HEADER    ACTIN BINDING                           15-JAN-97   1VII              
TITLE     THERMOSTABLE SUBDOMAIN FROM CHICKEN VILLIN HEADPIECE, NMR, MINIMIZED  
TITLE    2 AVERAGE STRUCTURE                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VILLIN;                                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: THERMOSTABLE SUBDOMAIN;                                    
COMPND   5 SYNONYM: HP-36, R42-76;                                              
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
SOURCE   4 ORGANISM_TAXID: 9031;                                                
SOURCE   5 ORGAN: INTESTINE;                                                    
SOURCE   6 TISSUE: EPITHELIUM;                                                  
SOURCE   7 CELL: EPITHELIAL;                                                    
SOURCE   8 CELLULAR_LOCATION: MICROVILLI;                                       
SOURCE   9 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE  10 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE  11 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE  12 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE  13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  14 EXPRESSION_SYSTEM_PLASMID: PVHP42-76B                                
KEYWDS    ACTIN BINDING, 3 HELIX MOTIF, THERMOSTABLE SUBDOMAIN                  
EXPDTA    SOLUTION NMR                                                          
AUTHOR    C.J.MCKNIGHT                                                          
REVDAT   4   02-MAR-22 1VII    1       REMARK                                   
REVDAT   3   24-FEB-09 1VII    1       VERSN                                    
REVDAT   2   01-APR-03 1VII    1       JRNL                                     
REVDAT   1   12-AUG-97 1VII    0                                                
JRNL        AUTH   C.J.MCKNIGHT,P.T.MATSUDAIRA,P.S.KIM                          
JRNL        TITL   NMR STRUCTURE OF THE 35-RESIDUE VILLIN HEADPIECE SUBDOMAIN.  
JRNL        REF    NAT.STRUCT.BIOL.              V.   4   180 1997              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   9164455                                                      
JRNL        DOI    10.1038/NSB0397-180                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   C.J.MCKNIGHT,D.S.DOERING,P.T.MATSUDAIRA,P.S.KIM              
REMARK   1  TITL   A THERMOSTABLE 35-RESIDUE SUBDOMAIN WITHIN VILLIN HEADPIECE  
REMARK   1  REF    J.MOL.BIOL.                   V. 260   126 1996              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE X-PLOR (R6)1/6 NOE POTENTIAL WAS      
REMARK   3  USED FOR NOE'S INVOLVING NON-STEREOSPECIFICALLY ASSIGNED METHYL,    
REMARK   3  METHYLENE, AND AROMATIC PROTONS. NO ATTRACTIVE POTENTIALS WERE      
REMARK   3  USED IN CALCULATING THE STRUCTURES. THE VAN DER WAALS CUTOFF        
REMARK   3  USED FOR THE X-PLOR REPEL FUNCTION WAS 0.75 ANGSTROMS. AFTER        
REMARK   3  DISTANCE GEOMETRY AND REGULARIZATION, EACH STRUCTURE WAS            
REMARK   3  SUBJECTED TO ONE ROUND OF SIMULATED ANNEALING FROM 2000K TO 100K    
REMARK   3  OVER 2000 STEPS. THIS IS THE AVERAGE OF 29 STRUCTURES MINIMIZED     
REMARK   3  USING ONLY REPULSIVE POTENTIALS.                                    
REMARK   4                                                                      
REMARK   4 1VII COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000177045.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 3.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; CLEANTOCSY; DQFCOSY;        
REMARK 210                                   HSQC; ECOSY; HMQCJ                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AMX500                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR                             
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NO NOE VIOLATIONS > 0.4            
REMARK 210                                   ANGSTROMS, NO ANGLE VIOLATION >    
REMARK 210                                   5 DEG                              
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    LYS A    70     O    LYS A    73              2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A  44      -75.64    -33.48                                   
REMARK 500    ALA A  49       39.36    -79.38                                   
REMARK 500    VAL A  50      -78.92   -140.77                                   
REMARK 500    PHE A  51      -72.80    -79.65                                   
REMARK 500    MET A  53     -121.66    -90.62                                   
REMARK 500    GLN A  66      -77.13    -68.88                                   
REMARK 500    GLN A  67      -36.61    -37.79                                   
REMARK 500    ASN A  68      -73.49    -67.77                                   
REMARK 500    LYS A  70      -80.30    -71.10                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: ABR                                                 
REMARK 800 EVIDENCE_CODE: UNKNOWN                                               
REMARK 800 SITE_DESCRIPTION: RESIDUES IMPLICATED IN ACTIN BINDING.              
DBREF  1VII A   42    76  UNP    P02640   VILI_CHICK     792    826             
SEQRES   1 A   36  MET LEU SER ASP GLU ASP PHE LYS ALA VAL PHE GLY MET          
SEQRES   2 A   36  THR ARG SER ALA PHE ALA ASN LEU PRO LEU TRP LYS GLN          
SEQRES   3 A   36  GLN ASN LEU LYS LYS GLU LYS GLY LEU PHE                      
HELIX    1   1 ASP A   44  LYS A   48  1                                   5    
HELIX    2   2 ARG A   55  PHE A   58  1                                   4    
HELIX    3   3 LEU A   63  GLU A   72  1                                  10    
SITE     1 ABR  7 LYS A  65  LYS A  70  LYS A  71  GLU A  72                    
SITE     2 ABR  7 LYS A  73  LEU A  75  PHE A  76                               
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
ATOM      1  N   MET A  41       1.177 -10.035  -3.493  1.00  2.04           N  
ATOM      2  CA  MET A  41       0.292  -8.839  -3.377  1.00  1.55           C  
ATOM      3  C   MET A  41      -0.488  -8.912  -2.063  1.00  1.22           C  
ATOM      4  O   MET A  41      -1.039  -9.937  -1.709  1.00  1.32           O  
ATOM      5  CB  MET A  41      -0.674  -8.793  -4.565  1.00  1.98           C  
ATOM      6  CG  MET A  41      -0.091  -7.889  -5.657  1.00  2.27           C  
ATOM      7  SD  MET A  41      -0.153  -8.747  -7.255  1.00  3.04           S  
ATOM      8  CE  MET A  41      -0.971  -7.432  -8.193  1.00  3.78           C  
ATOM      9  H1  MET A  41       0.835 -10.784  -2.856  1.00  2.30           H  
ATOM     10  H2  MET A  41       1.166 -10.381  -4.475  1.00  2.37           H  
