CD2 LEU A  97       2.819   2.044   1.812  1.00 14.01           C  
ATOM    735  N   ASN A  98       6.546   4.980   2.560  1.00 14.67           N  
ATOM    736  CA  ASN A  98       7.494   5.823   3.297  1.00 17.12           C  
ATOM    737  C   ASN A  98       6.876   6.449   4.535  1.00 17.53           C  
ATOM    738  O   ASN A  98       5.757   6.956   4.479  1.00 15.73           O  
ATOM    739  CB  ASN A  98       8.029   6.928   2.389  1.00 15.06           C  
ATOM    740  CG  ASN A  98       8.788   6.383   1.199  1.00 17.46           C  
ATOM    741  OD1 ASN A  98      10.010   6.245   1.240  1.00 24.15           O  
ATOM    742  ND2 ASN A  98       8.068   6.063   0.140  1.00 17.06           N  
ATOM    743  N   PHE A  99       7.603   6.387   5.649  1.00 17.44           N  
ATOM    744  CA  PHE A  99       7.220   7.097   6.866  1.00 17.85           C  
ATOM    745  C   PHE A  99       8.397   7.237   7.817  1.00 24.34           C  
ATOM    746  O   PHE A  99       8.281   7.893   8.849  1.00 24.69           O  
ATOM    747  CB  PHE A  99       6.028   6.431   7.561  1.00 17.29           C  
ATOM    748  CG  PHE A  99       6.265   5.007   7.971  1.00 20.74           C  
ATOM    749  CD1 PHE A  99       6.159   3.972   7.048  1.00 20.20           C  
ATOM    750  CD2 PHE A  99       6.545   4.696   9.296  1.00 22.73           C  
ATOM    751  CE1 PHE A  99       6.369   2.656   7.433  1.00 22.43           C  
ATOM    752  CE2 PHE A  99       6.749   3.387   9.686  1.00 25.35           C  
ATOM    753  CZ  PHE A  99       6.662   2.366   8.758  1.00 23.66           C  
TER     754      PHE A  99                                                      
HETATM  755  O   HOH A 101       5.380  -7.938 -13.338  1.00  8.86           O  
HETATM  756  O   HOH A 102      -1.120   9.091   4.403  1.00 13.17           O  
HETATM  757  O   HOH A 103     -13.570 -20.583 -10.161  1.00 11.84           O  
HETATM  758  O   HOH A 104       0.005  -9.404 -12.163  1.00 10.34           O  
HETATM  759  O   HOH A 105      -4.863   7.655  -1.391  1.00 14.45           O  
HETATM  760  O   HOH A 106       1.297  -7.947  -0.295  1.00 12.67           O  
HETATM  761  O   HOH A 107       1.733 -13.171 -22.317  1.00 16.11           O  
HETATM  762  O   HOH A 108       0.114 -11.690 -25.051  1.00 13.86           O  
HETATM  763  O   HOH A 109       5.900  -9.772 -17.419  1.00 13.61           O  
HETATM  764  O   HOH A 110       7.664  -6.544 -14.828  1.00 15.10           O  
HETATM  765  O   HOH A 111      -0.991  -8.492 -24.281  1.00 14.58           O  
HETATM  766  O   HOH A 112      -1.957 -21.105 -11.294  1.00 18.42           O  
HETATM  767  O   HOH A 113      -5.659  10.864   0.278  1.00 20.83           O  
HETATM  768  O   HOH A 114     -12.162   1.605 -14.818  1.00 21.24           O  
HETATM  769  O   HOH A 115      -2.157 -11.294  -2.967  1.00 18.60           O  
HETATM  770  O   HOH A 116     -11.687   6.865  -0.528  1.00 21.51           O  
HETATM  771  O   HOH A 117       5.703 -12.261 -13.915  1.00 24.10           O  
HETATM  772  O   HOH A 118       4.527  -9.483  -6.254  1.00 21.66           O  
HETATM  773  O   HOH A 119      -0.242 -10.170  -0.237  1.00 17.98           O  
HETATM  774  O   HOH A 120     -10.289   7.499  -3.835  1.00 17.46           O  
HETATM  775  O   HOH A 121       2.260 -11.138 -11.319  1.00 17.08           O  
