HEADER    INHIBITOR/HORMONE                       16-APR-99   1QBF              
TITLE     NMR SOLUTION STRUCTURE OF PORCINE PEPTIDE YY                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PEPTIDE YY;                                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: PORCINE PYY;                                               
COMPND   5 SYNONYM: PYY;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 OTHER_DETAILS: SYNTHETIC                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: PORCINE SEQUENCE                                      
KEYWDS    PP-FOLD, PANCREATIC HORMONE, INHIBITOR-HORMONE COMPLEX                
EXPDTA    SOLUTION NMR                                                          
AUTHOR    D.A.KEIRE,M.KOBAYASHI,T.E.SOLOMON,J.R.REEVE JR.                       
REVDAT   3   13-NOV-19 1QBF    1       KEYWDS REMARK LINK                       
REVDAT   2   24-FEB-09 1QBF    1       VERSN                                    
REVDAT   1   16-AUG-00 1QBF    0                                                
JRNL        AUTH   D.A.KEIRE,M.KOBAYASHI,T.E.SOLOMON,J.R.REEVE                  
JRNL        TITL   SOLUTION STRUCTURE OF MONOMERIC PEPTIDE YY SUPPORTS THE      
JRNL        TITL 2 FUNCTIONAL SIGNIFICANCE OF THE PP-FOLD.                      
JRNL        REF    BIOCHEMISTRY                  V.  39  9935 2000              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   10933813                                                     
JRNL        DOI    10.1021/BI992576A                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR VERSION 3.0, X-PLOR VERSION 3.0               
REMARK   3   AUTHORS     : BRUNGER, ET AL. (X-PLOR), BRUNGER, ET AL. (X-PLOR)   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE IS BASED ON 396 NOE DERIVED RESTRAINTS INCLUDING 9    
REMARK   3  HYDROGEN                                                            
REMARK   3  BONDS INTERPROTON DISTANCES                                         
REMARK   4                                                                      
REMARK   4 1QBF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-APR-99.                  
REMARK 100 THE DEPOSITION ID IS D_1000009040.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 0.15                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 1 MM PYY, 0.15 M KCL, PH 5.5       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; TOCSY                    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITYPLUS                          
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING MOLECULAR DYNAMICS       
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOWEST ENERGY                      
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD HOMONUCLEAR     
REMARK 210  TECHNIQUES                                                          
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    SER A    18     H    TYR A    21              1.44            
REMARK 500   O    GLU A    15     H    LEU A    17              1.59            
REMARK 500   O    LEU A    30     OE1  GLN A    34              2.19            
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    ALA A   3     -139.65    -83.42                                   
REMARK 500    ALA A   7      149.02     60.84                                   
REMARK 500    PRO A   8      -92.78    -84.23                                   
REMARK 500    GLU A  10      -19.56    164.99                                   
REMARK 500    SER A  13     -144.58   -167.70                                   
REMARK 500    GLU A  16      -62.95     52.42                                   
REMARK 500    SER A  18       87.43     91.00                                   
REMARK 500    ARG A  19       40.16     35.60                                   
REMARK 500    TYR A  20       28.36     42.96                                   
REMARK 500    LEU A  24      -30.28    -34.83                                   
REMARK 500    HIS A  26      -59.20    -22.88                                   
REMARK 500    TYR A  27      -87.84    -29.11                                   
REMARK 500    LEU A  30      -33.69   -135.86                                   
REMARK 500    THR A  32      -89.04    -40.50                                   
REMARK 500    ARG A  35      156.20     58.57                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  25         0.17    SIDE CHAIN                              
REMARK 500    ARG A  33         0.26    SIDE CHAIN                              
REMARK 500    ARG A  35         0.31    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 37                  
DBREF  1QBF A    1    36  UNP    P68005   PYY_PIG          1     36             
SEQRES   1 A   37  TYR PRO ALA LYS PRO GLU ALA PRO GLY GLU ASP ALA SER          
SEQRES   2 A   37  PRO GLU GLU LEU SER ARG TYR TYR ALA SER LEU ARG HIS          
SEQRES   3 A   37  TYR LEU ASN LEU VAL THR ARG GLN ARG TYR NH2                  
HET    NH2  A  37       3                                                       
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  NH2    H2 N                                                         
HELIX    1   1 ALA A   22  LEU A   24  5                                   3    
HELIX    2   2 ARG A   25  VAL A   31  1                                   7    
LINK         C   TYR A  36                 N   NH2 A  37     1555   1555  1.30  
SITE     1 AC1  1 TYR A  36                                                     
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   TYR A   1     -13.444   5.449   1.298  1.00  0.00           N  
ATOM      2  CA  TYR A   1     -12.042   5.091   1.655  1.00  0.00           C  
ATOM      3  C   TYR A   1     -11.215   4.918   0.368  1.00  0.00           C  
ATOM      4  O   TYR A   1     -11.291   3.898  -0.282  1.00  0.00           O  
ATOM      5  CB  TYR A   1     -12.047   3.797   2.464  1.00  0.00           C  
ATOM      6  CG  TYR A   1     -11.127   3.960   3.647  1.00  0.00           C  
ATOM      7  CD1 TYR A   1      -9.752   3.748   3.500  1.00  0.00           C  
ATOM      8  CD2 TYR A   1     -11.650   4.332   4.891  1.00  0.00           C  
ATOM      9  CE1 TYR A   1      -8.899   3.905   4.598  1.00  0.00           C  
ATOM     10  CE2 TYR A   1     -10.798   4.490   5.989  1.00  0.00           C  
ATOM     11  CZ  TYR A   1      -9.421   4.276   5.843  1.00  0.00           C  
ATOM     12  OH  TYR A   1      -8.580   4.434   6.925  1.00  0.00           O  
ATOM     13  H1  TYR A   1     -13.445   6.309   0.714  1.00  0.00           H  
ATOM     14  H2  TYR A   1     -13.990   5.618   2.167  1.00  0.00           H  