ATOM     11  H3  MET A  41       2.149  -9.775  -3.227  1.00  2.53           H  
ATOM     12  HA  MET A  41       0.900  -7.946  -3.376  1.00  1.67           H  
ATOM     13  HB2 MET A  41      -0.814  -9.790  -4.956  1.00  2.45           H  
ATOM     14  HB3 MET A  41      -1.623  -8.395  -4.242  1.00  2.38           H  
ATOM     15  HG2 MET A  41      -0.664  -6.978  -5.716  1.00  2.70           H  
ATOM     16  HG3 MET A  41       0.934  -7.651  -5.412  1.00  2.55           H  
ATOM     17  HE1 MET A  41      -0.619  -6.471  -7.850  1.00  4.27           H  
ATOM     18  HE2 MET A  41      -0.742  -7.544  -9.243  1.00  4.03           H  
ATOM     19  HE3 MET A  41      -2.038  -7.498  -8.043  1.00  4.05           H  
ATOM     20  N   LEU A  42      -0.523  -7.832  -1.331  1.00  1.00           N  
ATOM     21  CA  LEU A  42      -1.241  -7.824  -0.028  1.00  0.81           C  
ATOM     22  C   LEU A  42      -2.736  -8.045  -0.241  1.00  0.80           C  
ATOM     23  O   LEU A  42      -3.467  -7.134  -0.574  1.00  0.93           O  
ATOM     24  CB  LEU A  42      -1.019  -6.479   0.660  1.00  0.81           C  
ATOM     25  CG  LEU A  42      -0.044  -6.671   1.819  1.00  0.91           C  
ATOM     26  CD1 LEU A  42       1.375  -6.825   1.270  1.00  1.27           C  
ATOM     27  CD2 LEU A  42      -0.107  -5.458   2.749  1.00  1.25           C  
ATOM     28  H   LEU A  42      -0.060  -7.024  -1.632  1.00  1.12           H  
ATOM     29  HA  LEU A  42      -0.852  -8.611   0.598  1.00  0.97           H  
ATOM     30  HB2 LEU A  42      -0.605  -5.774  -0.049  1.00  1.24           H  
ATOM     31  HB3 LEU A  42      -1.957  -6.102   1.037  1.00  1.12           H  
ATOM     32  HG  LEU A  42      -0.315  -7.561   2.366  1.00  1.26           H  
ATOM     33 HD11 LEU A  42       1.380  -7.567   0.487  1.00  1.77           H  
ATOM     34 HD12 LEU A  42       1.712  -5.881   0.872  1.00  1.84           H  
ATOM     35 HD13 LEU A  42       2.036  -7.137   2.067  1.00  1.44           H  
ATOM     36 HD21 LEU A  42      -0.826  -4.747   2.369  1.00  1.74           H  
ATOM     37 HD22 LEU A  42      -0.404  -5.776   3.736  1.00  1.73           H  
ATOM     38 HD23 LEU A  42       0.865  -4.994   2.798  1.00  1.71           H  
ATOM     39  N   SER A  43      -3.200  -9.245  -0.031  1.00  0.90           N  
ATOM     40  CA  SER A  43      -4.651  -9.514  -0.199  1.00  1.03           C  
ATOM     41  C   SER A  43      -5.409  -8.677   0.829  1.00  0.94           C  
ATOM     42  O   SER A  43      -4.872  -8.326   1.858  1.00  1.10           O  
ATOM     43  CB  SER A  43      -4.927 -10.999   0.040  1.00  1.27           C  
ATOM     44  OG  SER A  43      -3.870 -11.553   0.812  1.00  1.93           O  
ATOM     45  H   SER A  43      -2.597  -9.963   0.253  1.00  1.02           H  
ATOM     46  HA  SER A  43      -4.963  -9.238  -1.196  1.00  1.12           H  
ATOM     47  HB2 SER A  43      -5.860 -11.114   0.575  1.00  1.57           H  
ATOM     48  HB3 SER A  43      -4.994 -11.511  -0.912  1.00  1.74           H  
ATOM     49  HG  SER A  43      -4.087 -12.468   1.000  1.00  2.35           H  
ATOM     50  N   ASP A  44      -6.640  -8.346   0.567  1.00  0.84           N  
ATOM     51  CA  ASP A  44      -7.413  -7.518   1.539  1.00  0.80           C  
ATOM     52  C   ASP A  44      -6.988  -7.854   2.975  1.00  0.77           C  
ATOM     53  O   ASP A  44      -6.282  -7.101   3.614  1.00  0.69           O  
ATOM     54  CB  ASP A  44      -8.906  -7.804   1.367  1.00  0.96           C  
ATOM     55  CG  ASP A  44      -9.451  -6.972   0.204  1.00  1.54           C  
ATOM     56  OD1 ASP A  44      -8.745  -6.836  -0.781  1.00  2.19           O  
ATOM     57  OD2 ASP A  44     -10.564  -6.485   0.319  1.00  2.25           O  
ATOM     58  H   ASP A  44      -7.056  -8.631  -0.273  1.00  0.90           H  
ATOM     59  HA  ASP A  44      -7.224  -6.472   1.347  1.00  0.74           H  
ATOM     60  HB2 ASP A  44      -9.051  -8.854   1.157  1.00  1.47           H  
ATOM     61  HB3 ASP A  44      -9.432  -7.542   2.273  1.00  1.34           H  
ATOM     62  N   GLU A  45      -7.424  -8.973   3.486  1.00  0.88           N  
ATOM     63  CA  GLU A  45      -7.065  -9.365   4.887  1.00  0.90           C  
ATOM     64  C   GLU A  45      -5.631  -8.936   5.230  1.00  0.80           C  
ATOM     65  O   GLU A  45      -5.414  -8.125   6.108  1.00  0.74           O  
ATOM     66  CB  GLU A  45      -7.175 -10.885   5.044  1.00  1.08           C  
ATOM     67  CG  GLU A  45      -8.599 -11.341   4.738  1.00  1.52           C  
ATOM     68  CD  GLU A  45      -9.041 -12.354   5.797  1.00  2.05           C  
ATOM     69  OE1 GLU A  45      -8.236 -12.676   6.657  1.00  2.49           O  
ATOM     70  OE2 GLU A  45     -10.176 -12.792   5.728  1.00  2.71           O  
ATOM     71  H   GLU A  45      -7.999  -9.558   2.951  1.00  0.97           H  
ATOM     72  HA  GLU A  45      -7.748  -8.887   5.572  1.00  0.91           H  
ATOM     73  HB2 GLU A  45      -6.496 -11.366   4.361  1.00  1.60           H  
ATOM     74  HB3 GLU A  45      -6.921 -11.163   6.054  1.00  1.43           H  
ATOM     75  HG2 GLU A  45      -9.265 -10.488   4.746  1.00  2.03           H  
ATOM     76  HG3 GLU A  45      -8.619 -11.809   3.766  1.00  2.14           H  
ATOM     77  N   ASP A  46      -4.648  -9.484   4.564  1.00  0.81           N  
ATOM     78  CA  ASP A  46      -3.236  -9.113   4.886  1.00  0.79           C  
ATOM     79  C   ASP A  46      -3.114  -7.591   4.981  1.00  0.62           C  
ATOM     80  O   ASP A  46      -2.715  -7.058   5.995  1.00  0.61           O  
ATOM     81  CB  ASP A  46      -2.308  -9.640   3.788  1.00  0.85           C  
ATOM     82  CG  ASP A  46      -1.888 -11.074   4.117  1.00  1.05           C  
ATOM     83  OD1 ASP A  46      -2.768 -11.908   4.268  1.00  1.81           O  
ATOM     84  OD2 ASP A  46      -0.696 -11.315   4.213  1.00  1.26           O  
ATOM     85  H   ASP A  46      -4.835 -10.148   3.867  1.00  0.88           H  
ATOM     86  HA  ASP A  46      -2.956  -9.549   5.836  1.00  0.88           H  
ATOM     87  HB2 ASP A  46      -2.828  -9.626   2.841  1.00  0.83           H  
ATOM     88  HB3 ASP A  46      -1.430  -9.016   3.725  1.00  0.82           H  
ATOM     89  N   PHE A  47      -3.473  -6.885   3.946  1.00  0.55           N  
ATOM     90  CA  PHE A  47      -3.401  -5.399   4.003  1.00  0.46           C  
ATOM     91  C   PHE A  47      -3.924  -4.947   5.350  1.00  0.45           C  
ATOM     92  O   PHE A  47      -3.261  -4.261   6.100  1.00  0.48           O  
ATOM     93  CB  PHE A  47      -4.308  -4.823   2.927  1.00  0.49           C  
ATOM     94  CG  PHE A  47      -3.956  -3.376   2.699  1.00  0.51           C  