HETATM  776  O   HOH A 122       4.705   0.828 -21.196  1.00 18.99           O  
HETATM  777  O   HOH A 123       1.142  -9.807 -23.184  1.00 12.07           O  
HETATM  778  O   HOH A 124      -2.708  14.352  -0.173  1.00 22.40           O  
HETATM  779  O   HOH A 125      -5.886   9.232  -3.561  1.00 18.61           O  
HETATM  780  O   HOH A 126      -2.462 -11.124  -5.954  1.00 21.22           O  
HETATM  781  O   HOH A 127      -2.518  12.035  -2.244  1.00 21.42           O  
HETATM  782  O   HOH A 128     -16.386 -11.011 -16.802  1.00 23.35           O  
HETATM  783  O   HOH A 129     -15.066 -23.339  -4.735  1.00 20.02           O  
HETATM  784  O   HOH A 130     -14.803  -9.025 -15.489  1.00 27.52           O  
HETATM  785  O   HOH A 131       9.928   5.427  -4.096  1.00 20.32           O  
HETATM  786  O   HOH A 132       7.736  -6.927 -10.827  1.00 25.47           O  
HETATM  787  O   HOH A 133       1.924 -14.146 -12.111  1.00 18.07           O  
HETATM  788  O   HOH A 134      -4.438   9.198 -11.372  1.00 23.96           O  
HETATM  789  O   HOH A 135      -9.080   8.540   6.516  1.00 21.92           O  
HETATM  790  O   HOH A 136      -5.408 -12.944 -25.929  1.00 21.76           O  
HETATM  791  O   HOH A 137      -8.450  -4.389  -3.790  1.00 19.68           O  
HETATM  792  O   HOH A 138      -4.481   8.190  -5.776  1.00 20.71           O  
HETATM  793  O   HOH A 139      -0.218  -5.975 -24.708  1.00 22.25           O  
HETATM  794  O   HOH A 140      -7.063 -15.031 -27.325  1.00 20.83           O  
HETATM  795  O   HOH A 141       4.827 -17.625 -14.843  1.00 30.70           O  
HETATM  796  O   HOH A 142      -0.586 -22.091 -16.220  1.00 28.43           O  
HETATM  797  O   HOH A 143       3.918 -12.944  -8.098  1.00 27.49           O  
HETATM  798  O   HOH A 144     -13.011   2.916  -4.420  1.00 28.56           O  
HETATM  799  O   HOH A 145      -7.047  14.015  -2.967  1.00 31.09           O  
HETATM  800  O   HOH A 146       0.306 -19.256 -14.554  1.00 23.30           O  
HETATM  801  O   HOH A 147     -13.018 -22.531  -7.249  1.00 24.25           O  
HETATM  802  O   HOH A 148       4.496 -14.748 -13.306  1.00 27.12           O  
HETATM  803  O   HOH A 149      -7.793 -11.456 -24.655  1.00 19.94           O  
HETATM  804  O   HOH A 150     -17.973  -5.385 -16.721  1.00 38.07           O  
HETATM  805  O   HOH A 151      -1.284  -1.818 -23.408  1.00 25.75           O  
HETATM  806  O   HOH A 152       0.550  14.299  -1.198  1.00 29.77           O  
HETATM  807  O   HOH A 153       1.543 -15.820 -19.871  1.00 25.27           O  
HETATM  808  O   HOH A 154      11.778   7.649   3.073  1.00 31.01           O  
HETATM  809  O   HOH A 155      -4.091  -9.462   1.311  1.00 27.22           O  
HETATM  810  O   HOH A 156      -5.358  11.732  -2.872  1.00 24.66           O  
HETATM  811  O   HOH A 157     -12.534   5.542  -3.807  1.00 31.19           O  
HETATM  812  O   HOH A 158      -3.173 -15.332  -4.880  1.00 33.21           O  
HETATM  813  O   HOH A 159      -0.394   1.550 -21.974  1.00 25.03           O  
HETATM  814  O   HOH A 160      -2.059   1.589 -24.050  1.00 34.40           O  
HETATM  815  O   HOH A 161     -12.421  -1.534 -11.138  1.00 30.43           O  
HETATM  816  O   HOH A 162     -13.120 -16.154  -2.634  1.00 33.75           O  