ATOM     15  H3  TYR A   1     -13.875   4.668   0.762  1.00  0.00           H  
ATOM     16  HA  TYR A   1     -11.615   5.878   2.257  1.00  0.00           H  
ATOM     17  HB2 TYR A   1     -13.051   3.595   2.811  1.00  0.00           H  
ATOM     18  HB3 TYR A   1     -11.708   2.981   1.850  1.00  0.00           H  
ATOM     19  HD1 TYR A   1      -9.348   3.464   2.540  1.00  0.00           H  
ATOM     20  HD2 TYR A   1     -12.711   4.496   5.003  1.00  0.00           H  
ATOM     21  HE1 TYR A   1      -7.837   3.739   4.485  1.00  0.00           H  
ATOM     22  HE2 TYR A   1     -11.201   4.777   6.949  1.00  0.00           H  
ATOM     23  HH  TYR A   1      -8.295   5.351   6.947  1.00  0.00           H  
ATOM     24  N   PRO A   2     -10.470   5.947   0.034  1.00  0.00           N  
ATOM     25  CA  PRO A   2      -9.628   5.991  -1.173  1.00  0.00           C  
ATOM     26  C   PRO A   2      -8.258   5.365  -0.913  1.00  0.00           C  
ATOM     27  O   PRO A   2      -8.019   4.749   0.105  1.00  0.00           O  
ATOM     28  CB  PRO A   2      -9.457   7.487  -1.431  1.00  0.00           C  
ATOM     29  CG  PRO A   2      -9.683   8.186  -0.070  1.00  0.00           C  
ATOM     30  CD  PRO A   2     -10.407   7.172   0.833  1.00  0.00           C  
ATOM     31  HA  PRO A   2     -10.119   5.523  -2.009  1.00  0.00           H  
ATOM     32  HB2 PRO A   2      -8.459   7.688  -1.797  1.00  0.00           H  
ATOM     33  HB3 PRO A   2     -10.192   7.830  -2.142  1.00  0.00           H  
ATOM     34  HG2 PRO A   2      -8.730   8.457   0.366  1.00  0.00           H  
ATOM     35  HG3 PRO A   2     -10.296   9.064  -0.199  1.00  0.00           H  
ATOM     36  HD2 PRO A   2      -9.840   6.993   1.735  1.00  0.00           H  
ATOM     37  HD3 PRO A   2     -11.402   7.507   1.065  1.00  0.00           H  
ATOM     38  N   ALA A   3      -7.362   5.529  -1.845  1.00  0.00           N  
ATOM     39  CA  ALA A   3      -6.002   4.961  -1.708  1.00  0.00           C  
ATOM     40  C   ALA A   3      -5.138   5.901  -0.884  1.00  0.00           C  
ATOM     41  O   ALA A   3      -5.577   6.466   0.098  1.00  0.00           O  
ATOM     42  CB  ALA A   3      -5.390   4.811  -3.103  1.00  0.00           C  
ATOM     43  H   ALA A   3      -7.590   6.023  -2.649  1.00  0.00           H  
ATOM     44  HA  ALA A   3      -6.057   4.004  -1.227  1.00  0.00           H  
ATOM     45  HB1 ALA A   3      -4.730   5.639  -3.299  1.00  0.00           H  
ATOM     46  HB2 ALA A   3      -6.169   4.812  -3.835  1.00  0.00           H  
ATOM     47  HB3 ALA A   3      -4.835   3.888  -3.158  1.00  0.00           H  
ATOM     48  N   LYS A   4      -3.902   6.067  -1.277  1.00  0.00           N  
ATOM     49  CA  LYS A   4      -2.996   6.959  -0.538  1.00  0.00           C  
ATOM     50  C   LYS A   4      -2.450   6.264   0.725  1.00  0.00           C  
ATOM     51  O   LYS A   4      -2.108   6.939   1.676  1.00  0.00           O  
ATOM     52  CB  LYS A   4      -3.758   8.236  -0.166  1.00  0.00           C  
ATOM     53  CG  LYS A   4      -4.761   8.578  -1.284  1.00  0.00           C  
ATOM     54  CD  LYS A   4      -4.819  10.094  -1.475  1.00  0.00           C  
ATOM     55  CE  LYS A   4      -6.261  10.573  -1.298  1.00  0.00           C  
ATOM     56  NZ  LYS A   4      -7.083  10.111  -2.452  1.00  0.00           N  
ATOM     57  H   LYS A   4      -3.563   5.592  -2.060  1.00  0.00           H  
ATOM     58  HA  LYS A   4      -2.168   7.221  -1.179  1.00  0.00           H  
ATOM     59  HB2 LYS A   4      -4.289   8.081   0.763  1.00  0.00           H  
ATOM     60  HB3 LYS A   4      -3.059   9.051  -0.050  1.00  0.00           H  
ATOM     61  HG2 LYS A   4      -4.450   8.103  -2.208  1.00  0.00           H  
ATOM     62  HG3 LYS A   4      -5.745   8.211  -1.015  1.00  0.00           H  
ATOM     63  HD2 LYS A   4      -4.187  10.575  -0.742  1.00  0.00           H  
ATOM     64  HD3 LYS A   4      -4.477  10.347  -2.467  1.00  0.00           H  
ATOM     65  HE2 LYS A   4      -6.665  10.168  -0.382  1.00  0.00           H  
ATOM     66  HE3 LYS A   4      -6.278  11.652  -1.253  1.00  0.00           H  
ATOM     67  HZ1 LYS A   4      -7.155  10.873  -3.155  1.00  0.00           H  
ATOM     68  HZ2 LYS A   4      -8.035   9.854  -2.118  1.00  0.00           H  
ATOM     69  HZ3 LYS A   4      -6.632   9.282  -2.888  1.00  0.00           H  
ATOM     70  N   PRO A   5      -2.340   4.939   0.711  1.00  0.00           N  
ATOM     71  CA  PRO A   5      -1.787   4.205   1.867  1.00  0.00           C  
ATOM     72  C   PRO A   5      -0.274   4.415   1.927  1.00  0.00           C  
ATOM     73  O   PRO A   5       0.457   3.928   1.088  1.00  0.00           O  
ATOM     74  CB  PRO A   5      -2.108   2.739   1.566  1.00  0.00           C  
ATOM     75  CG  PRO A   5      -2.298   2.649   0.037  1.00  0.00           C  
ATOM     76  CD  PRO A   5      -2.738   4.050  -0.419  1.00  0.00           C  
ATOM     77  HA  PRO A   5      -2.260   4.513   2.785  1.00  0.00           H  
ATOM     78  HB2 PRO A   5      -1.288   2.107   1.882  1.00  0.00           H  
ATOM     79  HB3 PRO A   5      -3.019   2.447   2.064  1.00  0.00           H  
ATOM     80  HG2 PRO A   5      -1.363   2.377  -0.436  1.00  0.00           H  
ATOM     81  HG3 PRO A   5      -3.062   1.928  -0.204  1.00  0.00           H  
ATOM     82  HD2 PRO A   5      -2.240   4.330  -1.339  1.00  0.00           H  
ATOM     83  HD3 PRO A   5      -3.811   4.067  -0.550  1.00  0.00           H  
ATOM     84  N   GLU A   6       0.208   5.144   2.895  1.00  0.00           N  
ATOM     85  CA  GLU A   6       1.673   5.379   2.970  1.00  0.00           C  
ATOM     86  C   GLU A   6       2.401   4.053   2.937  1.00  0.00           C  
ATOM     87  O   GLU A   6       3.553   3.972   2.560  1.00  0.00           O  
ATOM     88  CB  GLU A   6       2.023   6.142   4.250  1.00  0.00           C  
ATOM     89  CG  GLU A   6       1.797   5.238   5.465  1.00  0.00           C  
ATOM     90  CD  GLU A   6       1.782   6.088   6.737  1.00  0.00           C  
ATOM     91  OE1 GLU A   6       2.653   6.931   6.871  1.00  0.00           O  
ATOM     92  OE2 GLU A   6       0.900   5.882   7.555  1.00  0.00           O  
ATOM     93  H   GLU A   6      -0.387   5.541   3.558  1.00  0.00           H  
ATOM     94  HA  GLU A   6       1.970   5.941   2.114  1.00  0.00           H  
ATOM     95  HB2 GLU A   6       3.060   6.446   4.215  1.00  0.00           H  
ATOM     96  HB3 GLU A   6       1.395   7.015   4.333  1.00  0.00           H  
ATOM     97  HG2 GLU A   6       0.851   4.725   5.362  1.00  0.00           H  
