HEADER    TRANSFERASE                             06-OCT-97   1AWX              
TITLE     SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, MINIMIZED AVERAGE      
TITLE    2 STRUCTURE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BRUTON'S TYROSINE KINASE;                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SH3 DOMAIN;                                                
COMPND   5 SYNONYM: ATK, AGMX1, BPK;                                            
COMPND   6 EC: 2.7.1.112;                                                       
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 TISSUE: BLOOD;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-3                                 
KEYWDS    TYROSINE KINASE, X-LINKED AGAMMAGLOBULINEMIA, XLA, BTK, SH3 DOMAIN,   
KEYWDS   2 TRANSFERASE                                                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    H.HANSSON,P.T.MATTSSON,P.ALLARD,P.HAAPANIEMI,M.VIHINEN,C.I.E.SMITH,   
AUTHOR   2 T.HARD                                                               
REVDAT   4   16-FEB-22 1AWX    1       REMARK                                   
REVDAT   3   24-FEB-09 1AWX    1       VERSN                                    
REVDAT   2   01-APR-03 1AWX    1       JRNL                                     
REVDAT   1   08-APR-98 1AWX    0                                                
JRNL        AUTH   H.HANSSON,P.T.MATTSSON,P.ALLARD,P.HAAPANIEMI,M.VIHINEN,      
JRNL        AUTH 2 C.I.SMITH,T.HARD                                             
JRNL        TITL   SOLUTION STRUCTURE OF THE SH3 DOMAIN FROM BRUTON'S TYROSINE  
JRNL        TITL 2 KINASE.                                                      
JRNL        REF    BIOCHEMISTRY                  V.  37  2912 1998              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   9485443                                                      
JRNL        DOI    10.1021/BI972409F                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE WAS DETERMINED USING 756    
REMARK   3  DISTANCE RESTRAINTS, 52 DIHEDRAL ANGLE RESTRAINTS AND 22            
REMARK   3  HYDROGEN BOND RESTRAINTS. THE HYDROGEN BOND RESTRAINTS WERE USED    
REMARK   3  ONLY IN THE LAST STEP OF REFINEMENT. 50 STRUCTURES WERE             
REMARK   3  CALCULATED AND REFINED USING AB INITIO SIMULATED ANNEALING          
REMARK   3  PROTOCOL FOR X-PLOR (1). ALL FORCE CONSTANTS AND POTENTIALS WERE    
REMARK   3  SET TO THE DEFAULT (PROTOCOL) VALUES EXCEPT FOR THE VAN DER         
REMARK   3  WAALS' RADII SCALE FACTOR ("REPEL"), WHICH WAS DECREASED TO 0.80    
REMARK   3  INSTEAD OF 0.75 DURING THE FINAL COOLING STAGES IN THE              
REMARK   3  REFINEMENT. THIS RESULTS IN MORE REASONABLE BACKBONE                
REMARK   3  CONFORMATION AND SOMEWHAT HIGHER X-PLOR TOTAL ENERGIES. CENTER      
REMARK   3  AVERAGING PSEUDOATOM CORRECTION WAS USED FOR ALL DISTANCE           
REMARK   3  RESTRAINT S(2). ON THE BASIS OF X-PLOR TOTAL ENERGY 42 LOWEST       
REMARK   3  ENERGY STRUCTURES WERE SELECTED. THE AVERAGE AND MINIMIZED          
REMARK   3  STRUCTURE WAS CALCULATED BY AVERAGING SUPERIMPOSED STRUCTURES IN    
REMARK   3  THE ENSEMBLE AND THEN ENERGY MINIMIZING THE AVERAGE STRUCTURE.      
REMARK   3  THE POTENTIALS AND CONSTANTS USED IN THE ENERGY MINIMIZATION        
REMARK   3  WERE THE SAME FOR THE AVERAGE STRUCTURE AND THE ENSEMBLE            
REMARK   3  STRUCTURES.                                                         
REMARK   4                                                                      
REMARK   4 1AWX 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_1000171356.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; TOCSY; DQF-COSY; 15N        
REMARK 210                                   -TOCSY-HSQC; 15N-NOESY-HSQC;       
REMARK 210                                   HNHA; HNHB                         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITY 500                          
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR 4.3 AND 5.2, ANSIG V.3.2      
REMARK 210                                   V.3.2, X-PLOR V.3.851 V.3.851      
REMARK 210   METHOD USED                   : AB INITIO - SIMULATED ANNEALING    
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : MINIMIZED AVERAGE STRUCTURE        
REMARK 210                                   BASED ON 42 LOWEST ENERGY          
REMARK 210                                   STRUCTURES                         
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: 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    MET A   3       91.10     52.82                                   
REMARK 500    SER A   6      -72.51    -59.56                                   
REMARK 500    LEU A   8      115.68   -161.33                                   
REMARK 500    LEU A  14      -70.95    -91.67                                   
REMARK 500    TYR A  17       93.15   -167.56                                   
REMARK 500    ASN A  21      -55.19   -125.35                                   
REMARK 500    ALA A  22      -40.23   -170.66                                   
REMARK 500    LEU A  27     -168.97    -79.77                                   
REMARK 500    ARG A  28     -158.33   -169.99                                   
REMARK 500    GLU A  37     -162.28   -123.81                                   
REMARK 500    GLU A  38       43.49    177.99                                   
REMARK 500    SER A  39     -171.18    -54.13                                   
REMARK 500    TRP A  44     -161.66   -110.22                                   
REMARK 500    ASP A  48     -152.70    -98.80                                   
REMARK 500    LYS A  49       36.48    -95.93                                   
REMARK 500    THR A  62     -133.42   -145.06                                   
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  28         0.30    SIDE CHAIN                              
REMARK 500    ARG A  45         0.28    SIDE CHAIN                              
REMARK 500    ARG A  47         0.22    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1AWW   RELATED DB: PDB                                   
DBREF  1AWX A    4    67  UNP    Q06187   BTK_HUMAN      212    275             
SEQRES   1 A   67  GLY SER MET SER THR SER GLU LEU LYS LYS VAL VAL ALA          
SEQRES   2 A   67  LEU TYR ASP TYR MET PRO MET ASN ALA ASN ASP LEU GLN          
SEQRES   3 A   67  LEU ARG LYS GLY ASP GLU TYR PHE ILE LEU GLU GLU SER          
SEQRES   4 A   67  ASN LEU PRO TRP TRP ARG ALA ARG ASP LYS ASN GLY GLN          
SEQRES   5 A   67  GLU GLY TYR ILE PRO SER ASN TYR VAL THR GLU ALA GLU          
SEQRES   6 A   67  ASP SER                                                      
SHEET    1   A 2 LYS A  10  VAL A  12  0                                        
SHEET    2   A 2 GLU A  32  PHE A  34 -1  N  TYR A  33   O  VAL A  11           
SHEET    1   B 2 TRP A  43  ARG A  47  0                                        
SHEET    2   B 2 GLU A  53  PRO A  57 -1  N  ILE A  56   O  TRP A  44           
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   GLY A   1      51.871  20.439   6.834  1.00 13.48           N  
ATOM      2  CA  GLY A   1      50.808  21.458   7.066  1.00 13.10           C  
ATOM      3  C   GLY A   1      49.534  21.047   6.327  1.00 12.35           C  
ATOM      4  O   GLY A   1      48.672  20.389   6.879  1.00 12.21           O  
ATOM      5  H1  GLY A   1      51.540  19.511   7.164  1.00 13.64           H  
ATOM      6  H2  GLY A   1      52.088  20.391   5.817  1.00 13.66           H  
ATOM      7  H3  GLY A   1      52.727  20.705   7.360  1.00 13.56           H  
ATOM      8  HA2 GLY A   1      50.605  21.530   8.125  1.00 13.36           H  
ATOM      9  HA3 GLY A   1      51.141  22.417   6.697  1.00 13.28           H  
ATOM     10  N   SER A   2      49.410  21.432   5.082  1.00 12.05           N  
ATOM     11  CA  SER A   2      48.193  21.069   4.297  1.00 11.52           C  
ATOM     12  C   SER A   2      48.593  20.369   2.995  1.00 10.79           C  
ATOM     13  O   SER A   2      49.761  20.225   2.691  1.00 10.92           O  
ATOM     14  CB  SER A   2      47.502  22.399   4.001  1.00 11.92           C  