ATOM     95  CD1 PHE A  47      -2.968  -3.019   1.772  1.00  1.29           C  
ATOM     96  CD2 PHE A  47      -4.615  -2.388   3.437  1.00  1.23           C  
ATOM     97  CE1 PHE A  47      -2.647  -1.670   1.587  1.00  1.38           C  
ATOM     98  CE2 PHE A  47      -4.289  -1.044   3.250  1.00  1.24           C  
ATOM     99  CZ  PHE A  47      -3.305  -0.687   2.327  1.00  0.75           C  
ATOM    100  H   PHE A  47      -3.809  -7.328   3.142  1.00  0.60           H  
ATOM    101  HA  PHE A  47      -2.387  -5.060   3.864  1.00  0.49           H  
ATOM    102  HB2 PHE A  47      -4.188  -5.384   2.023  1.00  0.54           H  
ATOM    103  HB3 PHE A  47      -5.336  -4.890   3.255  1.00  0.54           H  
ATOM    104  HD1 PHE A  47      -2.459  -3.779   1.200  1.00  2.09           H  
ATOM    105  HD2 PHE A  47      -5.378  -2.663   4.149  1.00  2.06           H  
ATOM    106  HE1 PHE A  47      -1.883  -1.385   0.882  1.00  2.22           H  
ATOM    107  HE2 PHE A  47      -4.795  -0.282   3.820  1.00  2.03           H  
ATOM    108  HZ  PHE A  47      -3.051   0.345   2.185  1.00  0.88           H  
ATOM    109  N   LYS A  48      -5.125  -5.331   5.634  1.00  0.52           N  
ATOM    110  CA  LYS A  48      -5.767  -4.949   6.925  1.00  0.61           C  
ATOM    111  C   LYS A  48      -4.723  -4.927   8.050  1.00  0.59           C  
ATOM    112  O   LYS A  48      -4.461  -3.897   8.642  1.00  0.61           O  
ATOM    113  CB  LYS A  48      -6.869  -5.956   7.271  1.00  0.80           C  
ATOM    114  CG  LYS A  48      -8.076  -5.200   7.828  1.00  1.32           C  
ATOM    115  CD  LYS A  48      -9.377  -5.878   7.381  1.00  1.99           C  
ATOM    116  CE  LYS A  48     -10.520  -4.860   7.425  1.00  2.92           C  
ATOM    117  NZ  LYS A  48     -11.330  -5.058   8.661  1.00  3.63           N  
ATOM    118  H   LYS A  48      -5.617  -5.872   4.976  1.00  0.58           H  
ATOM    119  HA  LYS A  48      -6.203  -3.965   6.825  1.00  0.64           H  
ATOM    120  HB2 LYS A  48      -7.157  -6.498   6.380  1.00  1.09           H  
ATOM    121  HB3 LYS A  48      -6.504  -6.648   8.013  1.00  1.01           H  
ATOM    122  HG2 LYS A  48      -8.027  -5.191   8.906  1.00  1.85           H  
ATOM    123  HG3 LYS A  48      -8.060  -4.184   7.463  1.00  1.76           H  
ATOM    124  HD2 LYS A  48      -9.265  -6.249   6.374  1.00  2.45           H  
ATOM    125  HD3 LYS A  48      -9.602  -6.702   8.042  1.00  2.28           H  
ATOM    126  HE2 LYS A  48     -10.113  -3.861   7.424  1.00  3.38           H  
ATOM    127  HE3 LYS A  48     -11.150  -4.992   6.559  1.00  3.26           H  
ATOM    128  HZ1 LYS A  48     -10.779  -5.601   9.356  1.00  3.89           H  
ATOM    129  HZ2 LYS A  48     -11.577  -4.133   9.064  1.00  3.98           H  
ATOM    130  HZ3 LYS A  48     -12.198  -5.580   8.429  1.00  4.03           H  
ATOM    131  N   ALA A  49      -4.130  -6.052   8.358  1.00  0.64           N  
ATOM    132  CA  ALA A  49      -3.109  -6.090   9.450  1.00  0.75           C  
ATOM    133  C   ALA A  49      -1.767  -5.565   8.932  1.00  0.79           C  
ATOM    134  O   ALA A  49      -0.720  -6.085   9.262  1.00  1.31           O  
ATOM    135  CB  ALA A  49      -2.931  -7.534   9.928  1.00  0.91           C  
ATOM    136  H   ALA A  49      -4.357  -6.875   7.874  1.00  0.67           H  
ATOM    137  HA  ALA A  49      -3.441  -5.477  10.275  1.00  0.77           H  
ATOM    138  HB1 ALA A  49      -3.828  -8.095   9.717  1.00  1.30           H  
ATOM    139  HB2 ALA A  49      -2.096  -7.983   9.410  1.00  1.36           H  
ATOM    140  HB3 ALA A  49      -2.742  -7.541  10.992  1.00  1.47           H  
ATOM    141  N   VAL A  50      -1.787  -4.543   8.123  1.00  0.58           N  
ATOM    142  CA  VAL A  50      -0.514  -3.998   7.587  1.00  0.65           C  
ATOM    143  C   VAL A  50      -0.582  -2.467   7.545  1.00  0.63           C  
ATOM    144  O   VAL A  50      -0.049  -1.793   8.404  1.00  0.74           O  
ATOM    145  CB  VAL A  50      -0.291  -4.552   6.183  1.00  0.71           C  
ATOM    146  CG1 VAL A  50       0.935  -3.888   5.559  1.00  0.78           C  
ATOM    147  CG2 VAL A  50      -0.064  -6.066   6.275  1.00  0.87           C  
ATOM    148  H   VAL A  50      -2.636  -4.140   7.863  1.00  0.79           H  
ATOM    149  HA  VAL A  50       0.303  -4.301   8.225  1.00  0.77           H  
ATOM    150  HB  VAL A  50      -1.160  -4.352   5.575  1.00  0.72           H  
ATOM    151 HG11 VAL A  50       1.011  -2.867   5.904  1.00  1.32           H  
ATOM    152 HG12 VAL A  50       1.818  -4.433   5.850  1.00  1.30           H  
ATOM    153 HG13 VAL A  50       0.843  -3.900   4.483  1.00  1.26           H  
ATOM    154 HG21 VAL A  50      -0.725  -6.484   7.019  1.00  1.31           H  
ATOM    155 HG22 VAL A  50      -0.266  -6.521   5.318  1.00  1.30           H  
ATOM    156 HG23 VAL A  50       0.961  -6.258   6.557  1.00  1.48           H  
ATOM    157  N   PHE A  51      -1.236  -1.910   6.562  1.00  0.59           N  
ATOM    158  CA  PHE A  51      -1.330  -0.424   6.489  1.00  0.68           C  
ATOM    159  C   PHE A  51      -2.411   0.061   7.451  1.00  0.73           C  
ATOM    160  O   PHE A  51      -2.139   0.642   8.482  1.00  0.86           O  
ATOM    161  CB  PHE A  51      -1.736   0.011   5.084  1.00  0.71           C  
ATOM    162  CG  PHE A  51      -0.689  -0.385   4.079  1.00  0.63           C  
ATOM    163  CD1 PHE A  51       0.391   0.463   3.821  1.00  1.30           C  
ATOM    164  CD2 PHE A  51      -0.820  -1.585   3.379  1.00  1.31           C  
ATOM    165  CE1 PHE A  51       1.344   0.107   2.863  1.00  1.37           C  
ATOM    166  CE2 PHE A  51       0.126  -1.940   2.415  1.00  1.26           C  
ATOM    167  CZ  PHE A  51       1.210  -1.095   2.156  1.00  0.68           C  
ATOM    168  H   PHE A  51      -1.665  -2.465   5.879  1.00  0.57           H  
ATOM    169  HA  PHE A  51      -0.377   0.019   6.744  1.00  0.79           H  
ATOM    170  HB2 PHE A  51      -2.673  -0.458   4.823  1.00  0.79           H  
ATOM    171  HB3 PHE A  51      -1.857   1.085   5.066  1.00  0.81           H  
ATOM    172  HD1 PHE A  51       0.493   1.389   4.366  1.00  2.09           H  
ATOM    173  HD2 PHE A  51      -1.655  -2.239   3.582  1.00  2.16           H  
ATOM    174  HE1 PHE A  51       2.179   0.760   2.667  1.00  2.22           H  
ATOM    175  HE2 PHE A  51       0.021  -2.866   1.872  1.00  2.06           H  
ATOM    176  HZ  PHE A  51       1.937  -1.368   1.405  1.00  0.75           H  
ATOM    177  N   GLY A  52      -3.645  -0.171   7.096  1.00  0.68           N  
ATOM    178  CA  GLY A  52      -4.783   0.272   7.945  1.00  0.80           C  