HETATM  817  O   HOH A 163     -17.373 -11.793 -14.478  1.00 20.52           O  
HETATM  818  O   HOH A 164      -8.727 -14.132 -24.374  1.00 21.05           O  
HETATM  819  O   HOH A 165     -13.887  -8.361 -12.983  1.00 29.91           O  
HETATM  820  O   HOH A 166      -1.891  -4.147 -24.765  1.00 28.71           O  
HETATM  821  O   HOH A 167      -1.513 -18.880  -9.123  1.00 27.05           O  
HETATM  822  O   HOH A 168       3.766 -15.484 -21.719  1.00 27.57           O  
HETATM  823  O   HOH A 169     -16.875 -21.462  -0.903  1.00 21.60           O  
HETATM  824  O   HOH A 170      -2.365 -18.513 -25.613  1.00 26.64           O  
HETATM  825  O   HOH A 171      -5.818 -17.392 -27.391  1.00 34.47           O  
HETATM  826  O   HOH A 172      -4.233  -9.359  -6.976  1.00 24.63           O  
HETATM  827  O   HOH A 173       9.783   6.005  -9.424  1.00 28.32           O  
HETATM  828  O   HOH A 174       6.377  -5.774 -24.092  1.00 25.23           O  
HETATM  829  O   HOH A 175      -6.973  -5.325 -25.032  1.00 36.66           O  
HETATM  830  O   HOH A 176       7.622  -8.584  -8.907  1.00 31.44           O  
HETATM  831  O   HOH A 177     -11.429   0.793  -4.717  1.00 28.15           O  
HETATM  832  O   HOH A 178       8.990   2.610 -20.349  1.00 26.08           O  
HETATM  833  O   HOH A 179      11.002   0.294  -5.733  1.00 27.27           O  
HETATM  834  O   HOH A 180      -5.246 -11.828 -29.779  1.00 30.21           O  
HETATM  835  O   HOH A 181       5.773 -13.268  -9.334  1.00 34.73           O  
HETATM  836  O   HOH A 182      -0.680  13.775   5.384  1.00 31.87           O  
HETATM  837  O   HOH A 183     -10.931 -23.793  -6.899  1.00 28.58           O  
HETATM  838  O   HOH A 184      -9.190 -15.579  -1.668  1.00 18.78           O  
HETATM  839  O   HOH A 185      11.692  -0.123  -8.204  1.00 25.62           O  
HETATM  840  O   HOH A 186       6.371  -7.320  -6.326  1.00 20.07           O  
HETATM  841  O   HOH A 187       2.943  -7.727 -24.330  1.00 19.13           O  
HETATM  842  O   HOH A 188       2.646   2.201 -22.007  1.00 27.70           O  
HETATM  843  O   HOH A 189     -14.244  -5.337 -18.608  1.00 31.51           O  
HETATM  844  O   HOH A 190     -18.032  -7.520 -17.292  1.00 31.79           O  
HETATM  845  O   HOH A 191      -4.706 -13.968  -5.302  1.00 29.62           O  
HETATM  846  O   HOH A 192      -6.618 -11.954  -5.544  1.00 34.01           O  
HETATM  847  O   HOH A 193      -9.895  -4.073 -17.056  1.00 26.13           O  
HETATM  848  O   HOH A 194       5.648  -3.765 -25.952  1.00 26.91           O  
HETATM  849  O   HOH A 195      -3.329 -17.454  -4.575  1.00 34.98           O  
HETATM  850  O   HOH A 196     -12.411  -1.135 -15.913  1.00 33.50           O  
HETATM  851  O   HOH A 197      10.302   8.652   5.070  1.00 28.87           O  
HETATM  852  O   HOH A 198      -4.580  10.014 -22.878  1.00 43.36           O  
HETATM  853  O   HOH A 199     -11.331  -5.161 -24.311  1.00 27.57           O  
HETATM  854  O   HOH A 200      -4.086  -3.945 -26.524  1.00 35.78           O  
HETATM  855  O   HOH A 201      -4.884 -10.438  -2.552  1.00 32.46           O  
HETATM  856  O   HOH A 202     -14.760  -5.082 -10.913  1.00 28.53           O  
HETATM  857  O   HOH A 203     -11.233 -25.231 -14.804  1.00 31.04           O  