ATOM     15  OG  SER A   2      48.402  23.250   3.302  1.00 12.07           O  
ATOM     16  H   SER A   2      50.120  21.962   4.663  1.00 12.31           H  
ATOM     17  HA  SER A   2      47.542  20.437   4.881  1.00 11.63           H  
ATOM     18  HB2 SER A   2      46.631  22.227   3.390  1.00 12.21           H  
ATOM     19  HB3 SER A   2      47.201  22.862   4.931  1.00 12.03           H  
ATOM     20  HG  SER A   2      48.203  23.186   2.365  1.00 12.25           H  
ATOM     21  N   MET A   3      47.626  19.932   2.222  1.00 10.23           N  
ATOM     22  CA  MET A   3      47.929  19.236   0.927  1.00  9.72           C  
ATOM     23  C   MET A   3      48.907  18.074   1.148  1.00  8.89           C  
ATOM     24  O   MET A   3      50.110  18.247   1.099  1.00  8.88           O  
ATOM     25  CB  MET A   3      48.559  20.303   0.025  1.00 10.07           C  
ATOM     26  CG  MET A   3      47.473  20.946  -0.840  1.00 10.47           C  
ATOM     27  SD  MET A   3      48.242  21.790  -2.245  1.00 11.12           S  
ATOM     28  CE  MET A   3      48.936  23.184  -1.322  1.00 11.62           C  
ATOM     29  H   MET A   3      46.693  20.063   2.493  1.00 10.30           H  
ATOM     30  HA  MET A   3      47.018  18.873   0.478  1.00  9.99           H  
ATOM     31  HB2 MET A   3      49.028  21.060   0.637  1.00 10.32           H  
ATOM     32  HB3 MET A   3      49.300  19.845  -0.612  1.00 10.06           H  
ATOM     33  HG2 MET A   3      46.802  20.182  -1.203  1.00 10.51           H  
ATOM     34  HG3 MET A   3      46.919  21.661  -0.250  1.00 10.57           H  
ATOM     35  HE1 MET A   3      48.617  23.126  -0.291  1.00 11.88           H  
ATOM     36  HE2 MET A   3      50.016  23.146  -1.373  1.00 11.67           H  
ATOM     37  HE3 MET A   3      48.591  24.110  -1.752  1.00 11.83           H  
ATOM     38  N   SER A   4      48.393  16.895   1.390  1.00  8.42           N  
ATOM     39  CA  SER A   4      49.284  15.713   1.615  1.00  7.84           C  
ATOM     40  C   SER A   4      50.081  15.393   0.344  1.00  6.86           C  
ATOM     41  O   SER A   4      51.135  14.789   0.403  1.00  6.66           O  
ATOM     42  CB  SER A   4      48.344  14.558   1.959  1.00  8.49           C  
ATOM     43  OG  SER A   4      49.100  13.361   2.088  1.00  8.82           O  
ATOM     44  H   SER A   4      47.418  16.787   1.422  1.00  8.64           H  
ATOM     45  HA  SER A   4      49.953  15.900   2.440  1.00  7.96           H  
ATOM     46  HB2 SER A   4      47.843  14.763   2.890  1.00  8.78           H  
ATOM     47  HB3 SER A   4      47.607  14.448   1.174  1.00  8.71           H  
ATOM     48  HG  SER A   4      49.658  13.445   2.865  1.00  9.08           H  
ATOM     49  N   THR A   5      49.584  15.792  -0.802  1.00  6.49           N  
ATOM     50  CA  THR A   5      50.309  15.511  -2.083  1.00  5.68           C  
ATOM     51  C   THR A   5      51.731  16.085  -2.038  1.00  5.30           C  
ATOM     52  O   THR A   5      52.615  15.624  -2.736  1.00  5.57           O  
ATOM     53  CB  THR A   5      49.488  16.206  -3.171  1.00  6.01           C  
ATOM     54  OG1 THR A   5      49.144  17.515  -2.738  1.00  6.69           O  
ATOM     55  CG2 THR A   5      48.213  15.405  -3.440  1.00  6.20           C  
ATOM     56  H   THR A   5      48.731  16.275  -0.821  1.00  6.92           H  
ATOM     57  HA  THR A   5      50.340  14.449  -2.270  1.00  5.49           H  
ATOM     58  HB  THR A   5      50.068  16.267  -4.078  1.00  6.00           H  
ATOM     59  HG1 THR A   5      49.182  18.099  -3.499  1.00  6.92           H  
ATOM     60 HG21 THR A   5      48.418  14.351  -3.320  1.00  6.25           H  
ATOM     61 HG22 THR A   5      47.446  15.704  -2.741  1.00  6.46           H  
ATOM     62 HG23 THR A   5      47.875  15.594  -4.448  1.00  6.40           H  
ATOM     63  N   SER A   6      51.956  17.086  -1.222  1.00  5.03           N  
ATOM     64  CA  SER A   6      53.323  17.693  -1.130  1.00  5.02           C  
ATOM     65  C   SER A   6      54.343  16.638  -0.697  1.00  4.42           C  
ATOM     66  O   SER A   6      55.156  16.187  -1.483  1.00  4.45           O  
ATOM     67  CB  SER A   6      53.206  18.792  -0.073  1.00  5.65           C  
ATOM     68  OG  SER A   6      54.507  19.171   0.357  1.00  6.16           O  
ATOM     69  H   SER A   6      51.227  17.439  -0.671  1.00  5.12           H  
ATOM     70  HA  SER A   6      53.607  18.122  -2.075  1.00  5.34           H  
ATOM     71  HB2 SER A   6      52.708  19.649  -0.495  1.00  5.84           H  
ATOM     72  HB3 SER A   6      52.631  18.423   0.767  1.00  5.88           H  
ATOM     73  HG  SER A   6      54.866  19.783  -0.289  1.00  6.50           H  
ATOM     74  N   GLU A   7      54.302  16.243   0.548  1.00  4.29           N  
ATOM     75  CA  GLU A   7      55.263  15.216   1.048  1.00  4.05           C  
ATOM     76  C   GLU A   7      54.623  13.824   0.995  1.00  3.38           C  
ATOM     77  O   GLU A   7      54.349  13.217   2.014  1.00  3.67           O  
ATOM     78  CB  GLU A   7      55.559  15.622   2.493  1.00  4.89           C  
ATOM     79  CG  GLU A   7      56.757  16.573   2.520  1.00  5.57           C  
ATOM     80  CD  GLU A   7      58.052  15.767   2.396  1.00  6.36           C  
ATOM     81  OE1 GLU A   7      58.136  14.720   3.016  1.00  6.76           O  
ATOM     82  OE2 GLU A   7      58.936  16.210   1.682  1.00  6.84           O  
ATOM     83  H   GLU A   7      53.636  16.625   1.154  1.00  4.66           H  
ATOM     84  HA  GLU A   7      56.172  15.235   0.466  1.00  4.12           H  
ATOM     85  HB2 GLU A   7      54.695  16.118   2.911  1.00  5.16           H  
ATOM     86  HB3 GLU A   7      55.787  14.742   3.075  1.00  5.00           H  
ATOM     87  HG2 GLU A   7      56.684  17.268   1.696  1.00  5.69           H  
ATOM     88  HG3 GLU A   7      56.763  17.118   3.452  1.00  5.67           H  
ATOM     89  N   LEU A   8      54.384  13.319  -0.189  1.00  2.78           N  
ATOM     90  CA  LEU A   8      53.761  11.968  -0.323  1.00  2.27           C  
ATOM     91  C   LEU A   8      54.004  11.412  -1.729  1.00  1.63           C  
ATOM     92  O   LEU A   8      53.531  11.957  -2.709  1.00  2.08           O  
ATOM     93  CB  LEU A   8      52.268  12.196  -0.085  1.00  2.73           C  
ATOM     94  CG  LEU A   8      51.551  10.847  -0.005  1.00  2.98           C  
ATOM     95  CD1 LEU A   8      51.472  10.397   1.455  1.00  3.60           C  
ATOM     96  CD2 LEU A   8      50.137  10.988  -0.572  1.00  3.37           C  
ATOM     97  H   LEU A   8      54.615  13.831  -0.992  1.00  2.93           H  
ATOM     98  HA  LEU A   8      54.155  11.296   0.423  1.00  2.53           H  
ATOM     99  HB2 LEU A   8      52.129  12.734   0.842  1.00  3.35           H  
ATOM    100  HB3 LEU A   8      51.857  12.772  -0.901  1.00  2.84           H  
ATOM    101  HG  LEU A   8      52.100  10.114  -0.578  1.00  3.17           H  
ATOM    102 HD11 LEU A   8      52.388  10.659   1.963  1.00  3.99           H  
ATOM    103 HD12 LEU A   8      50.639  10.887   1.938  1.00  3.92           H  
ATOM    104 HD13 LEU A   8      51.331   9.327   1.495  1.00  3.90           H  
ATOM    105 HD21 LEU A   8      49.793  12.003  -0.436  1.00  3.61           H  
ATOM    106 HD22 LEU A   8      50.145  10.749  -1.625  1.00  3.65           H  
ATOM    107 HD23 LEU A   8      49.473  10.311  -0.054  1.00  3.78           H  
ATOM    108  N   LYS A   9      54.736  10.333  -1.831  1.00  1.09           N  
ATOM    109  CA  LYS A   9      55.015   9.733  -3.170  1.00  1.16           C  
ATOM    110  C   LYS A   9      54.735   8.228  -3.144  1.00  0.92           C  
ATOM    111  O   LYS A   9      54.121   7.720  -2.224  1.00  1.51           O  
ATOM    112  CB  LYS A   9      56.501   9.999  -3.422  1.00  2.03           C  
ATOM    113  CG  LYS A   9      56.659  11.210  -4.345  1.00  2.68           C  
ATOM    114  CD  LYS A   9      57.959  11.943  -4.009  1.00  3.55           C  
ATOM    115  CE  LYS A   9      58.283  12.946  -5.118  1.00  4.36           C  
ATOM    116  NZ  LYS A   9      58.869  14.121  -4.415  1.00  5.10           N  
ATOM    117  H   LYS A   9      55.104   9.915  -1.024  1.00  1.30           H  