ATOM     98  HG3 GLU A   6       2.594   4.512   5.529  1.00  0.00           H  
ATOM     99  N   ALA A   7       1.733   3.009   3.286  1.00  0.00           N  
ATOM    100  CA  ALA A   7       2.374   1.687   3.232  1.00  0.00           C  
ATOM    101  C   ALA A   7       3.594   1.624   4.155  1.00  0.00           C  
ATOM    102  O   ALA A   7       4.261   2.616   4.368  1.00  0.00           O  
ATOM    103  CB  ALA A   7       2.820   1.454   1.820  1.00  0.00           C  
ATOM    104  H   ALA A   7       0.798   3.089   3.554  1.00  0.00           H  
ATOM    105  HA  ALA A   7       1.662   0.943   3.496  1.00  0.00           H  
ATOM    106  HB1 ALA A   7       3.121   0.429   1.699  1.00  0.00           H  
ATOM    107  HB2 ALA A   7       3.651   2.108   1.602  1.00  0.00           H  
ATOM    108  HB3 ALA A   7       2.000   1.676   1.152  1.00  0.00           H  
ATOM    109  N   PRO A   8       3.848   0.449   4.673  1.00  0.00           N  
ATOM    110  CA  PRO A   8       4.982   0.209   5.580  1.00  0.00           C  
ATOM    111  C   PRO A   8       6.286  -0.059   4.802  1.00  0.00           C  
ATOM    112  O   PRO A   8       7.012   0.852   4.457  1.00  0.00           O  
ATOM    113  CB  PRO A   8       4.551  -1.044   6.349  1.00  0.00           C  
ATOM    114  CG  PRO A   8       3.519  -1.772   5.449  1.00  0.00           C  
ATOM    115  CD  PRO A   8       3.012  -0.741   4.425  1.00  0.00           C  
ATOM    116  HA  PRO A   8       5.103   1.036   6.252  1.00  0.00           H  
ATOM    117  HB2 PRO A   8       5.405  -1.680   6.534  1.00  0.00           H  
ATOM    118  HB3 PRO A   8       4.085  -0.765   7.281  1.00  0.00           H  
ATOM    119  HG2 PRO A   8       3.993  -2.598   4.937  1.00  0.00           H  
ATOM    120  HG3 PRO A   8       2.694  -2.128   6.043  1.00  0.00           H  
ATOM    121  HD2 PRO A   8       3.155  -1.108   3.417  1.00  0.00           H  
ATOM    122  HD3 PRO A   8       1.973  -0.511   4.604  1.00  0.00           H  
ATOM    123  N   GLY A   9       6.591  -1.309   4.539  1.00  0.00           N  
ATOM    124  CA  GLY A   9       7.839  -1.654   3.804  1.00  0.00           C  
ATOM    125  C   GLY A   9       9.008  -1.756   4.791  1.00  0.00           C  
ATOM    126  O   GLY A   9       8.899  -1.336   5.924  1.00  0.00           O  
ATOM    127  H   GLY A   9       6.001  -2.022   4.827  1.00  0.00           H  
ATOM    128  HA2 GLY A   9       7.704  -2.599   3.306  1.00  0.00           H  
ATOM    129  HA3 GLY A   9       8.049  -0.893   3.083  1.00  0.00           H  
ATOM    130  N   GLU A  10      10.129  -2.303   4.375  1.00  0.00           N  
ATOM    131  CA  GLU A  10      11.286  -2.409   5.320  1.00  0.00           C  
ATOM    132  C   GLU A  10      12.358  -3.386   4.801  1.00  0.00           C  
ATOM    133  O   GLU A  10      13.492  -3.349   5.234  1.00  0.00           O  
ATOM    134  CB  GLU A  10      10.782  -2.907   6.677  1.00  0.00           C  
ATOM    135  CG  GLU A  10       9.726  -3.992   6.457  1.00  0.00           C  
ATOM    136  CD  GLU A  10       9.934  -5.121   7.469  1.00  0.00           C  
ATOM    137  OE1 GLU A  10      10.864  -5.889   7.287  1.00  0.00           O  
ATOM    138  OE2 GLU A  10       9.158  -5.199   8.408  1.00  0.00           O  
ATOM    139  H   GLU A  10      10.209  -2.632   3.453  1.00  0.00           H  
ATOM    140  HA  GLU A  10      11.727  -1.435   5.443  1.00  0.00           H  
ATOM    141  HB2 GLU A  10      11.608  -3.317   7.239  1.00  0.00           H  
ATOM    142  HB3 GLU A  10      10.345  -2.086   7.226  1.00  0.00           H  
ATOM    143  HG2 GLU A  10       8.741  -3.568   6.585  1.00  0.00           H  
ATOM    144  HG3 GLU A  10       9.821  -4.387   5.456  1.00  0.00           H  
ATOM    145  N   ASP A  11      12.020  -4.261   3.895  1.00  0.00           N  
ATOM    146  CA  ASP A  11      13.030  -5.232   3.381  1.00  0.00           C  
ATOM    147  C   ASP A  11      14.283  -4.474   2.945  1.00  0.00           C  
ATOM    148  O   ASP A  11      15.397  -4.896   3.183  1.00  0.00           O  
ATOM    149  CB  ASP A  11      12.451  -5.996   2.187  1.00  0.00           C  
ATOM    150  CG  ASP A  11      12.891  -7.460   2.256  1.00  0.00           C  
ATOM    151  OD1 ASP A  11      13.759  -7.759   3.061  1.00  0.00           O  
ATOM    152  OD2 ASP A  11      12.354  -8.257   1.505  1.00  0.00           O  
ATOM    153  H   ASP A  11      11.113  -4.287   3.558  1.00  0.00           H  
ATOM    154  HA  ASP A  11      13.283  -5.927   4.163  1.00  0.00           H  
ATOM    155  HB2 ASP A  11      11.372  -5.941   2.213  1.00  0.00           H  
ATOM    156  HB3 ASP A  11      12.812  -5.557   1.269  1.00  0.00           H  
ATOM    157  N   ALA A  12      14.101  -3.347   2.325  1.00  0.00           N  
ATOM    158  CA  ALA A  12      15.255  -2.534   1.884  1.00  0.00           C  
ATOM    159  C   ALA A  12      15.201  -1.213   2.624  1.00  0.00           C  
ATOM    160  O   ALA A  12      16.179  -0.737   3.165  1.00  0.00           O  
ATOM    161  CB  ALA A  12      15.165  -2.250   0.379  1.00  0.00           C  
ATOM    162  H   ALA A  12      13.202  -3.027   2.165  1.00  0.00           H  
ATOM    163  HA  ALA A  12      16.163  -3.049   2.112  1.00  0.00           H  
ATOM    164  HB1 ALA A  12      14.453  -1.451   0.207  1.00  0.00           H  
ATOM    165  HB2 ALA A  12      14.835  -3.136  -0.140  1.00  0.00           H  
ATOM    166  HB3 ALA A  12      16.131  -1.950   0.005  1.00  0.00           H  
ATOM    167  N   SER A  13      14.046  -0.619   2.627  1.00  0.00           N  
ATOM    168  CA  SER A  13      13.862   0.688   3.293  1.00  0.00           C  
ATOM    169  C   SER A  13      12.338   0.902   3.356  1.00  0.00           C  
ATOM    170  O   SER A  13      11.630  -0.076   3.485  1.00  0.00           O  
ATOM    171  CB  SER A  13      14.578   1.724   2.428  1.00  0.00           C  
ATOM    172  OG  SER A  13      15.851   1.224   2.040  1.00  0.00           O  
ATOM    173  H   SER A  13      13.275  -1.039   2.162  1.00  0.00           H  
ATOM    174  HA  SER A  13      14.281   0.665   4.289  1.00  0.00           H  
ATOM    175  HB2 SER A  13      13.995   1.915   1.545  1.00  0.00           H  
ATOM    176  HB3 SER A  13      14.699   2.637   2.989  1.00  0.00           H  
ATOM    177  HG  SER A  13      16.107   1.662   1.225  1.00  0.00           H  
ATOM    178  N   PRO A  14      11.821   2.111   3.220  1.00  0.00           N  
ATOM    179  CA  PRO A  14      10.367   2.277   3.224  1.00  0.00           C  
ATOM    180  C   PRO A  14       9.822   1.831   1.860  1.00  0.00           C  