ATOM    179  C   GLY A  52      -6.003   0.457   7.041  1.00  0.79           C  
ATOM    180  O   GLY A  52      -7.047  -0.126   7.258  1.00  0.83           O  
ATOM    181  H   GLY A  52      -3.824  -0.633   6.251  1.00  0.61           H  
ATOM    182  HA2 GLY A  52      -4.991  -0.480   8.696  1.00  0.84           H  
ATOM    183  HA3 GLY A  52      -4.541   1.210   8.419  1.00  0.92           H  
ATOM    184  N   MET A  53      -5.867   1.254   6.016  1.00  0.77           N  
ATOM    185  CA  MET A  53      -7.005   1.470   5.080  1.00  0.80           C  
ATOM    186  C   MET A  53      -6.922   0.435   3.952  1.00  0.72           C  
ATOM    187  O   MET A  53      -6.919  -0.756   4.193  1.00  0.82           O  
ATOM    188  CB  MET A  53      -6.923   2.886   4.503  1.00  0.88           C  
ATOM    189  CG  MET A  53      -6.831   3.890   5.656  1.00  1.09           C  
ATOM    190  SD  MET A  53      -7.798   5.365   5.255  1.00  1.51           S  
ATOM    191  CE  MET A  53      -6.600   6.587   5.842  1.00  2.02           C  
ATOM    192  H   MET A  53      -5.011   1.702   5.855  1.00  0.77           H  
ATOM    193  HA  MET A  53      -7.938   1.349   5.611  1.00  0.86           H  
ATOM    194  HB2 MET A  53      -6.046   2.971   3.870  1.00  0.74           H  
ATOM    195  HB3 MET A  53      -7.811   3.090   3.922  1.00  1.00           H  
ATOM    196  HG2 MET A  53      -7.221   3.439   6.557  1.00  1.39           H  
ATOM    197  HG3 MET A  53      -5.798   4.166   5.813  1.00  1.35           H  
ATOM    198  HE1 MET A  53      -5.598   6.224   5.656  1.00  2.35           H  
ATOM    199  HE2 MET A  53      -6.751   7.523   5.321  1.00  2.64           H  
ATOM    200  HE3 MET A  53      -6.732   6.744   6.899  1.00  2.38           H  
ATOM    201  N   THR A  54      -6.838   0.873   2.724  1.00  0.68           N  
ATOM    202  CA  THR A  54      -6.738  -0.094   1.592  1.00  0.67           C  
ATOM    203  C   THR A  54      -5.503   0.244   0.768  1.00  0.63           C  
ATOM    204  O   THR A  54      -4.976   1.331   0.860  1.00  0.76           O  
ATOM    205  CB  THR A  54      -7.985   0.011   0.708  1.00  0.81           C  
ATOM    206  OG1 THR A  54      -8.899   0.934   1.280  1.00  1.27           O  
ATOM    207  CG2 THR A  54      -8.652  -1.360   0.594  1.00  1.20           C  
ATOM    208  H   THR A  54      -6.829   1.835   2.545  1.00  0.75           H  
ATOM    209  HA  THR A  54      -6.645  -1.090   1.975  1.00  0.66           H  
ATOM    210  HB  THR A  54      -7.700   0.349  -0.276  1.00  1.18           H  
ATOM    211  HG1 THR A  54      -9.786   0.680   1.011  1.00  1.69           H  
ATOM    212 HG21 THR A  54      -8.215  -2.034   1.316  1.00  1.64           H  
ATOM    213 HG22 THR A  54      -9.709  -1.261   0.789  1.00  1.58           H  
ATOM    214 HG23 THR A  54      -8.505  -1.752  -0.400  1.00  1.85           H  
ATOM    215  N   ARG A  55      -5.033  -0.659  -0.047  1.00  0.66           N  
ATOM    216  CA  ARG A  55      -3.852  -0.344  -0.865  1.00  0.65           C  
ATOM    217  C   ARG A  55      -4.267   0.735  -1.866  1.00  0.70           C  
ATOM    218  O   ARG A  55      -3.572   1.710  -2.070  1.00  0.69           O  
ATOM    219  CB  ARG A  55      -3.395  -1.613  -1.580  1.00  0.74           C  
ATOM    220  CG  ARG A  55      -1.950  -1.930  -1.173  1.00  0.67           C  
ATOM    221  CD  ARG A  55      -1.181  -2.510  -2.362  1.00  0.96           C  
ATOM    222  NE  ARG A  55      -2.127  -3.218  -3.281  1.00  1.00           N  
ATOM    223  CZ  ARG A  55      -2.969  -4.110  -2.831  1.00  0.93           C  
ATOM    224  NH1 ARG A  55      -2.873  -4.557  -1.609  1.00  0.94           N  
ATOM    225  NH2 ARG A  55      -3.874  -4.606  -3.630  1.00  1.17           N  
ATOM    226  H   ARG A  55      -5.459  -1.533  -0.131  1.00  0.83           H  
ATOM    227  HA  ARG A  55      -3.060   0.028  -0.233  1.00  0.61           H  
ATOM    228  HB2 ARG A  55      -4.037  -2.435  -1.294  1.00  0.84           H  
ATOM    229  HB3 ARG A  55      -3.453  -1.468  -2.639  1.00  0.86           H  
ATOM    230  HG2 ARG A  55      -1.466  -1.021  -0.840  1.00  0.74           H  
ATOM    231  HG3 ARG A  55      -1.955  -2.641  -0.362  1.00  0.86           H  
ATOM    232  HD2 ARG A  55      -0.720  -1.710  -2.911  1.00  1.24           H  
ATOM    233  HD3 ARG A  55      -0.410  -3.183  -1.997  1.00  1.30           H  
ATOM    234  HE  ARG A  55      -2.151  -2.970  -4.229  1.00  1.27           H  
ATOM    235 HH11 ARG A  55      -2.150  -4.226  -1.009  1.00  1.00           H  
ATOM    236 HH12 ARG A  55      -3.528  -5.232  -1.273  1.00  1.12           H  
ATOM    237 HH21 ARG A  55      -3.920  -4.302  -4.581  1.00  1.39           H  
ATOM    238 HH22 ARG A  55      -4.519  -5.289  -3.291  1.00  1.26           H  
ATOM    239  N   SER A  56      -5.424   0.590  -2.458  1.00  0.80           N  
ATOM    240  CA  SER A  56      -5.903   1.628  -3.412  1.00  0.88           C  
ATOM    241  C   SER A  56      -5.852   2.984  -2.709  1.00  0.80           C  
ATOM    242  O   SER A  56      -5.160   3.888  -3.132  1.00  0.87           O  
ATOM    243  CB  SER A  56      -7.342   1.319  -3.829  1.00  0.99           C  
ATOM    244  OG  SER A  56      -7.410   1.228  -5.246  1.00  1.74           O  
ATOM    245  H   SER A  56      -5.986  -0.187  -2.255  1.00  0.85           H  
ATOM    246  HA  SER A  56      -5.265   1.644  -4.283  1.00  0.93           H  
ATOM    247  HB2 SER A  56      -7.651   0.381  -3.399  1.00  1.36           H  
ATOM    248  HB3 SER A  56      -7.995   2.107  -3.476  1.00  1.41           H  
ATOM    249  HG  SER A  56      -8.337   1.176  -5.494  1.00  2.04           H  
ATOM    250  N   ALA A  57      -6.563   3.127  -1.620  1.00  0.71           N  
ATOM    251  CA  ALA A  57      -6.531   4.418  -0.879  1.00  0.70           C  
ATOM    252  C   ALA A  57      -5.098   4.662  -0.409  1.00  0.61           C  
ATOM    253  O   ALA A  57      -4.613   5.776  -0.400  1.00  0.68           O  
ATOM    254  CB  ALA A  57      -7.464   4.346   0.332  1.00  0.73           C  
ATOM    255  H   ALA A  57      -7.104   2.381  -1.285  1.00  0.70           H  
ATOM    256  HA  ALA A  57      -6.842   5.221  -1.532  1.00  0.79           H  
ATOM    257  HB1 ALA A  57      -7.940   3.377   0.364  1.00  1.24           H  
ATOM    258  HB2 ALA A  57      -6.892   4.496   1.236  1.00  1.34           H  
ATOM    259  HB3 ALA A  57      -8.218   5.115   0.254  1.00  1.19           H  
ATOM    260  N   PHE A  58      -4.416   3.617  -0.022  1.00  0.52           N  
ATOM    261  CA  PHE A  58      -3.006   3.761   0.443  1.00  0.50           C  
ATOM    262  C   PHE A  58      -2.204   4.557  -0.585  1.00  0.51           C  