ATOM    118  HA  LYS A   9      54.419  10.214  -3.930  1.00  1.62           H  
ATOM    119  HB2 LYS A   9      56.995  10.195  -2.482  1.00  2.47           H  
ATOM    120  HB3 LYS A   9      56.947   9.133  -3.889  1.00  2.44           H  
ATOM    121  HG2 LYS A   9      56.687  10.878  -5.373  1.00  2.89           H  
ATOM    122  HG3 LYS A   9      55.824  11.880  -4.206  1.00  2.96           H  
ATOM    123  HD2 LYS A   9      57.844  12.467  -3.071  1.00  3.77           H  
ATOM    124  HD3 LYS A   9      58.764  11.228  -3.926  1.00  3.86           H  
ATOM    125  HE2 LYS A   9      59.000  12.522  -5.809  1.00  4.62           H  
ATOM    126  HE3 LYS A   9      57.384  13.236  -5.638  1.00  4.58           H  
ATOM    127  HZ1 LYS A   9      59.685  13.815  -3.848  1.00  5.47           H  
ATOM    128  HZ2 LYS A   9      59.180  14.824  -5.114  1.00  5.43           H  
ATOM    129  HZ3 LYS A   9      58.151  14.544  -3.792  1.00  5.28           H  
ATOM    130  N   LYS A  10      55.181   7.515  -4.147  1.00  0.64           N  
ATOM    131  CA  LYS A  10      54.944   6.041  -4.191  1.00  0.50           C  
ATOM    132  C   LYS A  10      56.197   5.288  -3.732  1.00  0.47           C  
ATOM    133  O   LYS A  10      57.160   5.883  -3.288  1.00  0.70           O  
ATOM    134  CB  LYS A  10      54.636   5.734  -5.657  1.00  0.69           C  
ATOM    135  CG  LYS A  10      53.187   6.120  -5.969  1.00  1.23           C  
ATOM    136  CD  LYS A  10      53.150   7.526  -6.572  1.00  1.48           C  
ATOM    137  CE  LYS A  10      53.552   7.460  -8.047  1.00  1.67           C  
ATOM    138  NZ  LYS A  10      53.096   8.754  -8.628  1.00  2.12           N  
ATOM    139  H   LYS A  10      55.671   7.952  -4.875  1.00  1.11           H  
ATOM    140  HA  LYS A  10      54.099   5.777  -3.574  1.00  0.78           H  
ATOM    141  HB2 LYS A  10      55.304   6.301  -6.290  1.00  1.30           H  
ATOM    142  HB3 LYS A  10      54.773   4.680  -5.841  1.00  1.45           H  
ATOM    143  HG2 LYS A  10      52.771   5.414  -6.674  1.00  1.97           H  
ATOM    144  HG3 LYS A  10      52.606   6.105  -5.059  1.00  1.76           H  
ATOM    145  HD2 LYS A  10      52.150   7.927  -6.487  1.00  1.80           H  
ATOM    146  HD3 LYS A  10      53.841   8.164  -6.041  1.00  2.21           H  
ATOM    147  HE2 LYS A  10      54.625   7.361  -8.139  1.00  2.22           H  
ATOM    148  HE3 LYS A  10      53.053   6.639  -8.537  1.00  2.00           H  
ATOM    149  HZ1 LYS A  10      52.102   8.918  -8.371  1.00  2.49           H  
ATOM    150  HZ2 LYS A  10      53.684   9.527  -8.256  1.00  2.45           H  
ATOM    151  HZ3 LYS A  10      53.182   8.719  -9.663  1.00  2.53           H  
ATOM    152  N   VAL A  11      56.189   3.983  -3.840  1.00  0.27           N  
ATOM    153  CA  VAL A  11      57.378   3.177  -3.413  1.00  0.24           C  
ATOM    154  C   VAL A  11      57.428   1.863  -4.192  1.00  0.20           C  
ATOM    155  O   VAL A  11      56.432   1.402  -4.708  1.00  0.19           O  
ATOM    156  CB  VAL A  11      57.202   2.899  -1.914  1.00  0.28           C  
ATOM    157  CG1 VAL A  11      57.395   4.196  -1.128  1.00  0.36           C  
ATOM    158  CG2 VAL A  11      55.807   2.327  -1.637  1.00  0.31           C  
ATOM    159  H   VAL A  11      55.402   3.530  -4.205  1.00  0.31           H  
ATOM    160  HA  VAL A  11      58.284   3.739  -3.575  1.00  0.26           H  
ATOM    161  HB  VAL A  11      57.950   2.184  -1.600  1.00  0.30           H  
ATOM    162 HG11 VAL A  11      58.316   4.670  -1.436  1.00  1.08           H  
ATOM    163 HG12 VAL A  11      56.569   4.860  -1.320  1.00  1.09           H  
ATOM    164 HG13 VAL A  11      57.441   3.974  -0.073  1.00  1.06           H  
ATOM    165 HG21 VAL A  11      55.579   1.568  -2.371  1.00  1.03           H  
ATOM    166 HG22 VAL A  11      55.787   1.891  -0.650  1.00  1.10           H  
ATOM    167 HG23 VAL A  11      55.076   3.119  -1.697  1.00  1.05           H  
ATOM    168  N   VAL A  12      58.584   1.262  -4.274  1.00  0.21           N  
ATOM    169  CA  VAL A  12      58.723  -0.024  -5.019  1.00  0.19           C  
ATOM    170  C   VAL A  12      58.641  -1.195  -4.015  1.00  0.17           C  
ATOM    171  O   VAL A  12      58.502  -0.989  -2.826  1.00  0.18           O  
ATOM    172  CB  VAL A  12      60.113   0.112  -5.713  1.00  0.23           C  
ATOM    173  CG1 VAL A  12      60.988  -1.148  -5.596  1.00  0.24           C  
ATOM    174  CG2 VAL A  12      59.905   0.414  -7.195  1.00  0.27           C  
ATOM    175  H   VAL A  12      59.371   1.657  -3.842  1.00  0.24           H  
ATOM    176  HA  VAL A  12      57.941  -0.103  -5.767  1.00  0.20           H  
ATOM    177  HB  VAL A  12      60.638   0.934  -5.267  1.00  0.26           H  
ATOM    178 HG11 VAL A  12      61.035  -1.461  -4.564  1.00  1.03           H  
ATOM    179 HG12 VAL A  12      60.564  -1.938  -6.196  1.00  1.07           H  
ATOM    180 HG13 VAL A  12      61.983  -0.924  -5.948  1.00  1.01           H  
ATOM    181 HG21 VAL A  12      59.141   1.167  -7.302  1.00  1.06           H  
ATOM    182 HG22 VAL A  12      60.829   0.775  -7.620  1.00  1.01           H  
ATOM    183 HG23 VAL A  12      59.602  -0.488  -7.706  1.00  1.03           H  
ATOM    184  N   ALA A  13      58.736  -2.411  -4.489  1.00  0.18           N  
ATOM    185  CA  ALA A  13      58.679  -3.592  -3.577  1.00  0.19           C  
ATOM    186  C   ALA A  13      59.935  -4.448  -3.758  1.00  0.20           C  
ATOM    187  O   ALA A  13      60.336  -4.744  -4.869  1.00  0.28           O  
ATOM    188  CB  ALA A  13      57.439  -4.372  -4.011  1.00  0.23           C  
ATOM    189  H   ALA A  13      58.851  -2.548  -5.451  1.00  0.20           H  
ATOM    190  HA  ALA A  13      58.579  -3.275  -2.552  1.00  0.20           H  
ATOM    191  HB1 ALA A  13      56.674  -3.684  -4.334  1.00  1.06           H  
ATOM    192  HB2 ALA A  13      57.696  -5.033  -4.826  1.00  1.02           H  
ATOM    193  HB3 ALA A  13      57.072  -4.954  -3.178  1.00  1.05           H  
ATOM    194  N   LEU A  14      60.559  -4.846  -2.678  1.00  0.20           N  
ATOM    195  CA  LEU A  14      61.792  -5.682  -2.787  1.00  0.24           C  
ATOM    196  C   LEU A  14      61.433  -7.168  -2.758  1.00  0.33           C  
ATOM    197  O   LEU A  14      61.532  -7.856  -3.756  1.00  0.69           O  
ATOM    198  CB  LEU A  14      62.637  -5.304  -1.571  1.00  0.39           C  
ATOM    199  CG  LEU A  14      63.085  -3.847  -1.699  1.00  0.46           C  
ATOM    200  CD1 LEU A  14      63.514  -3.316  -0.329  1.00  0.66           C  
ATOM    201  CD2 LEU A  14      64.263  -3.762  -2.674  1.00  0.65           C  
ATOM    202  H   LEU A  14      60.216  -4.592  -1.796  1.00  0.21           H  
ATOM    203  HA  LEU A  14      62.326  -5.445  -3.690  1.00  0.26           H  
ATOM    204  HB2 LEU A  14      62.051  -5.425  -0.672  1.00  0.44           H  
ATOM    205  HB3 LEU A  14      63.506  -5.943  -1.523  1.00  0.53           H  
ATOM    206  HG  LEU A  14      62.264  -3.252  -2.073  1.00  0.41           H  
ATOM    207 HD11 LEU A  14      63.774  -4.143   0.315  1.00  1.25           H  
ATOM    208 HD12 LEU A  14      64.370  -2.666  -0.444  1.00  1.29           H  
ATOM    209 HD13 LEU A  14      62.699  -2.760   0.110  1.00  1.18           H  
ATOM    210 HD21 LEU A  14      65.019  -4.479  -2.389  1.00  1.28           H  
ATOM    211 HD22 LEU A  14      63.919  -3.979  -3.674  1.00  1.13           H  
ATOM    212 HD23 LEU A  14      64.683  -2.767  -2.645  1.00  1.28           H  
ATOM    213  N   TYR A  15      61.021  -7.664  -1.623  1.00  0.28           N  
ATOM    214  CA  TYR A  15      60.655  -9.110  -1.521  1.00  0.41           C  
ATOM    215  C   TYR A  15      59.134  -9.274  -1.529  1.00  0.42           C  
ATOM    216  O   TYR A  15      58.395  -8.310  -1.467  1.00  0.73           O  
ATOM    217  CB  TYR A  15      61.234  -9.581  -0.187  1.00  0.54           C  
ATOM    218  CG  TYR A  15      62.736  -9.417  -0.197  1.00  0.58           C  
ATOM    219  CD1 TYR A  15      63.527 -10.266  -0.980  1.00  1.42           C  
ATOM    220  CD2 TYR A  15      63.336  -8.417   0.578  1.00  1.30           C  