ATOM    181  O   PRO A  14       8.655   1.987   1.562  1.00  0.00           O  
ATOM    182  CB  PRO A  14      10.160   3.774   3.471  1.00  0.00           C  
ATOM    183  CG  PRO A  14      11.471   4.470   3.051  1.00  0.00           C  
ATOM    184  CD  PRO A  14      12.565   3.385   3.057  1.00  0.00           C  
ATOM    185  HA  PRO A  14       9.922   1.701   4.020  1.00  0.00           H  
ATOM    186  HB2 PRO A  14       9.334   4.137   2.875  1.00  0.00           H  
ATOM    187  HB3 PRO A  14       9.972   3.955   4.518  1.00  0.00           H  
ATOM    188  HG2 PRO A  14      11.366   4.889   2.060  1.00  0.00           H  
ATOM    189  HG3 PRO A  14      11.723   5.245   3.758  1.00  0.00           H  
ATOM    190  HD2 PRO A  14      13.095   3.403   2.118  1.00  0.00           H  
ATOM    191  HD3 PRO A  14      13.244   3.531   3.883  1.00  0.00           H  
ATOM    192  N   GLU A  15      10.676   1.268   1.027  1.00  0.00           N  
ATOM    193  CA  GLU A  15      10.236   0.805  -0.304  1.00  0.00           C  
ATOM    194  C   GLU A  15      10.497  -0.664  -0.486  1.00  0.00           C  
ATOM    195  O   GLU A  15       9.745  -1.315  -1.153  1.00  0.00           O  
ATOM    196  CB  GLU A  15      10.995   1.532  -1.401  1.00  0.00           C  
ATOM    197  CG  GLU A  15      12.456   1.085  -1.445  1.00  0.00           C  
ATOM    198  CD  GLU A  15      13.338   2.260  -1.869  1.00  0.00           C  
ATOM    199  OE1 GLU A  15      13.061   3.368  -1.441  1.00  0.00           O  
ATOM    200  OE2 GLU A  15      14.275   2.032  -2.617  1.00  0.00           O  
ATOM    201  H   GLU A  15      11.598   1.154   1.277  1.00  0.00           H  
ATOM    202  HA  GLU A  15       9.199   0.979  -0.410  1.00  0.00           H  
ATOM    203  HB2 GLU A  15      10.544   1.284  -2.334  1.00  0.00           H  
ATOM    204  HB3 GLU A  15      10.948   2.587  -1.234  1.00  0.00           H  
ATOM    205  HG2 GLU A  15      12.759   0.742  -0.473  1.00  0.00           H  
ATOM    206  HG3 GLU A  15      12.562   0.283  -2.164  1.00  0.00           H  
ATOM    207  N   GLU A  16      11.572  -1.144   0.073  1.00  0.00           N  
ATOM    208  CA  GLU A  16      11.995  -2.568  -0.049  1.00  0.00           C  
ATOM    209  C   GLU A  16      12.053  -3.013  -1.522  1.00  0.00           C  
ATOM    210  O   GLU A  16      13.095  -3.383  -2.027  1.00  0.00           O  
ATOM    211  CB  GLU A  16      11.102  -3.509   0.772  1.00  0.00           C  
ATOM    212  CG  GLU A  16       9.795  -2.832   1.158  1.00  0.00           C  
ATOM    213  CD  GLU A  16       8.866  -3.863   1.807  1.00  0.00           C  
ATOM    214  OE1 GLU A  16       9.240  -4.421   2.822  1.00  0.00           O  
ATOM    215  OE2 GLU A  16       7.792  -4.076   1.271  1.00  0.00           O  
ATOM    216  H   GLU A  16      12.137  -0.543   0.573  1.00  0.00           H  
ATOM    217  HA  GLU A  16      12.980  -2.626   0.346  1.00  0.00           H  
ATOM    218  HB2 GLU A  16      10.892  -4.389   0.198  1.00  0.00           H  
ATOM    219  HB3 GLU A  16      11.628  -3.794   1.671  1.00  0.00           H  
ATOM    220  HG2 GLU A  16       9.998  -2.024   1.845  1.00  0.00           H  
ATOM    221  HG3 GLU A  16       9.322  -2.445   0.286  1.00  0.00           H  
ATOM    222  N   LEU A  17      10.948  -3.005  -2.196  1.00  0.00           N  
ATOM    223  CA  LEU A  17      10.916  -3.447  -3.618  1.00  0.00           C  
ATOM    224  C   LEU A  17      10.281  -2.395  -4.554  1.00  0.00           C  
ATOM    225  O   LEU A  17       9.388  -2.712  -5.307  1.00  0.00           O  
ATOM    226  CB  LEU A  17      10.107  -4.747  -3.731  1.00  0.00           C  
ATOM    227  CG  LEU A  17       8.831  -4.668  -2.877  1.00  0.00           C  
ATOM    228  CD1 LEU A  17       9.201  -4.769  -1.403  1.00  0.00           C  
ATOM    229  CD2 LEU A  17       8.100  -3.343  -3.122  1.00  0.00           C  
ATOM    230  H   LEU A  17      10.146  -2.735  -1.758  1.00  0.00           H  
ATOM    231  HA  LEU A  17      11.920  -3.637  -3.933  1.00  0.00           H  
ATOM    232  HB2 LEU A  17       9.836  -4.911  -4.763  1.00  0.00           H  
ATOM    233  HB3 LEU A  17      10.712  -5.573  -3.387  1.00  0.00           H  
ATOM    234  HG  LEU A  17       8.179  -5.491  -3.136  1.00  0.00           H  
ATOM    235 HD11 LEU A  17      10.260  -4.961  -1.322  1.00  0.00           H  
ATOM    236 HD12 LEU A  17       8.649  -5.569  -0.942  1.00  0.00           H  
ATOM    237 HD13 LEU A  17       8.968  -3.835  -0.908  1.00  0.00           H  
ATOM    238 HD21 LEU A  17       7.204  -3.318  -2.526  1.00  0.00           H  
ATOM    239 HD22 LEU A  17       7.835  -3.262  -4.158  1.00  0.00           H  
ATOM    240 HD23 LEU A  17       8.735  -2.512  -2.848  1.00  0.00           H  
ATOM    241  N   SER A  18      10.721  -1.161  -4.525  1.00  0.00           N  
ATOM    242  CA  SER A  18      10.144  -0.127  -5.425  1.00  0.00           C  
ATOM    243  C   SER A  18       9.003   0.555  -4.729  1.00  0.00           C  
ATOM    244  O   SER A  18       7.879   0.164  -4.853  1.00  0.00           O  
ATOM    245  CB  SER A  18       9.694  -0.738  -6.745  1.00  0.00           C  
ATOM    246  OG  SER A  18       9.918   0.194  -7.796  1.00  0.00           O  
ATOM    247  H   SER A  18      11.424  -0.906  -3.913  1.00  0.00           H  
ATOM    248  HA  SER A  18      10.878   0.599  -5.617  1.00  0.00           H  
ATOM    249  HB2 SER A  18      10.264  -1.633  -6.933  1.00  0.00           H  
ATOM    250  HB3 SER A  18       8.649  -0.984  -6.685  1.00  0.00           H  
ATOM    251  HG  SER A  18      10.621   0.788  -7.523  1.00  0.00           H  
ATOM    252  N   ARG A  19       9.328   1.576  -3.988  1.00  0.00           N  
ATOM    253  CA  ARG A  19       8.320   2.342  -3.211  1.00  0.00           C  
ATOM    254  C   ARG A  19       7.251   1.382  -2.697  1.00  0.00           C  
ATOM    255  O   ARG A  19       6.071   1.674  -2.712  1.00  0.00           O  
ATOM    256  CB  ARG A  19       7.696   3.452  -4.065  1.00  0.00           C  
ATOM    257  CG  ARG A  19       7.843   3.164  -5.565  1.00  0.00           C  
ATOM    258  CD  ARG A  19       6.639   2.357  -6.050  1.00  0.00           C  
ATOM    259  NE  ARG A  19       5.554   3.280  -6.480  1.00  0.00           N  
ATOM    260  CZ  ARG A  19       5.647   3.920  -7.614  1.00  0.00           C  
ATOM    261  NH1 ARG A  19       6.789   3.969  -8.246  1.00  0.00           N  
ATOM    262  NH2 ARG A  19       4.597   4.510  -8.119  1.00  0.00           N  
ATOM    263  H   ARG A  19      10.263   1.833  -3.937  1.00  0.00           H  