ATOM    263  O   PHE A  58      -1.238   5.217  -0.260  1.00  0.54           O  
ATOM    264  CB  PHE A  58      -2.397   2.371   0.590  1.00  0.55           C  
ATOM    265  CG  PHE A  58      -0.905   2.469   0.788  1.00  0.55           C  
ATOM    266  CD1 PHE A  58      -0.386   3.134   1.905  1.00  1.06           C  
ATOM    267  CD2 PHE A  58      -0.039   1.885  -0.144  1.00  1.28           C  
ATOM    268  CE1 PHE A  58       1.000   3.215   2.088  1.00  1.10           C  
ATOM    269  CE2 PHE A  58       1.345   1.967   0.038  1.00  1.36           C  
ATOM    270  CZ  PHE A  58       1.865   2.633   1.155  1.00  0.79           C  
ATOM    271  H   PHE A  58      -4.834   2.726  -0.043  1.00  0.54           H  
ATOM    272  HA  PHE A  58      -2.984   4.270   1.394  1.00  0.53           H  
ATOM    273  HB2 PHE A  58      -2.839   1.888   1.440  1.00  0.65           H  
ATOM    274  HB3 PHE A  58      -2.603   1.794  -0.299  1.00  0.62           H  
ATOM    275  HD1 PHE A  58      -1.053   3.585   2.624  1.00  1.77           H  
ATOM    276  HD2 PHE A  58      -0.440   1.371  -1.007  1.00  1.99           H  
ATOM    277  HE1 PHE A  58       1.401   3.728   2.950  1.00  1.79           H  
ATOM    278  HE2 PHE A  58       2.013   1.516  -0.681  1.00  2.11           H  
ATOM    279  HZ  PHE A  58       2.933   2.696   1.297  1.00  0.92           H  
ATOM    280  N   ALA A  59      -2.591   4.491  -1.824  1.00  0.58           N  
ATOM    281  CA  ALA A  59      -1.848   5.239  -2.878  1.00  0.67           C  
ATOM    282  C   ALA A  59      -2.368   6.679  -2.961  1.00  0.65           C  
ATOM    283  O   ALA A  59      -2.321   7.304  -4.002  1.00  0.88           O  
ATOM    284  CB  ALA A  59      -2.048   4.549  -4.228  1.00  0.84           C  
ATOM    285  H   ALA A  59      -3.369   3.945  -2.062  1.00  0.64           H  
ATOM    286  HA  ALA A  59      -0.795   5.251  -2.635  1.00  0.68           H  
ATOM    287  HB1 ALA A  59      -3.040   4.124  -4.272  1.00  1.39           H  
ATOM    288  HB2 ALA A  59      -1.930   5.271  -5.023  1.00  1.18           H  
ATOM    289  HB3 ALA A  59      -1.315   3.764  -4.342  1.00  1.46           H  
ATOM    290  N   ASN A  60      -2.857   7.216  -1.873  1.00  0.65           N  
ATOM    291  CA  ASN A  60      -3.367   8.618  -1.899  1.00  0.68           C  
ATOM    292  C   ASN A  60      -2.388   9.519  -1.142  1.00  0.60           C  
ATOM    293  O   ASN A  60      -2.412  10.726  -1.267  1.00  0.74           O  
ATOM    294  CB  ASN A  60      -4.746   8.682  -1.236  1.00  0.81           C  
ATOM    295  CG  ASN A  60      -5.773   7.988  -2.133  1.00  0.98           C  
ATOM    296  OD1 ASN A  60      -5.713   6.791  -2.328  1.00  1.47           O  
ATOM    297  ND2 ASN A  60      -6.720   8.699  -2.690  1.00  1.59           N  
ATOM    298  H   ASN A  60      -2.881   6.702  -1.041  1.00  0.82           H  
ATOM    299  HA  ASN A  60      -3.443   8.954  -2.922  1.00  0.76           H  
ATOM    300  HB2 ASN A  60      -4.709   8.184  -0.278  1.00  0.80           H  
ATOM    301  HB3 ASN A  60      -5.032   9.715  -1.099  1.00  0.88           H  
ATOM    302 HD21 ASN A  60      -6.764   9.669  -2.530  1.00  2.24           H  
ATOM    303 HD22 ASN A  60      -7.386   8.262  -3.268  1.00  1.71           H  
ATOM    304  N   LEU A  61      -1.516   8.933  -0.365  1.00  0.58           N  
ATOM    305  CA  LEU A  61      -0.519   9.746   0.388  1.00  0.60           C  
ATOM    306  C   LEU A  61       0.613  10.128  -0.576  1.00  0.56           C  
ATOM    307  O   LEU A  61       0.644   9.653  -1.695  1.00  0.55           O  
ATOM    308  CB  LEU A  61       0.034   8.918   1.558  1.00  0.67           C  
ATOM    309  CG  LEU A  61      -1.085   8.074   2.174  1.00  0.73           C  
ATOM    310  CD1 LEU A  61      -0.623   6.619   2.290  1.00  0.67           C  
ATOM    311  CD2 LEU A  61      -1.413   8.614   3.568  1.00  1.43           C  
ATOM    312  H   LEU A  61      -1.507   7.956  -0.288  1.00  0.71           H  
ATOM    313  HA  LEU A  61      -0.991  10.642   0.766  1.00  0.69           H  
ATOM    314  HB2 LEU A  61       0.819   8.269   1.203  1.00  0.82           H  
ATOM    315  HB3 LEU A  61       0.426   9.577   2.313  1.00  0.84           H  
ATOM    316  HG  LEU A  61      -1.966   8.126   1.549  1.00  1.17           H  
ATOM    317 HD11 LEU A  61       0.308   6.581   2.835  1.00  1.32           H  
ATOM    318 HD12 LEU A  61      -1.371   6.043   2.814  1.00  1.30           H  
ATOM    319 HD13 LEU A  61      -0.479   6.209   1.301  1.00  1.23           H  
ATOM    320 HD21 LEU A  61      -0.581   9.202   3.929  1.00  1.75           H  
ATOM    321 HD22 LEU A  61      -2.295   9.235   3.516  1.00  1.93           H  
ATOM    322 HD23 LEU A  61      -1.591   7.790   4.243  1.00  2.05           H  
ATOM    323  N   PRO A  62       1.506  10.976  -0.131  1.00  0.63           N  
ATOM    324  CA  PRO A  62       2.631  11.430  -0.968  1.00  0.69           C  
ATOM    325  C   PRO A  62       3.461  10.229  -1.425  1.00  0.63           C  
ATOM    326  O   PRO A  62       3.585   9.251  -0.721  1.00  0.56           O  
ATOM    327  CB  PRO A  62       3.453  12.350  -0.059  1.00  0.83           C  
ATOM    328  CG  PRO A  62       2.690  12.484   1.283  1.00  0.86           C  
ATOM    329  CD  PRO A  62       1.474  11.547   1.225  1.00  0.74           C  
ATOM    330  HA  PRO A  62       2.269  11.985  -1.820  1.00  0.73           H  
ATOM    331  HB2 PRO A  62       4.429  11.915   0.112  1.00  0.84           H  
ATOM    332  HB3 PRO A  62       3.557  13.322  -0.516  1.00  0.92           H  
ATOM    333  HG2 PRO A  62       3.336  12.196   2.102  1.00  0.90           H  
ATOM    334  HG3 PRO A  62       2.357  13.502   1.416  1.00  0.96           H  
ATOM    335  HD2 PRO A  62       1.580  10.769   1.966  1.00  0.71           H  
ATOM    336  HD3 PRO A  62       0.560  12.099   1.380  1.00  0.80           H  
ATOM    337  N   LEU A  63       4.021  10.291  -2.604  1.00  0.71           N  
ATOM    338  CA  LEU A  63       4.831   9.145  -3.107  1.00  0.73           C  
ATOM    339  C   LEU A  63       5.927   8.797  -2.105  1.00  0.75           C  
ATOM    340  O   LEU A  63       6.191   7.640  -1.845  1.00  0.72           O  
ATOM    341  CB  LEU A  63       5.465   9.516  -4.450  1.00  0.88           C  
ATOM    342  CG  LEU A  63       5.424   8.305  -5.385  1.00  1.08           C  
ATOM    343  CD1 LEU A  63       5.981   7.081  -4.657  1.00  1.65           C  
ATOM    344  CD2 LEU A  63       3.978   8.034  -5.803  1.00  1.69           C  
ATOM    345  H   LEU A  63       3.901  11.089  -3.160  1.00  0.77           H  
ATOM    346  HA  LEU A  63       4.190   8.287  -3.237  1.00  0.67           H  