ATOM    221  CE1 TYR A  15      64.919 -10.114  -0.989  1.00  1.46           C  
ATOM    222  CE2 TYR A  15      64.728  -8.266   0.569  1.00  1.34           C  
ATOM    223  CZ  TYR A  15      65.520  -9.114  -0.214  1.00  0.76           C  
ATOM    224  OH  TYR A  15      66.891  -8.965  -0.223  1.00  0.87           O  
ATOM    225  H   TYR A  15      60.954  -7.085  -0.837  1.00  0.47           H  
ATOM    226  HA  TYR A  15      61.098  -9.667  -2.331  1.00  0.50           H  
ATOM    227  HB2 TYR A  15      60.812  -8.995   0.613  1.00  0.57           H  
ATOM    228  HB3 TYR A  15      60.988 -10.622  -0.037  1.00  0.68           H  
ATOM    229  HD1 TYR A  15      63.064 -11.037  -1.577  1.00  2.29           H  
ATOM    230  HD2 TYR A  15      62.726  -7.763   1.182  1.00  2.16           H  
ATOM    231  HE1 TYR A  15      65.530 -10.769  -1.593  1.00  2.33           H  
ATOM    232  HE2 TYR A  15      65.191  -7.494   1.166  1.00  2.21           H  
ATOM    233  HH  TYR A  15      67.132  -8.477  -1.014  1.00  1.25           H  
ATOM    234  N   ASP A  16      58.667 -10.492  -1.609  1.00  0.49           N  
ATOM    235  CA  ASP A  16      57.193 -10.740  -1.626  1.00  0.46           C  
ATOM    236  C   ASP A  16      56.615 -10.659  -0.209  1.00  0.45           C  
ATOM    237  O   ASP A  16      57.316 -10.834   0.769  1.00  0.56           O  
ATOM    238  CB  ASP A  16      57.033 -12.152  -2.191  1.00  0.53           C  
ATOM    239  CG  ASP A  16      57.024 -12.092  -3.719  1.00  0.56           C  
ATOM    240  OD1 ASP A  16      57.901 -11.448  -4.272  1.00  1.23           O  
ATOM    241  OD2 ASP A  16      56.141 -12.691  -4.311  1.00  1.19           O  
ATOM    242  H   ASP A  16      59.290 -11.246  -1.662  1.00  0.77           H  
ATOM    243  HA  ASP A  16      56.703 -10.030  -2.270  1.00  0.44           H  
ATOM    244  HB2 ASP A  16      57.856 -12.768  -1.858  1.00  0.59           H  
ATOM    245  HB3 ASP A  16      56.102 -12.576  -1.844  1.00  0.57           H  
ATOM    246  N   TYR A  17      55.337 -10.391  -0.099  1.00  0.37           N  
ATOM    247  CA  TYR A  17      54.693 -10.292   1.244  1.00  0.38           C  
ATOM    248  C   TYR A  17      53.165 -10.283   1.073  1.00  0.34           C  
ATOM    249  O   TYR A  17      52.560  -9.247   0.872  1.00  0.54           O  
ATOM    250  CB  TYR A  17      55.225  -8.965   1.828  1.00  0.43           C  
ATOM    251  CG  TYR A  17      54.375  -8.479   2.992  1.00  0.48           C  
ATOM    252  CD1 TYR A  17      53.907  -9.381   3.958  1.00  1.25           C  
ATOM    253  CD2 TYR A  17      54.057  -7.120   3.094  1.00  1.32           C  
ATOM    254  CE1 TYR A  17      53.122  -8.920   5.022  1.00  1.29           C  
ATOM    255  CE2 TYR A  17      53.273  -6.660   4.157  1.00  1.36           C  
ATOM    256  CZ  TYR A  17      52.805  -7.560   5.121  1.00  0.66           C  
ATOM    257  OH  TYR A  17      52.031  -7.106   6.170  1.00  0.77           O  
ATOM    258  H   TYR A  17      54.797 -10.253  -0.906  1.00  0.35           H  
ATOM    259  HA  TYR A  17      54.997 -11.119   1.868  1.00  0.43           H  
ATOM    260  HB2 TYR A  17      56.237  -9.113   2.172  1.00  0.49           H  
ATOM    261  HB3 TYR A  17      55.226  -8.215   1.052  1.00  0.44           H  
ATOM    262  HD1 TYR A  17      54.151 -10.430   3.882  1.00  2.11           H  
ATOM    263  HD2 TYR A  17      54.420  -6.426   2.351  1.00  2.18           H  
ATOM    264  HE1 TYR A  17      52.760  -9.613   5.767  1.00  2.15           H  
ATOM    265  HE2 TYR A  17      53.028  -5.610   4.233  1.00  2.23           H  
ATOM    266  HH  TYR A  17      52.542  -7.197   6.977  1.00  1.35           H  
ATOM    267  N   MET A  18      52.549 -11.435   1.148  1.00  0.29           N  
ATOM    268  CA  MET A  18      51.065 -11.512   0.988  1.00  0.28           C  
ATOM    269  C   MET A  18      50.358 -11.129   2.301  1.00  0.28           C  
ATOM    270  O   MET A  18      50.983 -11.106   3.342  1.00  0.33           O  
ATOM    271  CB  MET A  18      50.777 -12.970   0.630  1.00  0.34           C  
ATOM    272  CG  MET A  18      51.131 -13.215  -0.838  1.00  1.44           C  
ATOM    273  SD  MET A  18      50.210 -14.648  -1.450  1.00  1.92           S  
ATOM    274  CE  MET A  18      51.076 -15.905  -0.478  1.00  2.69           C  
ATOM    275  H   MET A  18      53.064 -12.253   1.308  1.00  0.43           H  
ATOM    276  HA  MET A  18      50.736 -10.864   0.188  1.00  0.31           H  
ATOM    277  HB2 MET A  18      51.372 -13.619   1.257  1.00  1.03           H  
ATOM    278  HB3 MET A  18      49.730 -13.180   0.785  1.00  1.01           H  
ATOM    279  HG2 MET A  18      50.870 -12.344  -1.421  1.00  2.06           H  
ATOM    280  HG3 MET A  18      52.191 -13.403  -0.927  1.00  2.10           H  
ATOM    281  HE1 MET A  18      52.141 -15.794  -0.610  1.00  3.04           H  
ATOM    282  HE2 MET A  18      50.831 -15.782   0.568  1.00  3.19           H  
ATOM    283  HE3 MET A  18      50.774 -16.888  -0.811  1.00  3.11           H  
ATOM    284  N   PRO A  19      49.072 -10.831   2.219  1.00  0.29           N  
ATOM    285  CA  PRO A  19      48.308 -10.442   3.430  1.00  0.33           C  
ATOM    286  C   PRO A  19      48.138 -11.639   4.371  1.00  0.36           C  
ATOM    287  O   PRO A  19      48.341 -12.776   3.987  1.00  0.47           O  
ATOM    288  CB  PRO A  19      46.957 -10.004   2.847  1.00  0.38           C  
ATOM    289  CG  PRO A  19      47.004 -10.167   1.316  1.00  0.41           C  
ATOM    290  CD  PRO A  19      48.313 -10.858   0.938  1.00  0.35           C  
ATOM    291  HA  PRO A  19      48.780  -9.616   3.935  1.00  0.38           H  
ATOM    292  HB2 PRO A  19      46.167 -10.620   3.255  1.00  0.39           H  
ATOM    293  HB3 PRO A  19      46.774  -8.969   3.093  1.00  0.44           H  
ATOM    294  HG2 PRO A  19      46.171 -10.767   0.986  1.00  0.46           H  
ATOM    295  HG3 PRO A  19      46.966  -9.196   0.845  1.00  0.48           H  
ATOM    296  HD2 PRO A  19      48.128 -11.875   0.617  1.00  0.39           H  
ATOM    297  HD3 PRO A  19      48.836 -10.302   0.180  1.00  0.40           H  
ATOM    298  N   MET A  20      47.759 -11.386   5.597  1.00  0.46           N  
ATOM    299  CA  MET A  20      47.562 -12.499   6.575  1.00  0.54           C  
ATOM    300  C   MET A  20      46.086 -12.579   6.964  1.00  0.61           C  
ATOM    301  O   MET A  20      45.485 -13.637   6.955  1.00  0.68           O  
ATOM    302  CB  MET A  20      48.412 -12.125   7.791  1.00  0.71           C  
ATOM    303  CG  MET A  20      49.877 -11.979   7.372  1.00  0.76           C  
ATOM    304  SD  MET A  20      50.954 -12.444   8.751  1.00  1.34           S  
ATOM    305  CE  MET A  20      52.274 -13.192   7.764  1.00  1.93           C  
ATOM    306  H   MET A  20      47.597 -10.461   5.875  1.00  0.57           H  
ATOM    307  HA  MET A  20      47.897 -13.435   6.158  1.00  0.56           H  
ATOM    308  HB2 MET A  20      48.060 -11.190   8.202  1.00  0.79           H  
ATOM    309  HB3 MET A  20      48.329 -12.900   8.539  1.00  0.80           H  
ATOM    310  HG2 MET A  20      50.073 -12.623   6.528  1.00  0.82           H  
ATOM    311  HG3 MET A  20      50.068 -10.953   7.094  1.00  0.95           H  
ATOM    312  HE1 MET A  20      51.990 -13.186   6.721  1.00  2.30           H  
ATOM    313  HE2 MET A  20      53.184 -12.628   7.891  1.00  2.36           H  
ATOM    314  HE3 MET A  20      52.435 -14.210   8.093  1.00  2.51           H  
ATOM    315  N   ASN A  21      45.503 -11.459   7.299  1.00  0.71           N  
ATOM    316  CA  ASN A  21      44.062 -11.440   7.688  1.00  0.89           C  
ATOM    317  C   ASN A  21      43.301 -10.433   6.825  1.00  0.93           C  
ATOM    318  O   ASN A  21      42.323 -10.765   6.181  1.00  1.52           O  
ATOM    319  CB  ASN A  21      44.052 -11.007   9.154  1.00  1.01           C  
ATOM    320  CG  ASN A  21      44.196 -12.238  10.051  1.00  1.43           C  
ATOM    321  OD1 ASN A  21      43.742 -13.311   9.707  1.00  1.96           O  
ATOM    322  ND2 ASN A  21      44.813 -12.128  11.196  1.00  2.01           N  
ATOM    323  H   ASN A  21      46.017 -10.624   7.291  1.00  0.72           H  