ATOM    264  HA  ARG A  19       8.814   2.792  -2.360  1.00  0.00           H  
ATOM    265  HB2 ARG A  19       6.653   3.534  -3.823  1.00  0.00           H  
ATOM    266  HB3 ARG A  19       8.193   4.382  -3.836  1.00  0.00           H  
ATOM    267  HG2 ARG A  19       7.884   4.101  -6.102  1.00  0.00           H  
ATOM    268  HG3 ARG A  19       8.747   2.611  -5.750  1.00  0.00           H  
ATOM    269  HD2 ARG A  19       6.930   1.742  -6.884  1.00  0.00           H  
ATOM    270  HD3 ARG A  19       6.279   1.729  -5.247  1.00  0.00           H  
ATOM    271  HE  ARG A  19       4.767   3.400  -5.914  1.00  0.00           H  
ATOM    272 HH11 ARG A  19       7.593   3.516  -7.861  1.00  0.00           H  
ATOM    273 HH12 ARG A  19       6.860   4.458  -9.115  1.00  0.00           H  
ATOM    274 HH21 ARG A  19       3.721   4.471  -7.637  1.00  0.00           H  
ATOM    275 HH22 ARG A  19       4.668   5.002  -8.986  1.00  0.00           H  
ATOM    276  N   TYR A  20       7.674   0.219  -2.261  1.00  0.00           N  
ATOM    277  CA  TYR A  20       6.721  -0.803  -1.759  1.00  0.00           C  
ATOM    278  C   TYR A  20       5.538  -0.835  -2.706  1.00  0.00           C  
ATOM    279  O   TYR A  20       4.435  -1.172  -2.363  1.00  0.00           O  
ATOM    280  CB  TYR A  20       6.270  -0.451  -0.354  1.00  0.00           C  
ATOM    281  CG  TYR A  20       5.411   0.778  -0.404  1.00  0.00           C  
ATOM    282  CD1 TYR A  20       4.052   0.668  -0.726  1.00  0.00           C  
ATOM    283  CD2 TYR A  20       5.964   2.029  -0.132  1.00  0.00           C  
ATOM    284  CE1 TYR A  20       3.253   1.798  -0.780  1.00  0.00           C  
ATOM    285  CE2 TYR A  20       5.155   3.165  -0.182  1.00  0.00           C  
ATOM    286  CZ  TYR A  20       3.799   3.041  -0.506  1.00  0.00           C  
ATOM    287  OH  TYR A  20       3.000   4.165  -0.554  1.00  0.00           O  
ATOM    288  H   TYR A  20       8.621   0.018  -2.285  1.00  0.00           H  
ATOM    289  HA  TYR A  20       7.204  -1.761  -1.746  1.00  0.00           H  
ATOM    290  HB2 TYR A  20       5.706  -1.275   0.053  1.00  0.00           H  
ATOM    291  HB3 TYR A  20       7.136  -0.262   0.259  1.00  0.00           H  
ATOM    292  HD1 TYR A  20       3.621  -0.292  -0.928  1.00  0.00           H  
ATOM    293  HD2 TYR A  20       7.012   2.118   0.116  1.00  0.00           H  
ATOM    294  HE1 TYR A  20       2.206   1.709  -1.024  1.00  0.00           H  
ATOM    295  HE2 TYR A  20       5.576   4.138   0.027  1.00  0.00           H  
ATOM    296  HH  TYR A  20       3.524   4.913  -0.262  1.00  0.00           H  
ATOM    297  N   TYR A  21       5.793  -0.501  -3.918  1.00  0.00           N  
ATOM    298  CA  TYR A  21       4.742  -0.491  -4.944  1.00  0.00           C  
ATOM    299  C   TYR A  21       3.924  -1.783  -4.765  1.00  0.00           C  
ATOM    300  O   TYR A  21       2.713  -1.838  -4.920  1.00  0.00           O  
ATOM    301  CB  TYR A  21       5.448  -0.480  -6.312  1.00  0.00           C  
ATOM    302  CG  TYR A  21       5.770  -1.898  -6.632  1.00  0.00           C  
ATOM    303  CD1 TYR A  21       6.919  -2.465  -6.107  1.00  0.00           C  
ATOM    304  CD2 TYR A  21       4.861  -2.673  -7.355  1.00  0.00           C  
ATOM    305  CE1 TYR A  21       7.184  -3.814  -6.311  1.00  0.00           C  
ATOM    306  CE2 TYR A  21       5.113  -4.028  -7.549  1.00  0.00           C  
ATOM    307  CZ  TYR A  21       6.276  -4.595  -7.026  1.00  0.00           C  
ATOM    308  OH  TYR A  21       6.529  -5.938  -7.215  1.00  0.00           O  
ATOM    309  H   TYR A  21       6.696  -0.278  -4.161  1.00  0.00           H  
ATOM    310  HA  TYR A  21       4.130   0.381  -4.826  1.00  0.00           H  
ATOM    311  HB2 TYR A  21       4.813  -0.057  -7.065  1.00  0.00           H  
ATOM    312  HB3 TYR A  21       6.360   0.085  -6.247  1.00  0.00           H  
ATOM    313  HD1 TYR A  21       7.606  -1.854  -5.548  1.00  0.00           H  
ATOM    314  HD2 TYR A  21       3.967  -2.222  -7.761  1.00  0.00           H  
ATOM    315  HE1 TYR A  21       8.082  -4.257  -5.909  1.00  0.00           H  
ATOM    316  HE2 TYR A  21       4.416  -4.636  -8.106  1.00  0.00           H  
ATOM    317  HH  TYR A  21       5.979  -6.245  -7.939  1.00  0.00           H  
ATOM    318  N   ALA A  22       4.625  -2.826  -4.422  1.00  0.00           N  
ATOM    319  CA  ALA A  22       3.976  -4.137  -4.214  1.00  0.00           C  
ATOM    320  C   ALA A  22       2.944  -3.999  -3.110  1.00  0.00           C  
ATOM    321  O   ALA A  22       1.824  -4.424  -3.242  1.00  0.00           O  
ATOM    322  CB  ALA A  22       5.027  -5.176  -3.813  1.00  0.00           C  
ATOM    323  H   ALA A  22       5.591  -2.734  -4.295  1.00  0.00           H  
ATOM    324  HA  ALA A  22       3.496  -4.444  -5.126  1.00  0.00           H  
ATOM    325  HB1 ALA A  22       4.746  -6.142  -4.205  1.00  0.00           H  
ATOM    326  HB2 ALA A  22       5.090  -5.229  -2.736  1.00  0.00           H  
ATOM    327  HB3 ALA A  22       5.988  -4.890  -4.215  1.00  0.00           H  
ATOM    328  N   SER A  23       3.317  -3.410  -2.016  1.00  0.00           N  
ATOM    329  CA  SER A  23       2.357  -3.247  -0.902  1.00  0.00           C  
ATOM    330  C   SER A  23       1.178  -2.381  -1.348  1.00  0.00           C  
ATOM    331  O   SER A  23       0.108  -2.468  -0.788  1.00  0.00           O  
ATOM    332  CB  SER A  23       3.058  -2.609   0.297  1.00  0.00           C  
ATOM    333  OG  SER A  23       2.400  -3.011   1.491  1.00  0.00           O  
ATOM    334  H   SER A  23       4.228  -3.085  -1.926  1.00  0.00           H  
ATOM    335  HA  SER A  23       1.990  -4.210  -0.627  1.00  0.00           H  
ATOM    336  HB2 SER A  23       4.084  -2.935   0.332  1.00  0.00           H  
ATOM    337  HB3 SER A  23       3.028  -1.536   0.202  1.00  0.00           H  
ATOM    338  HG  SER A  23       3.068  -3.142   2.169  1.00  0.00           H  
ATOM    339  N   LEU A  24       1.362  -1.567  -2.361  1.00  0.00           N  
ATOM    340  CA  LEU A  24       0.247  -0.698  -2.866  1.00  0.00           C  
ATOM    341  C   LEU A  24      -1.089  -1.428  -2.739  1.00  0.00           C  
ATOM    342  O   LEU A  24      -2.126  -0.823  -2.559  1.00  0.00           O  
ATOM    343  CB  LEU A  24       0.495  -0.375  -4.336  1.00  0.00           C  
ATOM    344  CG  LEU A  24       1.754   0.475  -4.456  1.00  0.00           C  
ATOM    345  CD1 LEU A  24       2.111   0.640  -5.932  1.00  0.00           C  
ATOM    346  CD2 LEU A  24       1.502   1.842  -3.827  1.00  0.00           C  