ATOM    347  HB2 LEU A  63       4.916  10.334  -4.894  1.00  0.95           H  
ATOM    348  HB3 LEU A  63       6.491   9.813  -4.293  1.00  1.04           H  
ATOM    349  HG  LEU A  63       6.024   8.507  -6.261  1.00  1.68           H  
ATOM    350 HD11 LEU A  63       6.644   7.403  -3.867  1.00  2.13           H  
ATOM    351 HD12 LEU A  63       5.164   6.516  -4.232  1.00  2.21           H  
ATOM    352 HD13 LEU A  63       6.526   6.461  -5.354  1.00  2.09           H  
ATOM    353 HD21 LEU A  63       3.310   8.366  -5.023  1.00  2.10           H  
ATOM    354 HD22 LEU A  63       3.760   8.571  -6.712  1.00  2.35           H  
ATOM    355 HD23 LEU A  63       3.842   6.976  -5.968  1.00  2.09           H  
ATOM    356  N   TRP A  64       6.565   9.774  -1.525  1.00  0.82           N  
ATOM    357  CA  TRP A  64       7.623   9.455  -0.539  1.00  0.87           C  
ATOM    358  C   TRP A  64       6.950   8.826   0.670  1.00  0.75           C  
ATOM    359  O   TRP A  64       7.508   7.981   1.340  1.00  0.75           O  
ATOM    360  CB  TRP A  64       8.367  10.724  -0.133  1.00  1.02           C  
ATOM    361  CG  TRP A  64       7.396  11.800   0.212  1.00  1.01           C  
ATOM    362  CD1 TRP A  64       6.997  12.793  -0.613  1.00  1.06           C  
ATOM    363  CD2 TRP A  64       6.709  12.009   1.467  1.00  1.00           C  
ATOM    364  NE1 TRP A  64       6.102  13.602   0.066  1.00  1.07           N  
ATOM    365  CE2 TRP A  64       5.893  13.156   1.357  1.00  1.05           C  
ATOM    366  CE3 TRP A  64       6.720  11.311   2.676  1.00  0.99           C  
ATOM    367  CZ2 TRP A  64       5.114  13.600   2.425  1.00  1.10           C  
ATOM    368  CZ3 TRP A  64       5.939  11.748   3.757  1.00  1.05           C  
ATOM    369  CH2 TRP A  64       5.136  12.893   3.632  1.00  1.10           C  
ATOM    370  H   TRP A  64       6.339  10.705  -1.725  1.00  0.87           H  
ATOM    371  HA  TRP A  64       8.316   8.746  -0.971  1.00  0.90           H  
ATOM    372  HB2 TRP A  64       8.989  10.515   0.727  1.00  1.07           H  
ATOM    373  HB3 TRP A  64       8.983  11.049  -0.949  1.00  1.12           H  
ATOM    374  HD1 TRP A  64       7.321  12.932  -1.634  1.00  1.10           H  
ATOM    375  HE1 TRP A  64       5.663  14.395  -0.303  1.00  1.11           H  
ATOM    376  HE3 TRP A  64       7.336  10.430   2.767  1.00  0.97           H  
ATOM    377  HZ2 TRP A  64       4.499  14.481   2.321  1.00  1.15           H  
ATOM    378  HZ3 TRP A  64       5.955  11.202   4.689  1.00  1.07           H  
ATOM    379  HH2 TRP A  64       4.535  13.226   4.465  1.00  1.18           H  
ATOM    380  N   LYS A  65       5.735   9.212   0.931  1.00  0.69           N  
ATOM    381  CA  LYS A  65       5.003   8.619   2.065  1.00  0.62           C  
ATOM    382  C   LYS A  65       4.625   7.193   1.682  1.00  0.49           C  
ATOM    383  O   LYS A  65       4.482   6.327   2.520  1.00  0.47           O  
ATOM    384  CB  LYS A  65       3.750   9.441   2.323  1.00  0.66           C  
ATOM    385  CG  LYS A  65       3.680   9.795   3.803  1.00  0.99           C  
ATOM    386  CD  LYS A  65       2.685   8.869   4.511  1.00  0.77           C  
ATOM    387  CE  LYS A  65       3.445   7.844   5.363  1.00  0.82           C  
ATOM    388  NZ  LYS A  65       4.521   8.535   6.129  1.00  1.60           N  
ATOM    389  H   LYS A  65       5.293   9.877   0.363  1.00  0.71           H  
ATOM    390  HA  LYS A  65       5.629   8.611   2.945  1.00  0.69           H  
ATOM    391  HB2 LYS A  65       3.792  10.350   1.737  1.00  0.77           H  
ATOM    392  HB3 LYS A  65       2.879   8.872   2.043  1.00  0.76           H  
ATOM    393  HG2 LYS A  65       4.660   9.682   4.247  1.00  1.63           H  
ATOM    394  HG3 LYS A  65       3.357  10.817   3.903  1.00  1.60           H  
ATOM    395  HD2 LYS A  65       2.040   9.456   5.148  1.00  1.26           H  
ATOM    396  HD3 LYS A  65       2.090   8.351   3.776  1.00  1.15           H  
ATOM    397  HE2 LYS A  65       2.761   7.374   6.053  1.00  1.22           H  
ATOM    398  HE3 LYS A  65       3.885   7.091   4.722  1.00  0.79           H  
ATOM    399  HZ1 LYS A  65       4.301   9.548   6.197  1.00  2.02           H  
ATOM    400  HZ2 LYS A  65       4.581   8.128   7.084  1.00  2.10           H  
ATOM    401  HZ3 LYS A  65       5.431   8.412   5.641  1.00  2.11           H  
ATOM    402  N   GLN A  66       4.485   6.942   0.407  1.00  0.48           N  
ATOM    403  CA  GLN A  66       4.144   5.576  -0.045  1.00  0.47           C  
ATOM    404  C   GLN A  66       5.339   4.669   0.217  1.00  0.53           C  
ATOM    405  O   GLN A  66       5.362   3.913   1.164  1.00  0.54           O  
ATOM    406  CB  GLN A  66       3.848   5.590  -1.535  1.00  0.55           C  
ATOM    407  CG  GLN A  66       2.704   6.555  -1.799  1.00  0.52           C  
ATOM    408  CD  GLN A  66       2.181   6.345  -3.219  1.00  0.65           C  
ATOM    409  OE1 GLN A  66       1.451   7.167  -3.739  1.00  0.85           O  
ATOM    410  NE2 GLN A  66       2.526   5.269  -3.872  1.00  0.70           N  
ATOM    411  H   GLN A  66       4.618   7.651  -0.251  1.00  0.54           H  
ATOM    412  HA  GLN A  66       3.279   5.226   0.487  1.00  0.44           H  
ATOM    413  HB2 GLN A  66       4.726   5.911  -2.077  1.00  0.63           H  
ATOM    414  HB3 GLN A  66       3.565   4.600  -1.855  1.00  0.60           H  
ATOM    415  HG2 GLN A  66       1.916   6.377  -1.086  1.00  0.49           H  
ATOM    416  HG3 GLN A  66       3.062   7.560  -1.689  1.00  0.52           H  
ATOM    417 HE21 GLN A  66       3.111   4.605  -3.448  1.00  0.74           H  
ATOM    418 HE22 GLN A  66       2.204   5.127  -4.784  1.00  0.79           H  
ATOM    419  N   GLN A  67       6.341   4.759  -0.616  1.00  0.64           N  
ATOM    420  CA  GLN A  67       7.556   3.918  -0.427  1.00  0.73           C  
ATOM    421  C   GLN A  67       7.865   3.793   1.064  1.00  0.67           C  
ATOM    422  O   GLN A  67       8.290   2.757   1.531  1.00  0.72           O  
ATOM    423  CB  GLN A  67       8.737   4.568  -1.148  1.00  0.87           C  
ATOM    424  CG  GLN A  67       8.470   4.571  -2.654  1.00  0.98           C  
ATOM    425  CD  GLN A  67       9.723   5.042  -3.397  1.00  1.42           C  
ATOM    426  OE1 GLN A  67      10.816   4.977  -2.871  1.00  2.15           O  
ATOM    427  NE2 GLN A  67       9.604   5.522  -4.606  1.00  1.91           N  
ATOM    428  H   GLN A  67       6.296   5.391  -1.366  1.00  0.67           H  
ATOM    429  HA  GLN A  67       7.387   2.940  -0.837  1.00  0.79           H  
ATOM    430  HB2 GLN A  67       8.857   5.584  -0.801  1.00  0.85           H  