ATOM    324  HA  ASN A  21      43.632 -12.421   7.589  1.00  0.95           H  
ATOM    325  HB2 ASN A  21      44.876 -10.331   9.335  1.00  1.14           H  
ATOM    326  HB3 ASN A  21      43.121 -10.509   9.377  1.00  1.29           H  
ATOM    327 HD21 ASN A  21      45.180 -11.262  11.474  1.00  2.37           H  
ATOM    328 HD22 ASN A  21      44.910 -12.911  11.778  1.00  2.45           H  
ATOM    329  N   ALA A  22      43.749  -9.206   6.809  1.00  0.60           N  
ATOM    330  CA  ALA A  22      43.068  -8.156   5.989  1.00  0.63           C  
ATOM    331  C   ALA A  22      43.909  -6.878   5.956  1.00  0.67           C  
ATOM    332  O   ALA A  22      44.024  -6.225   4.937  1.00  1.26           O  
ATOM    333  CB  ALA A  22      41.734  -7.898   6.693  1.00  0.72           C  
ATOM    334  H   ALA A  22      44.540  -8.976   7.337  1.00  0.82           H  
ATOM    335  HA  ALA A  22      42.893  -8.516   4.990  1.00  0.60           H  
ATOM    336  HB1 ALA A  22      41.837  -8.109   7.747  1.00  1.28           H  
ATOM    337  HB2 ALA A  22      41.450  -6.865   6.559  1.00  1.33           H  
ATOM    338  HB3 ALA A  22      40.973  -8.538   6.270  1.00  1.17           H  
ATOM    339  N   ASN A  23      44.494  -6.521   7.069  1.00  0.52           N  
ATOM    340  CA  ASN A  23      45.333  -5.282   7.122  1.00  0.46           C  
ATOM    341  C   ASN A  23      46.492  -5.356   6.144  1.00  0.36           C  
ATOM    342  O   ASN A  23      46.653  -4.513   5.285  1.00  0.31           O  
ATOM    343  CB  ASN A  23      45.901  -5.229   8.533  1.00  0.52           C  
ATOM    344  CG  ASN A  23      44.976  -4.412   9.436  1.00  0.64           C  
ATOM    345  OD1 ASN A  23      44.591  -3.312   9.093  1.00  1.18           O  
ATOM    346  ND2 ASN A  23      44.602  -4.906  10.584  1.00  1.15           N  
ATOM    347  H   ASN A  23      44.379  -7.069   7.872  1.00  0.92           H  
ATOM    348  HA  ASN A  23      44.736  -4.413   6.941  1.00  0.50           H  
ATOM    349  HB2 ASN A  23      45.976  -6.232   8.913  1.00  0.56           H  
ATOM    350  HB3 ASN A  23      46.889  -4.776   8.503  1.00  0.49           H  
ATOM    351 HD21 ASN A  23      44.913  -5.793  10.860  1.00  1.77           H  
ATOM    352 HD22 ASN A  23      44.010  -4.390  11.170  1.00  1.20           H  
ATOM    353  N   ASP A  24      47.329  -6.341   6.316  1.00  0.38           N  
ATOM    354  CA  ASP A  24      48.538  -6.482   5.452  1.00  0.36           C  
ATOM    355  C   ASP A  24      48.202  -6.314   3.962  1.00  0.32           C  
ATOM    356  O   ASP A  24      47.194  -6.800   3.484  1.00  0.41           O  
ATOM    357  CB  ASP A  24      49.065  -7.892   5.724  1.00  0.50           C  
ATOM    358  CG  ASP A  24      49.588  -7.978   7.160  1.00  0.95           C  
ATOM    359  OD1 ASP A  24      49.021  -7.320   8.018  1.00  1.64           O  
ATOM    360  OD2 ASP A  24      50.546  -8.701   7.378  1.00  1.55           O  
ATOM    361  H   ASP A  24      47.180  -6.975   7.048  1.00  0.45           H  
ATOM    362  HA  ASP A  24      49.270  -5.756   5.757  1.00  0.36           H  
ATOM    363  HB2 ASP A  24      48.266  -8.606   5.587  1.00  0.80           H  
ATOM    364  HB3 ASP A  24      49.868  -8.115   5.038  1.00  0.62           H  
ATOM    365  N   LEU A  25      49.046  -5.629   3.234  1.00  0.31           N  
ATOM    366  CA  LEU A  25      48.796  -5.420   1.780  1.00  0.31           C  
ATOM    367  C   LEU A  25      49.548  -6.485   0.976  1.00  0.42           C  
ATOM    368  O   LEU A  25      50.630  -6.900   1.346  1.00  0.81           O  
ATOM    369  CB  LEU A  25      49.335  -4.016   1.479  1.00  0.28           C  
ATOM    370  CG  LEU A  25      48.827  -3.559   0.105  1.00  0.38           C  
ATOM    371  CD1 LEU A  25      47.468  -2.868   0.259  1.00  0.60           C  
ATOM    372  CD2 LEU A  25      49.825  -2.577  -0.514  1.00  0.75           C  
ATOM    373  H   LEU A  25      49.851  -5.253   3.648  1.00  0.39           H  
ATOM    374  HA  LEU A  25      47.739  -5.465   1.570  1.00  0.31           H  
ATOM    375  HB2 LEU A  25      48.995  -3.327   2.240  1.00  0.27           H  
ATOM    376  HB3 LEU A  25      50.412  -4.036   1.477  1.00  0.34           H  
ATOM    377  HG  LEU A  25      48.719  -4.419  -0.540  1.00  0.82           H  
ATOM    378 HD11 LEU A  25      46.949  -3.276   1.113  1.00  1.20           H  
ATOM    379 HD12 LEU A  25      47.618  -1.807   0.401  1.00  1.24           H  
ATOM    380 HD13 LEU A  25      46.879  -3.031  -0.632  1.00  1.30           H  
ATOM    381 HD21 LEU A  25      50.808  -2.756  -0.107  1.00  1.36           H  
ATOM    382 HD22 LEU A  25      49.848  -2.715  -1.584  1.00  1.39           H  
ATOM    383 HD23 LEU A  25      49.521  -1.564  -0.290  1.00  1.27           H  
ATOM    384  N   GLN A  26      48.975  -6.941  -0.107  1.00  0.37           N  
ATOM    385  CA  GLN A  26      49.647  -7.995  -0.929  1.00  0.43           C  
ATOM    386  C   GLN A  26      50.808  -7.403  -1.727  1.00  0.46           C  
ATOM    387  O   GLN A  26      50.659  -7.036  -2.878  1.00  0.62           O  
ATOM    388  CB  GLN A  26      48.562  -8.522  -1.871  1.00  0.58           C  
ATOM    389  CG  GLN A  26      49.096  -9.731  -2.640  1.00  1.27           C  
ATOM    390  CD  GLN A  26      47.966 -10.348  -3.468  1.00  1.63           C  
ATOM    391  OE1 GLN A  26      46.834 -10.397  -3.030  1.00  2.10           O  
ATOM    392  NE2 GLN A  26      48.228 -10.823  -4.655  1.00  2.14           N  
ATOM    393  H   GLN A  26      48.096  -6.597  -0.375  1.00  0.59           H  
ATOM    394  HA  GLN A  26      50.003  -8.792  -0.297  1.00  0.41           H  
ATOM    395  HB2 GLN A  26      47.697  -8.814  -1.293  1.00  1.13           H  
ATOM    396  HB3 GLN A  26      48.284  -7.747  -2.569  1.00  1.06           H  
ATOM    397  HG2 GLN A  26      49.894  -9.416  -3.296  1.00  1.81           H  
ATOM    398  HG3 GLN A  26      49.470 -10.465  -1.943  1.00  1.80           H  
ATOM    399 HE21 GLN A  26      49.141 -10.783  -5.008  1.00  2.51           H  
ATOM    400 HE22 GLN A  26      47.511 -11.220  -5.193  1.00  2.50           H  
ATOM    401  N   LEU A  27      51.966  -7.321  -1.124  1.00  0.38           N  
ATOM    402  CA  LEU A  27      53.149  -6.769  -1.839  1.00  0.45           C  
ATOM    403  C   LEU A  27      53.752  -7.839  -2.757  1.00  0.49           C  
ATOM    404  O   LEU A  27      53.158  -8.874  -2.992  1.00  0.90           O  
ATOM    405  CB  LEU A  27      54.130  -6.373  -0.731  1.00  0.43           C  
ATOM    406  CG  LEU A  27      53.879  -4.918  -0.320  1.00  0.51           C  
ATOM    407  CD1 LEU A  27      53.050  -4.877   0.969  1.00  0.92           C  
ATOM    408  CD2 LEU A  27      55.220  -4.212  -0.089  1.00  0.63           C  
ATOM    409  H   LEU A  27      52.058  -7.630  -0.199  1.00  0.35           H  
ATOM    410  HA  LEU A  27      52.869  -5.898  -2.410  1.00  0.54           H  
ATOM    411  HB2 LEU A  27      53.981  -7.014   0.126  1.00  0.36           H  
ATOM    412  HB3 LEU A  27      55.143  -6.478  -1.090  1.00  0.52           H  
ATOM    413  HG  LEU A  27      53.336  -4.414  -1.105  1.00  0.67           H  
ATOM    414 HD11 LEU A  27      52.586  -5.838   1.132  1.00  1.45           H  
ATOM    415 HD12 LEU A  27      53.691  -4.642   1.807  1.00  1.43           H  
ATOM    416 HD13 LEU A  27      52.286  -4.121   0.878  1.00  1.39           H  
ATOM    417 HD21 LEU A  27      55.941  -4.562  -0.813  1.00  1.22           H  
ATOM    418 HD22 LEU A  27      55.088  -3.145  -0.198  1.00  1.25           H  
ATOM    419 HD23 LEU A  27      55.575  -4.430   0.908  1.00  1.23           H  
ATOM    420  N   ARG A  28      54.920  -7.587  -3.285  1.00  0.27           N  
ATOM    421  CA  ARG A  28      55.575  -8.566  -4.203  1.00  0.28           C  
ATOM    422  C   ARG A  28      57.018  -8.134  -4.468  1.00  0.36           C  
ATOM    423  O   ARG A  28      57.600  -7.388  -3.703  1.00  1.01           O  
ATOM    424  CB  ARG A  28      54.751  -8.513  -5.494  1.00  0.41           C  
ATOM    425  CG  ARG A  28      54.547  -9.931  -6.033  1.00  1.09           C  
ATOM    426  CD  ARG A  28      53.733  -9.873  -7.328  1.00  1.48           C  