ATOM    347  H   LEU A  24       2.237  -1.535  -2.801  1.00  0.00           H  
ATOM    348  HA  LEU A  24       0.214   0.218  -2.298  1.00  0.00           H  
ATOM    349  HB2 LEU A  24       0.624  -1.295  -4.889  1.00  0.00           H  
ATOM    350  HB3 LEU A  24      -0.346   0.171  -4.734  1.00  0.00           H  
ATOM    351  HG  LEU A  24       2.567  -0.014  -3.940  1.00  0.00           H  
ATOM    352 HD11 LEU A  24       1.206   0.747  -6.511  1.00  0.00           H  
ATOM    353 HD12 LEU A  24       2.653  -0.232  -6.270  1.00  0.00           H  
ATOM    354 HD13 LEU A  24       2.726   1.517  -6.057  1.00  0.00           H  
ATOM    355 HD21 LEU A  24       0.450   2.078  -3.891  1.00  0.00           H  
ATOM    356 HD22 LEU A  24       2.075   2.591  -4.350  1.00  0.00           H  
ATOM    357 HD23 LEU A  24       1.801   1.818  -2.792  1.00  0.00           H  
ATOM    358  N   ARG A  25      -1.050  -2.727  -2.839  1.00  0.00           N  
ATOM    359  CA  ARG A  25      -2.299  -3.556  -2.728  1.00  0.00           C  
ATOM    360  C   ARG A  25      -3.286  -2.891  -1.778  1.00  0.00           C  
ATOM    361  O   ARG A  25      -4.443  -2.675  -2.103  1.00  0.00           O  
ATOM    362  CB  ARG A  25      -1.971  -4.946  -2.151  1.00  0.00           C  
ATOM    363  CG  ARG A  25      -0.527  -5.360  -2.476  1.00  0.00           C  
ATOM    364  CD  ARG A  25      -0.334  -5.450  -3.996  1.00  0.00           C  
ATOM    365  NE  ARG A  25      -1.648  -5.723  -4.633  1.00  0.00           N  
ATOM    366  CZ  ARG A  25      -1.759  -6.668  -5.526  1.00  0.00           C  
ATOM    367  NH1 ARG A  25      -0.766  -6.922  -6.335  1.00  0.00           N  
ATOM    368  NH2 ARG A  25      -2.861  -7.364  -5.607  1.00  0.00           N  
ATOM    369  H   ARG A  25      -0.186  -3.157  -2.991  1.00  0.00           H  
ATOM    370  HA  ARG A  25      -2.752  -3.658  -3.698  1.00  0.00           H  
ATOM    371  HB2 ARG A  25      -2.098  -4.922  -1.079  1.00  0.00           H  
ATOM    372  HB3 ARG A  25      -2.651  -5.672  -2.571  1.00  0.00           H  
ATOM    373  HG2 ARG A  25       0.156  -4.637  -2.061  1.00  0.00           H  
ATOM    374  HG3 ARG A  25      -0.329  -6.326  -2.037  1.00  0.00           H  
ATOM    375  HD2 ARG A  25       0.066  -4.515  -4.370  1.00  0.00           H  
ATOM    376  HD3 ARG A  25       0.357  -6.251  -4.229  1.00  0.00           H  
ATOM    377  HE  ARG A  25      -2.434  -5.201  -4.362  1.00  0.00           H  
ATOM    378 HH11 ARG A  25       0.080  -6.393  -6.269  1.00  0.00           H  
ATOM    379 HH12 ARG A  25      -0.850  -7.649  -7.018  1.00  0.00           H  
ATOM    380 HH21 ARG A  25      -3.620  -7.173  -4.985  1.00  0.00           H  
ATOM    381 HH22 ARG A  25      -2.944  -8.091  -6.289  1.00  0.00           H  
ATOM    382  N   HIS A  26      -2.817  -2.602  -0.596  1.00  0.00           N  
ATOM    383  CA  HIS A  26      -3.676  -1.960   0.461  1.00  0.00           C  
ATOM    384  C   HIS A  26      -4.834  -1.236  -0.168  1.00  0.00           C  
ATOM    385  O   HIS A  26      -5.983  -1.449   0.135  1.00  0.00           O  
ATOM    386  CB  HIS A  26      -2.928  -0.864   1.230  1.00  0.00           C  
ATOM    387  CG  HIS A  26      -1.505  -0.719   0.795  1.00  0.00           C  
ATOM    388  ND1 HIS A  26      -0.455  -1.204   1.550  1.00  0.00           N  
ATOM    389  CD2 HIS A  26      -0.940  -0.051  -0.258  1.00  0.00           C  
ATOM    390  CE1 HIS A  26       0.683  -0.816   0.953  1.00  0.00           C  
ATOM    391  NE2 HIS A  26       0.446  -0.111  -0.156  1.00  0.00           N  
ATOM    392  H   HIS A  26      -1.891  -2.833  -0.403  1.00  0.00           H  
ATOM    393  HA  HIS A  26      -4.032  -2.699   1.154  1.00  0.00           H  
ATOM    394  HB2 HIS A  26      -3.430   0.083   1.052  1.00  0.00           H  
ATOM    395  HB3 HIS A  26      -2.964  -1.084   2.277  1.00  0.00           H  
ATOM    396  HD1 HIS A  26      -0.528  -1.735   2.371  1.00  0.00           H  
ATOM    397  HD2 HIS A  26      -1.489   0.462  -1.035  1.00  0.00           H  
ATOM    398  HE1 HIS A  26       1.664  -1.050   1.319  1.00  0.00           H  
ATOM    399  N   TYR A  27      -4.496  -0.314  -0.986  1.00  0.00           N  
ATOM    400  CA  TYR A  27      -5.503   0.540  -1.607  1.00  0.00           C  
ATOM    401  C   TYR A  27      -6.865  -0.136  -1.788  1.00  0.00           C  
ATOM    402  O   TYR A  27      -7.738   0.018  -0.968  1.00  0.00           O  
ATOM    403  CB  TYR A  27      -5.030   1.037  -2.948  1.00  0.00           C  
ATOM    404  CG  TYR A  27      -6.080   1.977  -3.456  1.00  0.00           C  
ATOM    405  CD1 TYR A  27      -7.078   2.469  -2.591  1.00  0.00           C  
ATOM    406  CD2 TYR A  27      -6.073   2.368  -4.794  1.00  0.00           C  
ATOM    407  CE1 TYR A  27      -8.043   3.332  -3.058  1.00  0.00           C  
ATOM    408  CE2 TYR A  27      -7.052   3.242  -5.255  1.00  0.00           C  
ATOM    409  CZ  TYR A  27      -8.030   3.718  -4.375  1.00  0.00           C  
ATOM    410  OH  TYR A  27      -9.003   4.580  -4.837  1.00  0.00           O  
ATOM    411  H   TYR A  27      -3.548  -0.139  -1.149  1.00  0.00           H  
ATOM    412  HA  TYR A  27      -5.636   1.396  -0.967  1.00  0.00           H  
ATOM    413  HB2 TYR A  27      -4.089   1.558  -2.837  1.00  0.00           H  
ATOM    414  HB3 TYR A  27      -4.919   0.210  -3.633  1.00  0.00           H  
ATOM    415  HD1 TYR A  27      -7.096   2.176  -1.555  1.00  0.00           H  
ATOM    416  HD2 TYR A  27      -5.315   1.996  -5.466  1.00  0.00           H  
ATOM    417  HE1 TYR A  27      -8.807   3.701  -2.395  1.00  0.00           H  
ATOM    418  HE2 TYR A  27      -7.057   3.556  -6.289  1.00  0.00           H  
ATOM    419  HH  TYR A  27      -8.568   5.329  -5.249  1.00  0.00           H  
ATOM    420  N   LEU A  28      -7.093  -0.822  -2.874  1.00  0.00           N  
ATOM    421  CA  LEU A  28      -8.438  -1.408  -3.073  1.00  0.00           C  
ATOM    422  C   LEU A  28      -8.526  -2.806  -2.479  1.00  0.00           C  
ATOM    423  O   LEU A  28      -9.331  -3.626  -2.868  1.00  0.00           O  
ATOM    424  CB  LEU A  28      -8.824  -1.390  -4.545  1.00  0.00           C  
ATOM    425  CG  LEU A  28      -9.796  -0.220  -4.764  1.00  0.00           C  
ATOM    426  CD1 LEU A  28     -11.042  -0.415  -3.892  1.00  0.00           C  
ATOM    427  CD2 LEU A  28      -9.121   1.095  -4.358  1.00  0.00           C  
ATOM    428  H   LEU A  28      -6.416  -0.910  -3.555  1.00  0.00           H  
ATOM    429  HA  LEU A  28      -9.131  -0.783  -2.542  1.00  0.00           H  
ATOM    430  HB2 LEU A  28      -7.940  -1.254  -5.153  1.00  0.00           H  