HETATM  858  O   HOH A 204       2.193 -17.023 -12.394  1.00 32.28           O  
HETATM  859  O   HOH A 205     -12.357 -22.614 -11.427  1.00 24.39           O  
HETATM  860  O   HOH A 206     -13.146  10.200   2.911  1.00 26.93           O  
HETATM  861  O   HOH A 207     -10.086 -15.887 -25.730  1.00 22.48           O  
HETATM  862  O   HOH A 208     -12.302 -12.607  -8.548  1.00 20.94           O  
HETATM  863  O   HOH A 209     -18.852 -23.274  -1.211  1.00 26.60           O  
HETATM  864  O   HOH A 210       7.980  -8.664 -16.608  1.00 24.38           O  
HETATM  865  O   HOH A 211      -1.131 -11.467   1.811  1.00 29.11           O  
HETATM  866  O   HOH A 212       6.291 -11.299  -3.795  1.00 27.08           O  
HETATM  867  O   HOH A 213       8.907   5.430 -21.096  1.00 34.46           O  
HETATM  868  O   HOH A 214       2.066 -15.190  -8.727  1.00 34.15           O  
HETATM  869  O   HOH A 215      -6.283 -22.648 -14.442  1.00 30.68           O  
HETATM  870  O   HOH A 216      -6.001  -8.341  -1.920  1.00 31.61           O  
HETATM  871  O   HOH A 217     -10.277 -23.948 -10.634  1.00 33.33           O  
HETATM  872  O   HOH A 218     -16.023  -6.827 -15.039  1.00 31.66           O  
HETATM  873  O   HOH A 219      -6.207  -6.207   0.000  0.50 27.67           O  
HETATM  874  O   HOH A 220      -6.089  12.817  -5.674  1.00 40.25           O  
HETATM  875  O   HOH A 221      -2.268 -16.955  -7.159  1.00 34.42           O  
HETATM  876  O   HOH A 222       4.778 -19.303 -12.574  1.00 41.47           O  
HETATM  877  O   HOH A 223      -0.235  14.539   7.987  1.00 33.89           O  
HETATM  878  O   HOH A 224     -14.865 -10.052  -8.830  1.00 29.84           O  
HETATM  879  O   HOH A 225     -12.001  -3.791 -20.379  1.00 33.69           O  
HETATM  880  O   HOH A 226      11.951 -12.019 -21.373  1.00 40.58           O  
HETATM  881  O   HOH A 227       4.686 -17.473 -18.230  1.00 36.37           O  
HETATM  882  O   HOH A 228      -0.057 -17.824  -6.976  1.00 34.76           O  
HETATM  883  O   HOH A 229     -20.650 -22.647   0.362  1.00 32.45           O  
HETATM  884  O   HOH A 230      -3.445 -23.110 -13.280  1.00 30.72           O  
HETATM  885  O   HOH A 231      11.122   5.831  -7.373  1.00 31.67           O  
HETATM  886  O   HOH A 232       7.349   6.887 -18.224  1.00 30.66           O  
HETATM  887  O   HOH A 233      -6.927 -11.463  -2.108  1.00 41.67           O  
HETATM  888  O   HOH A 234     -14.318  -3.103 -17.657  1.00 33.03           O  
HETATM  889  O   HOH A 235      -0.166 -15.595  -6.990  1.00 36.24           O  
HETATM  890  O   HOH A 236      -2.978 -20.861 -22.951  1.00 31.41           O  
HETATM  891  O   HOH A 237     -10.193 -11.653  -8.358  1.00 32.43           O  
HETATM  892  O   HOH A 238      -6.766 -24.421 -17.083  1.00 43.66           O  
HETATM  893  O   HOH A 239      -6.582 -26.966 -16.543  1.00 42.80           O  
HETATM  894  O   HOH A 240       6.045 -17.444 -25.120  1.00 41.59           O  
HETATM  895  O   HOH A 241       1.348  16.314  -3.022  1.00 43.67           O  
HETATM  896  O   HOH A 242     -12.526   0.741 -11.744  1.00 32.09           O  
MASTER      276    0    0    1    8    0    0    6  895    1    0    8          
END                                                                             



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.