ATOM    427  NE  ARG A  28      53.922 -11.208  -7.960  1.00  1.90           N  
ATOM    428  CZ  ARG A  28      53.007 -11.687  -8.758  1.00  2.36           C  
ATOM    429  NH1 ARG A  28      51.868 -12.097  -8.273  1.00  3.00           N  
ATOM    430  NH2 ARG A  28      53.232 -11.755 -10.042  1.00  2.79           N  
ATOM    431  H   ARG A  28      55.369  -6.740  -3.083  1.00  0.48           H  
ATOM    432  HA  ARG A  28      55.546  -9.558  -3.786  1.00  0.30           H  
ATOM    433  HB2 ARG A  28      53.789  -8.065  -5.288  1.00  0.94           H  
ATOM    434  HB3 ARG A  28      55.272  -7.921  -6.231  1.00  0.95           H  
ATOM    435  HG2 ARG A  28      55.509 -10.382  -6.231  1.00  1.71           H  
ATOM    436  HG3 ARG A  28      54.015 -10.521  -5.303  1.00  1.67           H  
ATOM    437  HD2 ARG A  28      52.689  -9.702  -7.106  1.00  1.82           H  
ATOM    438  HD3 ARG A  28      54.113  -9.099  -7.977  1.00  2.08           H  
ATOM    439  HE  ARG A  28      54.733 -11.726  -7.777  1.00  2.33           H  
ATOM    440 HH11 ARG A  28      51.695 -12.045  -7.289  1.00  3.31           H  
ATOM    441 HH12 ARG A  28      51.167 -12.465  -8.884  1.00  3.49           H  
ATOM    442 HH21 ARG A  28      54.105 -11.441 -10.414  1.00  2.93           H  
ATOM    443 HH22 ARG A  28      52.531 -12.123 -10.653  1.00  3.35           H  
ATOM    444  N   LYS A  29      57.594  -8.594  -5.547  1.00  0.45           N  
ATOM    445  CA  LYS A  29      58.994  -8.213  -5.872  1.00  0.39           C  
ATOM    446  C   LYS A  29      59.046  -7.501  -7.227  1.00  0.33           C  
ATOM    447  O   LYS A  29      58.659  -8.045  -8.244  1.00  0.43           O  
ATOM    448  CB  LYS A  29      59.770  -9.537  -5.895  1.00  0.52           C  
ATOM    449  CG  LYS A  29      61.222  -9.292  -6.321  1.00  1.02           C  
ATOM    450  CD  LYS A  29      62.113 -10.405  -5.765  1.00  1.55           C  
ATOM    451  CE  LYS A  29      63.349 -10.565  -6.655  1.00  1.97           C  
ATOM    452  NZ  LYS A  29      63.550 -12.036  -6.774  1.00  2.52           N  
ATOM    453  H   LYS A  29      57.106  -9.187  -6.141  1.00  0.97           H  
ATOM    454  HA  LYS A  29      59.379  -7.573  -5.107  1.00  0.41           H  
ATOM    455  HB2 LYS A  29      59.757  -9.975  -4.906  1.00  0.89           H  
ATOM    456  HB3 LYS A  29      59.302 -10.215  -6.592  1.00  0.88           H  
ATOM    457  HG2 LYS A  29      61.283  -9.287  -7.400  1.00  1.47           H  
ATOM    458  HG3 LYS A  29      61.555  -8.340  -5.937  1.00  1.42           H  
ATOM    459  HD2 LYS A  29      62.421 -10.151  -4.761  1.00  1.99           H  
ATOM    460  HD3 LYS A  29      61.561 -11.333  -5.749  1.00  2.13           H  
ATOM    461  HE2 LYS A  29      63.171 -10.127  -7.628  1.00  2.37           H  
ATOM    462  HE3 LYS A  29      64.210 -10.111  -6.188  1.00  2.32           H  
ATOM    463  HZ1 LYS A  29      62.702 -12.468  -7.195  1.00  2.87           H  
ATOM    464  HZ2 LYS A  29      64.373 -12.226  -7.379  1.00  2.85           H  
ATOM    465  HZ3 LYS A  29      63.714 -12.441  -5.831  1.00  2.91           H  
ATOM    466  N   GLY A  30      59.517  -6.279  -7.237  1.00  0.27           N  
ATOM    467  CA  GLY A  30      59.595  -5.505  -8.510  1.00  0.33           C  
ATOM    468  C   GLY A  30      58.350  -4.626  -8.657  1.00  0.34           C  
ATOM    469  O   GLY A  30      58.366  -3.638  -9.367  1.00  0.46           O  
ATOM    470  H   GLY A  30      59.815  -5.866  -6.399  1.00  0.29           H  
ATOM    471  HA2 GLY A  30      60.476  -4.878  -8.495  1.00  0.36           H  
ATOM    472  HA3 GLY A  30      59.650  -6.186  -9.344  1.00  0.39           H  
ATOM    473  N   ASP A  31      57.273  -4.971  -7.989  1.00  0.31           N  
ATOM    474  CA  ASP A  31      56.035  -4.147  -8.090  1.00  0.33           C  
ATOM    475  C   ASP A  31      56.175  -2.903  -7.214  1.00  0.30           C  
ATOM    476  O   ASP A  31      57.042  -2.836  -6.370  1.00  0.45           O  
ATOM    477  CB  ASP A  31      54.909  -5.045  -7.575  1.00  0.35           C  
ATOM    478  CG  ASP A  31      53.566  -4.533  -8.099  1.00  0.90           C  
ATOM    479  OD1 ASP A  31      53.248  -4.825  -9.240  1.00  1.60           O  
ATOM    480  OD2 ASP A  31      52.880  -3.856  -7.351  1.00  1.60           O  
ATOM    481  H   ASP A  31      57.281  -5.765  -7.419  1.00  0.34           H  
ATOM    482  HA  ASP A  31      55.853  -3.874  -9.113  1.00  0.37           H  
ATOM    483  HB2 ASP A  31      55.069  -6.057  -7.920  1.00  0.71           H  
ATOM    484  HB3 ASP A  31      54.901  -5.030  -6.495  1.00  0.69           H  
ATOM    485  N   GLU A  32      55.334  -1.921  -7.405  1.00  0.20           N  
ATOM    486  CA  GLU A  32      55.427  -0.679  -6.571  1.00  0.17           C  
ATOM    487  C   GLU A  32      54.035  -0.336  -6.034  1.00  0.17           C  
ATOM    488  O   GLU A  32      53.041  -0.852  -6.511  1.00  0.23           O  
ATOM    489  CB  GLU A  32      55.951   0.434  -7.497  1.00  0.19           C  
ATOM    490  CG  GLU A  32      57.106  -0.073  -8.373  1.00  0.25           C  
ATOM    491  CD  GLU A  32      56.544  -0.684  -9.658  1.00  0.52           C  
ATOM    492  OE1 GLU A  32      56.023   0.065 -10.468  1.00  1.23           O  
ATOM    493  OE2 GLU A  32      56.643  -1.890  -9.810  1.00  1.30           O  
ATOM    494  H   GLU A  32      54.641  -1.996  -8.094  1.00  0.25           H  
ATOM    495  HA  GLU A  32      56.112  -0.833  -5.752  1.00  0.17           H  
ATOM    496  HB2 GLU A  32      55.155   0.769  -8.123  1.00  0.22           H  
ATOM    497  HB3 GLU A  32      56.300   1.260  -6.900  1.00  0.21           H  
ATOM    498  HG2 GLU A  32      57.756   0.752  -8.623  1.00  0.44           H  
ATOM    499  HG3 GLU A  32      57.663  -0.824  -7.834  1.00  0.43           H  
ATOM    500  N   TYR A  33      53.952   0.491  -5.020  1.00  0.17           N  
ATOM    501  CA  TYR A  33      52.622   0.816  -4.428  1.00  0.18           C  
ATOM    502  C   TYR A  33      52.444   2.325  -4.251  1.00  0.18           C  
ATOM    503  O   TYR A  33      53.223   3.123  -4.736  1.00  0.20           O  
ATOM    504  CB  TYR A  33      52.626   0.144  -3.048  1.00  0.21           C  
ATOM    505  CG  TYR A  33      53.207  -1.250  -3.132  1.00  0.22           C  
ATOM    506  CD1 TYR A  33      52.483  -2.277  -3.745  1.00  1.21           C  
ATOM    507  CD2 TYR A  33      54.481  -1.500  -2.614  1.00  1.25           C  
ATOM    508  CE1 TYR A  33      53.035  -3.556  -3.841  1.00  1.21           C  
ATOM    509  CE2 TYR A  33      55.031  -2.779  -2.706  1.00  1.27           C  
ATOM    510  CZ  TYR A  33      54.309  -3.806  -3.320  1.00  0.28           C  
ATOM    511  OH  TYR A  33      54.854  -5.062  -3.417  1.00  0.32           O  
ATOM    512  H   TYR A  33      54.756   0.863  -4.623  1.00  0.21           H  
ATOM    513  HA  TYR A  33      51.827   0.408  -5.031  1.00  0.20           H  
ATOM    514  HB2 TYR A  33      53.216   0.736  -2.366  1.00  0.22           H  
ATOM    515  HB3 TYR A  33      51.624   0.088  -2.687  1.00  0.23           H  
ATOM    516  HD1 TYR A  33      51.501  -2.082  -4.145  1.00  2.14           H  
ATOM    517  HD2 TYR A  33      55.038  -0.705  -2.140  1.00  2.17           H  
ATOM    518  HE1 TYR A  33      52.479  -4.352  -4.315  1.00  2.13           H  
ATOM    519  HE2 TYR A  33      56.015  -2.975  -2.305  1.00  2.20           H  
ATOM    520  HH  TYR A  33      55.074  -5.219  -4.339  1.00  0.84           H  
ATOM    521  N   PHE A  34      51.419   2.705  -3.534  1.00  0.18           N  
ATOM    522  CA  PHE A  34      51.154   4.150  -3.278  1.00  0.19           C  
ATOM    523  C   PHE A  34      51.129   4.405  -1.771  1.00  0.20           C  
ATOM    524  O   PHE A  34      50.378   3.783  -1.044  1.00  0.22           O  
ATOM    525  CB  PHE A  34      49.780   4.418  -3.879  1.00  0.21           C  
ATOM    526  CG  PHE A  34      49.930   4.849  -5.318  1.00  0.24           C  
ATOM    527  CD1 PHE A  34      50.123   3.889  -6.319  1.00  1.23           C  
ATOM    528  CD2 PHE A  34      49.879   6.207  -5.652  1.00  1.24           C  
ATOM    529  CE1 PHE A  34      50.263   4.288  -7.653  1.00  1.24           C  