ATOM    431  HB3 LEU A  28      -9.311  -2.317  -4.806  1.00  0.00           H  
ATOM    432  HG  LEU A  28     -10.084  -0.177  -5.805  1.00  0.00           H  
ATOM    433 HD11 LEU A  28     -10.830  -0.090  -2.882  1.00  0.00           H  
ATOM    434 HD12 LEU A  28     -11.320  -1.457  -3.883  1.00  0.00           H  
ATOM    435 HD13 LEU A  28     -11.858   0.172  -4.290  1.00  0.00           H  
ATOM    436 HD21 LEU A  28      -9.003   1.123  -3.283  1.00  0.00           H  
ATOM    437 HD22 LEU A  28      -9.735   1.928  -4.671  1.00  0.00           H  
ATOM    438 HD23 LEU A  28      -8.152   1.167  -4.828  1.00  0.00           H  
ATOM    439  N   ASN A  29      -7.740  -3.043  -1.489  1.00  0.00           N  
ATOM    440  CA  ASN A  29      -7.798  -4.326  -0.761  1.00  0.00           C  
ATOM    441  C   ASN A  29      -7.745  -3.986   0.748  1.00  0.00           C  
ATOM    442  O   ASN A  29      -7.633  -4.842   1.602  1.00  0.00           O  
ATOM    443  CB  ASN A  29      -6.660  -5.264  -1.220  1.00  0.00           C  
ATOM    444  CG  ASN A  29      -5.619  -5.426  -0.121  1.00  0.00           C  
ATOM    445  OD1 ASN A  29      -5.203  -6.523   0.194  1.00  0.00           O  
ATOM    446  ND2 ASN A  29      -5.186  -4.365   0.477  1.00  0.00           N  
ATOM    447  H   ASN A  29      -7.138  -2.348  -1.190  1.00  0.00           H  
ATOM    448  HA  ASN A  29      -8.742  -4.778  -0.970  1.00  0.00           H  
ATOM    449  HB2 ASN A  29      -7.072  -6.232  -1.464  1.00  0.00           H  
ATOM    450  HB3 ASN A  29      -6.189  -4.847  -2.099  1.00  0.00           H  
ATOM    451 HD21 ASN A  29      -5.532  -3.483   0.211  1.00  0.00           H  
ATOM    452 HD22 ASN A  29      -4.537  -4.441   1.196  1.00  0.00           H  
ATOM    453  N   LEU A  30      -7.851  -2.709   1.046  1.00  0.00           N  
ATOM    454  CA  LEU A  30      -7.844  -2.195   2.440  1.00  0.00           C  
ATOM    455  C   LEU A  30      -8.963  -1.149   2.543  1.00  0.00           C  
ATOM    456  O   LEU A  30      -9.584  -0.968   3.564  1.00  0.00           O  
ATOM    457  CB  LEU A  30      -6.461  -1.560   2.755  1.00  0.00           C  
ATOM    458  CG  LEU A  30      -6.550  -0.034   2.974  1.00  0.00           C  
ATOM    459  CD1 LEU A  30      -6.534   0.264   4.471  1.00  0.00           C  
ATOM    460  CD2 LEU A  30      -5.359   0.648   2.301  1.00  0.00           C  
ATOM    461  H   LEU A  30      -7.954  -2.078   0.337  1.00  0.00           H  
ATOM    462  HA  LEU A  30      -8.041  -3.004   3.114  1.00  0.00           H  
ATOM    463  HB2 LEU A  30      -6.065  -2.010   3.643  1.00  0.00           H  
ATOM    464  HB3 LEU A  30      -5.786  -1.756   1.942  1.00  0.00           H  
ATOM    465  HG  LEU A  30      -7.457   0.353   2.552  1.00  0.00           H  
ATOM    466 HD11 LEU A  30      -7.110  -0.486   4.991  1.00  0.00           H  
ATOM    467 HD12 LEU A  30      -6.967   1.237   4.648  1.00  0.00           H  
ATOM    468 HD13 LEU A  30      -5.517   0.250   4.829  1.00  0.00           H  
ATOM    469 HD21 LEU A  30      -5.363   1.699   2.546  1.00  0.00           H  
ATOM    470 HD22 LEU A  30      -5.438   0.529   1.230  1.00  0.00           H  
ATOM    471 HD23 LEU A  30      -4.443   0.198   2.648  1.00  0.00           H  
ATOM    472  N   VAL A  31      -9.186  -0.441   1.471  1.00  0.00           N  
ATOM    473  CA  VAL A  31     -10.219   0.605   1.430  1.00  0.00           C  
ATOM    474  C   VAL A  31     -11.411   0.063   0.637  1.00  0.00           C  
ATOM    475  O   VAL A  31     -12.536   0.502   0.767  1.00  0.00           O  
ATOM    476  CB  VAL A  31      -9.631   1.838   0.715  1.00  0.00           C  
ATOM    477  CG1 VAL A  31      -8.141   1.969   1.042  1.00  0.00           C  
ATOM    478  CG2 VAL A  31      -9.773   1.674  -0.801  1.00  0.00           C  
ATOM    479  H   VAL A  31      -8.658  -0.588   0.688  1.00  0.00           H  
ATOM    480  HA  VAL A  31     -10.509   0.849   2.417  1.00  0.00           H  
ATOM    481  HB  VAL A  31     -10.147   2.726   1.034  1.00  0.00           H  
ATOM    482 HG11 VAL A  31      -7.651   1.025   0.861  1.00  0.00           H  
ATOM    483 HG12 VAL A  31      -8.018   2.247   2.076  1.00  0.00           H  
ATOM    484 HG13 VAL A  31      -7.700   2.726   0.411  1.00  0.00           H  
ATOM    485 HG21 VAL A  31      -9.753   0.624  -1.052  1.00  0.00           H  
ATOM    486 HG22 VAL A  31      -8.956   2.174  -1.289  1.00  0.00           H  
ATOM    487 HG23 VAL A  31     -10.706   2.103  -1.127  1.00  0.00           H  
ATOM    488  N   THR A  32     -11.125  -0.878  -0.206  1.00  0.00           N  
ATOM    489  CA  THR A  32     -12.143  -1.501  -1.082  1.00  0.00           C  
ATOM    490  C   THR A  32     -13.478  -1.741  -0.354  1.00  0.00           C  
ATOM    491  O   THR A  32     -14.368  -0.916  -0.409  1.00  0.00           O  
ATOM    492  CB  THR A  32     -11.558  -2.815  -1.594  1.00  0.00           C  
ATOM    493  OG1 THR A  32     -12.602  -3.703  -1.961  1.00  0.00           O  
ATOM    494  CG2 THR A  32     -10.690  -3.444  -0.510  1.00  0.00           C  
ATOM    495  H   THR A  32     -10.199  -1.177  -0.283  1.00  0.00           H  
ATOM    496  HA  THR A  32     -12.320  -0.851  -1.925  1.00  0.00           H  
ATOM    497  HB  THR A  32     -10.937  -2.611  -2.443  1.00  0.00           H  
ATOM    498  HG1 THR A  32     -13.157  -3.258  -2.606  1.00  0.00           H  
ATOM    499 HG21 THR A  32     -10.558  -4.491  -0.715  1.00  0.00           H  
ATOM    500 HG22 THR A  32     -11.165  -3.316   0.441  1.00  0.00           H  
ATOM    501 HG23 THR A  32      -9.726  -2.954  -0.497  1.00  0.00           H  
ATOM    502  N   ARG A  33     -13.659  -2.873   0.282  1.00  0.00           N  
ATOM    503  CA  ARG A  33     -14.979  -3.134   0.938  1.00  0.00           C  
ATOM    504  C   ARG A  33     -14.822  -3.463   2.423  1.00  0.00           C  
ATOM    505  O   ARG A  33     -15.650  -3.090   3.231  1.00  0.00           O  
ATOM    506  CB  ARG A  33     -15.668  -4.320   0.254  1.00  0.00           C  
ATOM    507  CG  ARG A  33     -15.174  -4.459  -1.188  1.00  0.00           C  
ATOM    508  CD  ARG A  33     -14.263  -5.685  -1.296  1.00  0.00           C  
ATOM    509  NE  ARG A  33     -15.090  -6.901  -1.532  1.00  0.00           N  
ATOM    510  CZ  ARG A  33     -14.592  -8.086  -1.302  1.00  0.00           C  
ATOM    511  NH1 ARG A  33     -14.096  -8.369  -0.129  1.00  0.00           N  
ATOM    512  NH2 ARG A  33     -14.593  -8.990  -2.244  1.00  0.00           N  
ATOM    513  H   ARG A  33     -12.959  -3.556   0.293  1.00  0.00           H  