ATOM    431  HB3 GLN A  67       9.637   4.006  -0.946  1.00  1.03           H  
ATOM    432  HG2 GLN A  67       8.215   3.571  -2.976  1.00  1.42           H  
ATOM    433  HG3 GLN A  67       7.652   5.239  -2.873  1.00  1.33           H  
ATOM    434 HE21 GLN A  67       8.717   5.575  -5.027  1.00  2.17           H  
ATOM    435 HE22 GLN A  67      10.402   5.828  -5.094  1.00  2.45           H  
ATOM    436  N   ASN A  68       7.648   4.833   1.820  1.00  0.63           N  
ATOM    437  CA  ASN A  68       7.931   4.758   3.280  1.00  0.63           C  
ATOM    438  C   ASN A  68       6.946   3.796   3.944  1.00  0.55           C  
ATOM    439  O   ASN A  68       7.300   2.697   4.312  1.00  0.61           O  
ATOM    440  CB  ASN A  68       7.791   6.146   3.901  1.00  0.69           C  
ATOM    441  CG  ASN A  68       9.154   6.839   3.894  1.00  0.87           C  
ATOM    442  OD1 ASN A  68      10.177   6.190   3.799  1.00  1.19           O  
ATOM    443  ND2 ASN A  68       9.210   8.138   3.986  1.00  1.13           N  
ATOM    444  H   ASN A  68       7.298   5.663   1.429  1.00  0.64           H  
ATOM    445  HA  ASN A  68       8.938   4.398   3.431  1.00  0.69           H  
ATOM    446  HB2 ASN A  68       7.085   6.729   3.327  1.00  0.66           H  
ATOM    447  HB3 ASN A  68       7.443   6.052   4.919  1.00  0.75           H  
ATOM    448 HD21 ASN A  68       8.380   8.661   4.060  1.00  1.45           H  
ATOM    449 HD22 ASN A  68      10.082   8.593   3.982  1.00  1.24           H  
ATOM    450  N   LEU A  69       5.713   4.195   4.097  1.00  0.50           N  
ATOM    451  CA  LEU A  69       4.717   3.288   4.737  1.00  0.50           C  
ATOM    452  C   LEU A  69       4.910   1.870   4.191  1.00  0.51           C  
ATOM    453  O   LEU A  69       4.598   0.893   4.837  1.00  0.59           O  
ATOM    454  CB  LEU A  69       3.300   3.763   4.411  1.00  0.52           C  
ATOM    455  CG  LEU A  69       2.863   4.798   5.447  1.00  0.63           C  
ATOM    456  CD1 LEU A  69       1.579   5.484   4.978  1.00  0.74           C  
ATOM    457  CD2 LEU A  69       2.612   4.104   6.788  1.00  0.82           C  
ATOM    458  H   LEU A  69       5.445   5.086   3.791  1.00  0.52           H  
ATOM    459  HA  LEU A  69       4.861   3.291   5.806  1.00  0.56           H  
ATOM    460  HB2 LEU A  69       3.288   4.208   3.425  1.00  0.57           H  
ATOM    461  HB3 LEU A  69       2.621   2.922   4.439  1.00  0.57           H  
ATOM    462  HG  LEU A  69       3.642   5.537   5.565  1.00  0.71           H  
ATOM    463 HD11 LEU A  69       0.982   4.782   4.413  1.00  1.11           H  
ATOM    464 HD12 LEU A  69       1.017   5.824   5.836  1.00  1.46           H  
ATOM    465 HD13 LEU A  69       1.828   6.328   4.353  1.00  1.23           H  
ATOM    466 HD21 LEU A  69       2.907   3.066   6.717  1.00  1.32           H  
ATOM    467 HD22 LEU A  69       3.191   4.590   7.560  1.00  1.22           H  
ATOM    468 HD23 LEU A  69       1.563   4.164   7.035  1.00  1.40           H  
ATOM    469  N   LYS A  70       5.422   1.763   2.999  1.00  0.54           N  
ATOM    470  CA  LYS A  70       5.645   0.426   2.377  1.00  0.64           C  
ATOM    471  C   LYS A  70       6.797  -0.292   3.077  1.00  0.71           C  
ATOM    472  O   LYS A  70       6.593  -1.144   3.912  1.00  0.76           O  
ATOM    473  CB  LYS A  70       6.005   0.628   0.912  1.00  0.70           C  
ATOM    474  CG  LYS A  70       4.808   1.254   0.187  1.00  0.66           C  
ATOM    475  CD  LYS A  70       5.129   1.475  -1.297  1.00  0.75           C  
ATOM    476  CE  LYS A  70       5.330   0.125  -1.987  1.00  1.01           C  
ATOM    477  NZ  LYS A  70       4.779   0.192  -3.370  1.00  1.62           N  
ATOM    478  H   LYS A  70       5.659   2.571   2.503  1.00  0.56           H  
ATOM    479  HA  LYS A  70       4.746  -0.167   2.453  1.00  0.67           H  
ATOM    480  HB2 LYS A  70       6.858   1.289   0.854  1.00  0.69           H  
ATOM    481  HB3 LYS A  70       6.249  -0.321   0.462  1.00  0.81           H  
ATOM    482  HG2 LYS A  70       3.955   0.597   0.275  1.00  0.72           H  
ATOM    483  HG3 LYS A  70       4.582   2.198   0.647  1.00  0.59           H  
ATOM    484  HD2 LYS A  70       4.308   2.004  -1.771  1.00  0.77           H  
ATOM    485  HD3 LYS A  70       6.025   2.058  -1.390  1.00  0.84           H  
ATOM    486  HE2 LYS A  70       6.386  -0.103  -2.028  1.00  1.54           H  
ATOM    487  HE3 LYS A  70       4.816  -0.645  -1.430  1.00  1.38           H  
ATOM    488  HZ1 LYS A  70       3.852   0.663  -3.351  1.00  2.14           H  
ATOM    489  HZ2 LYS A  70       5.426   0.736  -3.976  1.00  2.07           H  
ATOM    490  HZ3 LYS A  70       4.674  -0.770  -3.751  1.00  2.07           H  
ATOM    491  N   LYS A  71       8.012   0.034   2.745  1.00  0.74           N  
ATOM    492  CA  LYS A  71       9.148  -0.655   3.421  1.00  0.84           C  
ATOM    493  C   LYS A  71       8.888  -0.646   4.923  1.00  0.74           C  
ATOM    494  O   LYS A  71       9.399  -1.467   5.658  1.00  0.79           O  
ATOM    495  CB  LYS A  71      10.464   0.051   3.104  1.00  0.98           C  
ATOM    496  CG  LYS A  71      10.801  -0.182   1.632  1.00  1.70           C  
ATOM    497  CD  LYS A  71      10.262   0.988   0.809  1.00  2.41           C  
ATOM    498  CE  LYS A  71      11.330   1.468  -0.178  1.00  3.20           C  
ATOM    499  NZ  LYS A  71      11.379   0.553  -1.356  1.00  3.86           N  
ATOM    500  H   LYS A  71       8.171   0.721   2.063  1.00  0.73           H  
ATOM    501  HA  LYS A  71       9.198  -1.678   3.075  1.00  0.94           H  
ATOM    502  HB2 LYS A  71      10.361   1.110   3.291  1.00  1.30           H  
ATOM    503  HB3 LYS A  71      11.252  -0.353   3.723  1.00  1.38           H  
ATOM    504  HG2 LYS A  71      11.872  -0.251   1.512  1.00  2.09           H  
ATOM    505  HG3 LYS A  71      10.338  -1.100   1.298  1.00  2.27           H  
ATOM    506  HD2 LYS A  71       9.380   0.675   0.268  1.00  2.65           H  
ATOM    507  HD3 LYS A  71      10.005   1.797   1.475  1.00  2.70           H  
ATOM    508  HE2 LYS A  71      11.085   2.463  -0.511  1.00  3.54           H  
ATOM    509  HE3 LYS A  71      12.293   1.483   0.310  1.00  3.48           H  
ATOM    510  HZ1 LYS A  71      11.238  -0.430  -1.040  1.00  4.21           H  
ATOM    511  HZ2 LYS A  71      10.629   0.812  -2.028  1.00  3.98           H  
ATOM    512  HZ3 LYS A  71      12.306   0.638  -1.825  1.00  4.34           H  
ATOM    513  N   GLU A  72       8.053   0.249   5.381  1.00  0.66           N  
ATOM    514  CA  GLU A  72       7.724   0.262   6.834  1.00  0.66           C  