ATOM    530  CE2 PHE A  34      50.019   6.606  -6.986  1.00  1.26           C  
ATOM    531  CZ  PHE A  34      50.211   5.646  -7.987  1.00  0.34           C  
ATOM    532  H   PHE A  34      50.823   2.028  -3.151  1.00  0.20           H  
ATOM    533  HA  PHE A  34      51.899   4.765  -3.757  1.00  0.21           H  
ATOM    534  HB2 PHE A  34      49.185   3.517  -3.831  1.00  0.22           H  
ATOM    535  HB3 PHE A  34      49.296   5.198  -3.315  1.00  0.22           H  
ATOM    536  HD1 PHE A  34      50.163   2.841  -6.062  1.00  2.15           H  
ATOM    537  HD2 PHE A  34      49.730   6.948  -4.879  1.00  2.16           H  
ATOM    538  HE1 PHE A  34      50.412   3.547  -8.425  1.00  2.16           H  
ATOM    539  HE2 PHE A  34      49.979   7.654  -7.244  1.00  2.18           H  
ATOM    540  HZ  PHE A  34      50.320   5.954  -9.017  1.00  0.38           H  
ATOM    541  N   ILE A  35      51.947   5.308  -1.300  1.00  0.22           N  
ATOM    542  CA  ILE A  35      51.992   5.599   0.168  1.00  0.25           C  
ATOM    543  C   ILE A  35      50.973   6.672   0.553  1.00  0.31           C  
ATOM    544  O   ILE A  35      50.884   7.715  -0.067  1.00  0.51           O  
ATOM    545  CB  ILE A  35      53.416   6.101   0.438  1.00  0.28           C  
ATOM    546  CG1 ILE A  35      54.450   5.061  -0.021  1.00  0.28           C  
ATOM    547  CG2 ILE A  35      53.595   6.369   1.937  1.00  0.34           C  
ATOM    548  CD1 ILE A  35      54.232   3.729   0.706  1.00  0.32           C  
ATOM    549  H   ILE A  35      52.540   5.789  -1.911  1.00  0.25           H  
ATOM    550  HA  ILE A  35      51.813   4.701   0.733  1.00  0.23           H  
ATOM    551  HB  ILE A  35      53.570   7.019  -0.104  1.00  0.31           H  
ATOM    552 HG12 ILE A  35      54.354   4.907  -1.086  1.00  0.27           H  
ATOM    553 HG13 ILE A  35      55.442   5.427   0.199  1.00  0.33           H  
ATOM    554 HG21 ILE A  35      53.228   5.524   2.500  1.00  1.13           H  
ATOM    555 HG22 ILE A  35      54.643   6.517   2.153  1.00  1.05           H  
ATOM    556 HG23 ILE A  35      53.042   7.254   2.213  1.00  0.97           H  
ATOM    557 HD11 ILE A  35      53.640   3.896   1.595  1.00  1.00           H  
ATOM    558 HD12 ILE A  35      53.715   3.043   0.053  1.00  1.06           H  
ATOM    559 HD13 ILE A  35      55.187   3.311   0.982  1.00  1.06           H  
ATOM    560  N   LEU A  36      50.220   6.422   1.591  1.00  0.34           N  
ATOM    561  CA  LEU A  36      49.213   7.417   2.059  1.00  0.40           C  
ATOM    562  C   LEU A  36      49.609   7.951   3.443  1.00  0.45           C  
ATOM    563  O   LEU A  36      49.191   9.022   3.843  1.00  0.54           O  
ATOM    564  CB  LEU A  36      47.894   6.647   2.143  1.00  0.50           C  
ATOM    565  CG  LEU A  36      47.343   6.409   0.735  1.00  0.89           C  
ATOM    566  CD1 LEU A  36      47.775   5.025   0.244  1.00  1.32           C  
ATOM    567  CD2 LEU A  36      45.814   6.483   0.766  1.00  1.40           C  
ATOM    568  H   LEU A  36      50.328   5.576   2.075  1.00  0.44           H  
ATOM    569  HA  LEU A  36      49.125   8.226   1.352  1.00  0.42           H  
ATOM    570  HB2 LEU A  36      48.062   5.699   2.630  1.00  0.54           H  
ATOM    571  HB3 LEU A  36      47.179   7.222   2.714  1.00  0.87           H  
ATOM    572  HG  LEU A  36      47.729   7.165   0.066  1.00  1.46           H  
ATOM    573 HD11 LEU A  36      47.415   4.272   0.929  1.00  1.79           H  
ATOM    574 HD12 LEU A  36      47.361   4.846  -0.738  1.00  1.85           H  
ATOM    575 HD13 LEU A  36      48.853   4.981   0.194  1.00  1.77           H  
ATOM    576 HD21 LEU A  36      45.506   7.308   1.392  1.00  1.90           H  
ATOM    577 HD22 LEU A  36      45.439   6.632  -0.235  1.00  1.94           H  
ATOM    578 HD23 LEU A  36      45.417   5.561   1.166  1.00  1.80           H  
ATOM    579  N   GLU A  37      50.409   7.211   4.179  1.00  0.49           N  
ATOM    580  CA  GLU A  37      50.827   7.671   5.537  1.00  0.62           C  
ATOM    581  C   GLU A  37      52.356   7.721   5.646  1.00  0.64           C  
ATOM    582  O   GLU A  37      53.059   7.727   4.656  1.00  1.16           O  
ATOM    583  CB  GLU A  37      50.254   6.631   6.501  1.00  0.99           C  
ATOM    584  CG  GLU A  37      49.706   7.331   7.748  1.00  1.62           C  
ATOM    585  CD  GLU A  37      48.445   6.608   8.228  1.00  2.10           C  
ATOM    586  OE1 GLU A  37      47.680   6.171   7.385  1.00  2.35           O  
ATOM    587  OE2 GLU A  37      48.267   6.505   9.431  1.00  2.82           O  
ATOM    588  H   GLU A  37      50.731   6.351   3.841  1.00  0.46           H  
ATOM    589  HA  GLU A  37      50.405   8.641   5.749  1.00  0.97           H  
ATOM    590  HB2 GLU A  37      49.458   6.089   6.011  1.00  1.48           H  
ATOM    591  HB3 GLU A  37      51.032   5.942   6.792  1.00  1.30           H  
ATOM    592  HG2 GLU A  37      50.452   7.311   8.529  1.00  2.08           H  
ATOM    593  HG3 GLU A  37      49.461   8.355   7.509  1.00  2.09           H  
ATOM    594  N   GLU A  38      52.864   7.756   6.854  1.00  0.70           N  
ATOM    595  CA  GLU A  38      54.338   7.811   7.091  1.00  1.04           C  
ATOM    596  C   GLU A  38      54.552   7.891   8.597  1.00  1.17           C  
ATOM    597  O   GLU A  38      55.340   8.676   9.089  1.00  1.90           O  
ATOM    598  CB  GLU A  38      54.848   9.092   6.409  1.00  1.60           C  
ATOM    599  CG  GLU A  38      54.072  10.312   6.925  1.00  1.85           C  
ATOM    600  CD  GLU A  38      55.035  11.483   7.137  1.00  2.50           C  
ATOM    601  OE1 GLU A  38      56.038  11.286   7.802  1.00  2.95           O  
ATOM    602  OE2 GLU A  38      54.752  12.556   6.630  1.00  3.08           O  
ATOM    603  H   GLU A  38      52.268   7.742   7.630  1.00  0.95           H  
ATOM    604  HA  GLU A  38      54.826   6.939   6.681  1.00  1.18           H  
ATOM    605  HB2 GLU A  38      55.900   9.216   6.625  1.00  1.91           H  
ATOM    606  HB3 GLU A  38      54.711   9.007   5.345  1.00  1.73           H  
ATOM    607  HG2 GLU A  38      53.321  10.591   6.200  1.00  1.86           H  
ATOM    608  HG3 GLU A  38      53.594  10.068   7.861  1.00  2.06           H  
ATOM    609  N   SER A  39      53.814   7.096   9.325  1.00  0.93           N  
ATOM    610  CA  SER A  39      53.908   7.106  10.815  1.00  1.38           C  
ATOM    611  C   SER A  39      55.349   6.899  11.277  1.00  1.45           C  
ATOM    612  O   SER A  39      56.276   6.900  10.488  1.00  2.00           O  
ATOM    613  CB  SER A  39      53.036   5.937  11.269  1.00  1.66           C  
ATOM    614  OG  SER A  39      51.680   6.208  10.938  1.00  2.04           O  
ATOM    615  H   SER A  39      53.174   6.499   8.883  1.00  0.97           H  
ATOM    616  HA  SER A  39      53.515   8.029  11.210  1.00  1.67           H  
ATOM    617  HB2 SER A  39      53.351   5.034  10.765  1.00  1.58           H  
ATOM    618  HB3 SER A  39      53.137   5.808  12.338  1.00  1.86           H  
ATOM    619  HG  SER A  39      51.324   5.437  10.489  1.00  2.35           H  
ATOM    620  N   ASN A  40      55.539   6.711  12.554  1.00  1.74           N  
ATOM    621  CA  ASN A  40      56.912   6.499  13.085  1.00  1.95           C  
ATOM    622  C   ASN A  40      57.281   5.012  13.063  1.00  1.53           C  
ATOM    623  O   ASN A  40      58.109   4.573  13.839  1.00  2.05           O  
ATOM    624  CB  ASN A  40      56.861   7.012  14.525  1.00  2.73           C  
ATOM    625  CG  ASN A  40      56.647   8.527  14.521  1.00  3.31           C  
ATOM    626  OD1 ASN A  40      57.014   9.203  13.580  1.00  3.78           O  
ATOM    627  ND2 ASN A  40      56.062   9.094  15.541  1.00  3.85           N  
ATOM    628  H   ASN A  40      54.773   6.708  13.166  1.00  2.25           H  
ATOM    629  HA  ASN A  40      57.628   7.072  12.518  1.00  2.11           H  
ATOM    630  HB2 ASN A  40      56.046   6.534  15.048  1.00  3.11           H  
ATOM    631  HB3 ASN A  40      57.792   6.784  15.022  1.00  2.99           H  
ATOM    632 HD21 ASN A  40      55.766   8.550  16.300  1.00  3.95           H  