ATOM    514  HA  ARG A  33     -15.604  -2.260   0.835  1.00  0.00           H  
ATOM    515  HB2 ARG A  33     -15.443  -5.226   0.798  1.00  0.00           H  
ATOM    516  HB3 ARG A  33     -16.736  -4.161   0.252  1.00  0.00           H  
ATOM    517  HG2 ARG A  33     -16.021  -4.580  -1.844  1.00  0.00           H  
ATOM    518  HG3 ARG A  33     -14.625  -3.576  -1.472  1.00  0.00           H  
ATOM    519  HD2 ARG A  33     -13.577  -5.552  -2.120  1.00  0.00           H  
ATOM    520  HD3 ARG A  33     -13.705  -5.801  -0.378  1.00  0.00           H  
ATOM    521  HE  ARG A  33     -16.009  -6.812  -1.862  1.00  0.00           H  
ATOM    522 HH11 ARG A  33     -14.098  -7.680   0.595  1.00  0.00           H  
ATOM    523 HH12 ARG A  33     -13.713  -9.276   0.046  1.00  0.00           H  
ATOM    524 HH21 ARG A  33     -14.976  -8.775  -3.143  1.00  0.00           H  
ATOM    525 HH22 ARG A  33     -14.208  -9.897  -2.068  1.00  0.00           H  
ATOM    526  N   GLN A  34     -13.799  -4.178   2.801  1.00  0.00           N  
ATOM    527  CA  GLN A  34     -13.659  -4.530   4.233  1.00  0.00           C  
ATOM    528  C   GLN A  34     -13.551  -3.249   5.076  1.00  0.00           C  
ATOM    529  O   GLN A  34     -13.648  -3.281   6.287  1.00  0.00           O  
ATOM    530  CB  GLN A  34     -12.455  -5.478   4.419  1.00  0.00           C  
ATOM    531  CG  GLN A  34     -11.136  -4.726   4.636  1.00  0.00           C  
ATOM    532  CD  GLN A  34     -11.120  -3.409   3.871  1.00  0.00           C  
ATOM    533  OE1 GLN A  34     -11.008  -2.369   4.473  1.00  0.00           O  
ATOM    534  NE2 GLN A  34     -11.224  -3.403   2.573  1.00  0.00           N  
ATOM    535  H   GLN A  34     -13.145  -4.496   2.153  1.00  0.00           H  
ATOM    536  HA  GLN A  34     -14.553  -5.053   4.530  1.00  0.00           H  
ATOM    537  HB2 GLN A  34     -12.640  -6.111   5.274  1.00  0.00           H  
ATOM    538  HB3 GLN A  34     -12.364  -6.099   3.540  1.00  0.00           H  
ATOM    539  HG2 GLN A  34     -11.012  -4.526   5.688  1.00  0.00           H  
ATOM    540  HG3 GLN A  34     -10.321  -5.343   4.292  1.00  0.00           H  
ATOM    541 HE21 GLN A  34     -11.312  -4.247   2.081  1.00  0.00           H  
ATOM    542 HE22 GLN A  34     -11.217  -2.551   2.085  1.00  0.00           H  
ATOM    543  N   ARG A  35     -13.377  -2.116   4.435  1.00  0.00           N  
ATOM    544  CA  ARG A  35     -13.292  -0.830   5.181  1.00  0.00           C  
ATOM    545  C   ARG A  35     -12.144  -0.865   6.184  1.00  0.00           C  
ATOM    546  O   ARG A  35     -11.720  -1.911   6.632  1.00  0.00           O  
ATOM    547  CB  ARG A  35     -14.598  -0.593   5.938  1.00  0.00           C  
ATOM    548  CG  ARG A  35     -15.665  -0.048   4.992  1.00  0.00           C  
ATOM    549  CD  ARG A  35     -15.095   1.126   4.202  1.00  0.00           C  
ATOM    550  NE  ARG A  35     -14.696   0.638   2.856  1.00  0.00           N  
ATOM    551  CZ  ARG A  35     -15.146   1.231   1.782  1.00  0.00           C  
ATOM    552  NH1 ARG A  35     -16.347   0.969   1.347  1.00  0.00           N  
ATOM    553  NH2 ARG A  35     -14.394   2.081   1.139  1.00  0.00           N  
ATOM    554  H   ARG A  35     -13.313  -2.108   3.457  1.00  0.00           H  
ATOM    555  HA  ARG A  35     -13.129  -0.024   4.484  1.00  0.00           H  
ATOM    556  HB2 ARG A  35     -14.938  -1.525   6.360  1.00  0.00           H  
ATOM    557  HB3 ARG A  35     -14.426   0.121   6.728  1.00  0.00           H  
ATOM    558  HG2 ARG A  35     -15.969  -0.829   4.308  1.00  0.00           H  
ATOM    559  HG3 ARG A  35     -16.518   0.283   5.563  1.00  0.00           H  
ATOM    560  HD2 ARG A  35     -15.843   1.898   4.107  1.00  0.00           H  
ATOM    561  HD3 ARG A  35     -14.229   1.520   4.716  1.00  0.00           H  
ATOM    562  HE  ARG A  35     -14.106  -0.142   2.778  1.00  0.00           H  
ATOM    563 HH11 ARG A  35     -16.924   0.317   1.836  1.00  0.00           H  
ATOM    564 HH12 ARG A  35     -16.690   1.420   0.522  1.00  0.00           H  
ATOM    565 HH21 ARG A  35     -13.472   2.278   1.466  1.00  0.00           H  
ATOM    566 HH22 ARG A  35     -14.741   2.535   0.318  1.00  0.00           H  
ATOM    567  N   TYR A  36     -11.651   0.284   6.547  1.00  0.00           N  
ATOM    568  CA  TYR A  36     -10.546   0.349   7.527  1.00  0.00           C  
ATOM    569  C   TYR A  36     -10.951  -0.417   8.779  1.00  0.00           C  
ATOM    570  O   TYR A  36     -10.412  -1.463   9.076  1.00  0.00           O  
ATOM    571  CB  TYR A  36     -10.299   1.809   7.892  1.00  0.00           C  
ATOM    572  CG  TYR A  36      -8.814   2.055   8.023  1.00  0.00           C  
ATOM    573  CD1 TYR A  36      -7.938   1.606   7.028  1.00  0.00           C  
ATOM    574  CD2 TYR A  36      -8.314   2.729   9.144  1.00  0.00           C  
ATOM    575  CE1 TYR A  36      -6.561   1.831   7.153  1.00  0.00           C  
ATOM    576  CE2 TYR A  36      -6.937   2.954   9.269  1.00  0.00           C  
ATOM    577  CZ  TYR A  36      -6.060   2.505   8.273  1.00  0.00           C  
ATOM    578  OH  TYR A  36      -4.703   2.725   8.395  1.00  0.00           O  
ATOM    579  H   TYR A  36     -12.019   1.109   6.180  1.00  0.00           H  
ATOM    580  HA  TYR A  36      -9.655  -0.078   7.101  1.00  0.00           H  
ATOM    581  HB2 TYR A  36     -10.709   2.441   7.120  1.00  0.00           H  
ATOM    582  HB3 TYR A  36     -10.787   2.031   8.829  1.00  0.00           H  
ATOM    583  HD1 TYR A  36      -8.323   1.086   6.163  1.00  0.00           H  
ATOM    584  HD2 TYR A  36      -8.990   3.076   9.912  1.00  0.00           H  
ATOM    585  HE1 TYR A  36      -5.885   1.485   6.385  1.00  0.00           H  
ATOM    586  HE2 TYR A  36      -6.551   3.473  10.134  1.00  0.00           H  
ATOM    587  HH  TYR A  36      -4.540   3.660   8.250  1.00  0.00           H  
HETATM  588  N   NH2 A  37     -11.902   0.068   9.524  1.00  0.00           N  
HETATM  589  HN1 NH2 A  37     -12.331   0.915   9.275  1.00  0.00           H  
HETATM  590  HN2 NH2 A  37     -12.189  -0.411  10.325  1.00  0.00           H  
TER     591      NH2 A  37                                                      
CONECT  569  588                                                                
CONECT  588  569  589  590                                                      
CONECT  589  588                                                                
CONECT  590  588                                                                
MASTER      135    0    1    2    0    0    1    6  301    1    4    3          
END