ATOM    515  C   GLU A  72       6.739  -0.886   7.066  1.00  0.65           C  
ATOM    516  O   GLU A  72       6.767  -1.557   8.079  1.00  0.79           O  
ATOM    517  CB  GLU A  72       7.066   1.588   7.248  1.00  0.68           C  
ATOM    518  CG  GLU A  72       8.092   2.728   7.208  1.00  1.00           C  
ATOM    519  CD  GLU A  72       8.185   3.395   8.586  1.00  1.76           C  
ATOM    520  OE1 GLU A  72       8.023   2.699   9.575  1.00  2.46           O  
ATOM    521  OE2 GLU A  72       8.416   4.593   8.625  1.00  2.31           O  
ATOM    522  H   GLU A  72       7.619   0.881   4.761  1.00  0.65           H  
ATOM    523  HA  GLU A  72       8.621   0.096   7.417  1.00  0.76           H  
ATOM    524  HB2 GLU A  72       6.254   1.810   6.572  1.00  0.71           H  
ATOM    525  HB3 GLU A  72       6.679   1.495   8.252  1.00  0.87           H  
ATOM    526  HG2 GLU A  72       9.060   2.336   6.932  1.00  1.22           H  
ATOM    527  HG3 GLU A  72       7.782   3.462   6.479  1.00  1.39           H  
ATOM    528  N   LYS A  73       5.873  -1.115   6.110  1.00  0.66           N  
ATOM    529  CA  LYS A  73       4.881  -2.220   6.234  1.00  0.76           C  
ATOM    530  C   LYS A  73       4.385  -2.646   4.857  1.00  0.91           C  
ATOM    531  O   LYS A  73       4.704  -2.054   3.848  1.00  1.73           O  
ATOM    532  CB  LYS A  73       3.673  -1.752   7.017  1.00  0.77           C  
ATOM    533  CG  LYS A  73       3.640  -0.245   6.975  1.00  0.76           C  
ATOM    534  CD  LYS A  73       2.597   0.259   7.961  1.00  1.04           C  
ATOM    535  CE  LYS A  73       3.246   0.435   9.331  1.00  1.48           C  
ATOM    536  NZ  LYS A  73       2.184   0.683  10.342  1.00  2.14           N  
ATOM    537  H   LYS A  73       5.884  -0.557   5.307  1.00  0.71           H  
ATOM    538  HA  LYS A  73       5.333  -3.047   6.738  1.00  1.01           H  
ATOM    539  HB2 LYS A  73       2.774  -2.147   6.563  1.00  0.94           H  
ATOM    540  HB3 LYS A  73       3.746  -2.087   8.038  1.00  1.14           H  
ATOM    541  HG2 LYS A  73       4.618   0.123   7.245  1.00  0.99           H  
ATOM    542  HG3 LYS A  73       3.386   0.082   5.980  1.00  0.86           H  
ATOM    543  HD2 LYS A  73       2.205   1.205   7.619  1.00  1.48           H  
ATOM    544  HD3 LYS A  73       1.798  -0.460   8.034  1.00  1.74           H  
ATOM    545  HE2 LYS A  73       3.790  -0.463   9.590  1.00  2.10           H  
ATOM    546  HE3 LYS A  73       3.925   1.273   9.306  1.00  1.86           H  
ATOM    547  HZ1 LYS A  73       1.288   0.886   9.857  1.00  2.67           H  
ATOM    548  HZ2 LYS A  73       2.071  -0.162  10.938  1.00  2.39           H  
ATOM    549  HZ3 LYS A  73       2.449   1.493  10.933  1.00  2.52           H  
ATOM    550  N   GLY A  74       3.574  -3.660   4.816  1.00  1.05           N  
ATOM    551  CA  GLY A  74       3.022  -4.120   3.518  1.00  1.31           C  
ATOM    552  C   GLY A  74       4.133  -4.723   2.665  1.00  1.55           C  
ATOM    553  O   GLY A  74       3.874  -5.345   1.657  1.00  2.18           O  
ATOM    554  H   GLY A  74       3.317  -4.111   5.644  1.00  1.59           H  
ATOM    555  HA2 GLY A  74       2.262  -4.868   3.703  1.00  1.53           H  
ATOM    556  HA3 GLY A  74       2.587  -3.281   2.999  1.00  1.37           H  
ATOM    557  N   LEU A  75       5.372  -4.562   3.049  1.00  1.60           N  
ATOM    558  CA  LEU A  75       6.459  -5.151   2.227  1.00  1.88           C  
ATOM    559  C   LEU A  75       6.546  -6.658   2.513  1.00  2.13           C  
ATOM    560  O   LEU A  75       7.086  -7.414   1.728  1.00  2.51           O  
ATOM    561  CB  LEU A  75       7.784  -4.461   2.539  1.00  2.41           C  
ATOM    562  CG  LEU A  75       8.356  -5.093   3.781  1.00  2.93           C  
ATOM    563  CD1 LEU A  75       9.441  -6.100   3.403  1.00  3.76           C  
ATOM    564  CD2 LEU A  75       8.939  -4.009   4.691  1.00  3.56           C  
ATOM    565  H   LEU A  75       5.582  -4.062   3.866  1.00  1.86           H  
ATOM    566  HA  LEU A  75       6.231  -5.012   1.198  1.00  2.20           H  
ATOM    567  HB2 LEU A  75       8.464  -4.584   1.705  1.00  2.89           H  
ATOM    568  HB3 LEU A  75       7.613  -3.410   2.718  1.00  2.74           H  
ATOM    569  HG  LEU A  75       7.553  -5.602   4.283  1.00  2.98           H  
ATOM    570 HD11 LEU A  75       9.875  -5.827   2.450  1.00  4.10           H  
ATOM    571 HD12 LEU A  75      10.207  -6.105   4.168  1.00  4.16           H  
ATOM    572 HD13 LEU A  75       8.999  -7.082   3.324  1.00  4.08           H  
ATOM    573 HD21 LEU A  75       9.358  -3.217   4.083  1.00  3.78           H  
ATOM    574 HD22 LEU A  75       8.156  -3.606   5.315  1.00  3.96           H  
ATOM    575 HD23 LEU A  75       9.715  -4.434   5.313  1.00  3.95           H  
ATOM    576  N   PHE A  76       5.995  -7.109   3.616  1.00  2.54           N  
ATOM    577  CA  PHE A  76       6.033  -8.575   3.923  1.00  3.42           C  
ATOM    578  C   PHE A  76       4.678  -9.203   3.574  1.00  4.09           C  
ATOM    579  O   PHE A  76       3.672  -8.540   3.760  1.00  4.51           O  
ATOM    580  CB  PHE A  76       6.311  -8.794   5.413  1.00  4.10           C  
ATOM    581  CG  PHE A  76       7.511  -9.689   5.590  1.00  4.58           C  
ATOM    582  CD1 PHE A  76       7.383 -11.078   5.459  1.00  4.90           C  
ATOM    583  CD2 PHE A  76       8.749  -9.126   5.900  1.00  5.16           C  
ATOM    584  CE1 PHE A  76       8.501 -11.901   5.639  1.00  5.67           C  
ATOM    585  CE2 PHE A  76       9.865  -9.944   6.085  1.00  5.89           C  
ATOM    586  CZ  PHE A  76       9.742 -11.331   5.955  1.00  6.09           C  
ATOM    587  OXT PHE A  76       4.671 -10.340   3.131  1.00  4.57           O  
ATOM    588  H   PHE A  76       5.549  -6.495   4.231  1.00  2.57           H  
ATOM    589  HA  PHE A  76       6.809  -9.044   3.338  1.00  3.50           H  
ATOM    590  HB2 PHE A  76       6.513  -7.843   5.882  1.00  4.22           H  
ATOM    591  HB3 PHE A  76       5.448  -9.255   5.880  1.00  4.61           H  
ATOM    592  HD1 PHE A  76       6.424 -11.517   5.220  1.00  4.87           H  
ATOM    593  HD2 PHE A  76       8.834  -8.058   5.998  1.00  5.33           H  
ATOM    594  HE1 PHE A  76       8.404 -12.974   5.540  1.00  6.17           H  
ATOM    595  HE2 PHE A  76      10.822  -9.507   6.326  1.00  6.53           H  
ATOM    596  HZ  PHE A  76      10.604 -11.962   6.103  1.00  6.80           H  
TER     597      PHE A  76                                                      
MASTER      122    0    0    3    0    0    2    6  295    1    0    3          
END