ATOM    633 HD22 ASN A  40      55.921  10.064  15.548  1.00  4.44           H  
ATOM    634  N   LEU A  41      56.688   4.229  12.183  1.00  0.89           N  
ATOM    635  CA  LEU A  41      57.046   2.776  12.145  1.00  1.11           C  
ATOM    636  C   LEU A  41      57.292   2.302  10.700  1.00  0.77           C  
ATOM    637  O   LEU A  41      56.830   2.929   9.767  1.00  0.93           O  
ATOM    638  CB  LEU A  41      55.867   2.022  12.770  1.00  1.73           C  
ATOM    639  CG  LEU A  41      54.565   2.366  12.040  1.00  2.20           C  
ATOM    640  CD1 LEU A  41      53.678   1.123  11.973  1.00  2.93           C  
ATOM    641  CD2 LEU A  41      53.830   3.470  12.803  1.00  2.84           C  
ATOM    642  H   LEU A  41      56.020   4.594  11.552  1.00  0.77           H  
ATOM    643  HA  LEU A  41      57.931   2.608  12.738  1.00  1.62           H  
ATOM    644  HB2 LEU A  41      56.052   0.958  12.694  1.00  1.85           H  
ATOM    645  HB3 LEU A  41      55.779   2.296  13.811  1.00  2.21           H  
ATOM    646  HG  LEU A  41      54.790   2.704  11.038  1.00  2.07           H  
ATOM    647 HD11 LEU A  41      54.283   0.263  11.729  1.00  3.31           H  
ATOM    648 HD12 LEU A  41      53.205   0.968  12.931  1.00  3.16           H  
ATOM    649 HD13 LEU A  41      52.921   1.259  11.216  1.00  3.40           H  
ATOM    650 HD21 LEU A  41      53.649   3.146  13.818  1.00  3.22           H  
ATOM    651 HD22 LEU A  41      54.433   4.365  12.814  1.00  3.25           H  
ATOM    652 HD23 LEU A  41      52.887   3.677  12.318  1.00  3.08           H  
ATOM    653  N   PRO A  42      58.027   1.208  10.551  1.00  0.59           N  
ATOM    654  CA  PRO A  42      58.331   0.677   9.198  1.00  0.62           C  
ATOM    655  C   PRO A  42      57.048   0.340   8.432  1.00  0.53           C  
ATOM    656  O   PRO A  42      56.966   0.538   7.234  1.00  0.80           O  
ATOM    657  CB  PRO A  42      59.129  -0.597   9.505  1.00  0.86           C  
ATOM    658  CG  PRO A  42      59.245  -0.757  11.031  1.00  0.94           C  
ATOM    659  CD  PRO A  42      58.589   0.448  11.704  1.00  0.80           C  
ATOM    660  HA  PRO A  42      58.941   1.369   8.642  1.00  0.83           H  
ATOM    661  HB2 PRO A  42      58.622  -1.456   9.087  1.00  0.95           H  
ATOM    662  HB3 PRO A  42      60.117  -0.517   9.078  1.00  1.07           H  
ATOM    663  HG2 PRO A  42      58.739  -1.660  11.340  1.00  1.12           H  
ATOM    664  HG3 PRO A  42      60.283  -0.804  11.316  1.00  1.11           H  
ATOM    665  HD2 PRO A  42      57.806   0.126  12.377  1.00  1.01           H  
ATOM    666  HD3 PRO A  42      59.323   1.045  12.222  1.00  0.86           H  
ATOM    667  N   TRP A  43      56.057  -0.182   9.107  1.00  0.39           N  
ATOM    668  CA  TRP A  43      54.787  -0.551   8.411  1.00  0.32           C  
ATOM    669  C   TRP A  43      53.934   0.697   8.173  1.00  0.31           C  
ATOM    670  O   TRP A  43      53.613   1.425   9.093  1.00  0.50           O  
ATOM    671  CB  TRP A  43      54.063  -1.512   9.360  1.00  0.37           C  
ATOM    672  CG  TRP A  43      54.933  -2.679   9.698  1.00  0.42           C  
ATOM    673  CD1 TRP A  43      55.765  -2.713  10.748  1.00  0.51           C  
ATOM    674  CD2 TRP A  43      55.063  -3.967   9.025  1.00  0.44           C  
ATOM    675  NE1 TRP A  43      56.411  -3.935  10.776  1.00  0.58           N  
ATOM    676  CE2 TRP A  43      56.011  -4.745   9.732  1.00  0.53           C  
ATOM    677  CE3 TRP A  43      54.463  -4.531   7.885  1.00  0.43           C  
ATOM    678  CZ2 TRP A  43      56.350  -6.036   9.325  1.00  0.57           C  
ATOM    679  CZ3 TRP A  43      54.801  -5.830   7.473  1.00  0.49           C  
ATOM    680  CH2 TRP A  43      55.742  -6.581   8.191  1.00  0.54           C  
ATOM    681  H   TRP A  43      56.151  -0.344  10.068  1.00  0.56           H  
ATOM    682  HA  TRP A  43      55.001  -1.046   7.477  1.00  0.34           H  
ATOM    683  HB2 TRP A  43      53.805  -0.990  10.267  1.00  0.42           H  
ATOM    684  HB3 TRP A  43      53.170  -1.865   8.893  1.00  0.38           H  
ATOM    685  HD1 TRP A  43      55.900  -1.911  11.449  1.00  0.55           H  
ATOM    686  HE1 TRP A  43      57.073  -4.211  11.445  1.00  0.66           H  
ATOM    687  HE3 TRP A  43      53.739  -3.963   7.321  1.00  0.42           H  
ATOM    688  HZ2 TRP A  43      57.075  -6.610   9.882  1.00  0.65           H  
ATOM    689  HZ3 TRP A  43      54.333  -6.254   6.597  1.00  0.52           H  
ATOM    690  HH2 TRP A  43      55.997  -7.579   7.868  1.00  0.59           H  
ATOM    691  N   TRP A  44      53.568   0.946   6.943  1.00  0.29           N  
ATOM    692  CA  TRP A  44      52.738   2.141   6.625  1.00  0.29           C  
ATOM    693  C   TRP A  44      51.327   1.705   6.218  1.00  0.25           C  
ATOM    694  O   TRP A  44      50.919   0.587   6.451  1.00  0.32           O  
ATOM    695  CB  TRP A  44      53.419   2.779   5.412  1.00  0.38           C  
ATOM    696  CG  TRP A  44      54.837   3.150   5.693  1.00  0.40           C  
ATOM    697  CD1 TRP A  44      55.360   3.523   6.888  1.00  0.55           C  
ATOM    698  CD2 TRP A  44      55.918   3.205   4.735  1.00  0.51           C  
ATOM    699  NE1 TRP A  44      56.711   3.788   6.711  1.00  0.76           N  
ATOM    700  CE2 TRP A  44      57.099   3.605   5.394  1.00  0.76           C  
ATOM    701  CE3 TRP A  44      55.975   2.937   3.360  1.00  0.51           C  
ATOM    702  CZ2 TRP A  44      58.306   3.738   4.703  1.00  0.98           C  
ATOM    703  CZ3 TRP A  44      57.176   3.068   2.659  1.00  0.72           C  
ATOM    704  CH2 TRP A  44      58.345   3.468   3.328  1.00  0.95           C  
ATOM    705  H   TRP A  44      53.841   0.346   6.221  1.00  0.42           H  
ATOM    706  HA  TRP A  44      52.712   2.833   7.451  1.00  0.33           H  
ATOM    707  HB2 TRP A  44      53.406   2.075   4.586  1.00  0.51           H  
ATOM    708  HB3 TRP A  44      52.877   3.661   5.126  1.00  0.56           H  
ATOM    709  HD1 TRP A  44      54.817   3.598   7.823  1.00  0.57           H  
ATOM    710  HE1 TRP A  44      57.329   4.072   7.417  1.00  0.93           H  
ATOM    711  HE3 TRP A  44      55.081   2.628   2.839  1.00  0.42           H  
ATOM    712  HZ2 TRP A  44      59.200   4.046   5.224  1.00  1.19           H  
ATOM    713  HZ3 TRP A  44      57.197   2.862   1.599  1.00  0.75           H  
ATOM    714  HH2 TRP A  44      59.272   3.569   2.783  1.00  1.14           H  
ATOM    715  N   ARG A  45      50.608   2.579   5.567  1.00  0.26           N  
ATOM    716  CA  ARG A  45      49.247   2.243   5.072  1.00  0.26           C  
ATOM    717  C   ARG A  45      49.209   2.625   3.590  1.00  0.24           C  
ATOM    718  O   ARG A  45      48.627   3.620   3.207  1.00  0.32           O  
ATOM    719  CB  ARG A  45      48.288   3.109   5.890  1.00  0.34           C  
ATOM    720  CG  ARG A  45      46.987   2.342   6.134  1.00  0.94           C  
ATOM    721  CD  ARG A  45      46.188   3.033   7.242  1.00  1.13           C  
ATOM    722  NE  ARG A  45      45.115   2.067   7.606  1.00  1.59           N  
ATOM    723  CZ  ARG A  45      44.039   2.487   8.213  1.00  1.95           C  
ATOM    724  NH1 ARG A  45      44.129   3.032   9.396  1.00  2.33           N  
ATOM    725  NH2 ARG A  45      42.874   2.364   7.638  1.00  2.65           N  
ATOM    726  H   ARG A  45      50.982   3.460   5.370  1.00  0.34           H  
ATOM    727  HA  ARG A  45      49.038   1.193   5.213  1.00  0.24           H  
ATOM    728  HB2 ARG A  45      48.745   3.356   6.837  1.00  0.66           H  
ATOM    729  HB3 ARG A  45      48.071   4.017   5.347  1.00  0.65           H  
ATOM    730  HG2 ARG A  45      46.403   2.325   5.225  1.00  1.43           H  
ATOM    731  HG3 ARG A  45      47.216   1.331   6.435  1.00  1.46           H  
ATOM    732  HD2 ARG A  45      46.825   3.230   8.094  1.00  1.66           H  
ATOM    733  HD3 ARG A  45      45.752   3.949   6.876  1.00  1.68           H  
ATOM    734  HE  ARG A  45      45.215   1.116   7.390  1.00  2.20           H  
ATOM    735 HH11 ARG A  45      45.022   3.126   9.836  1.00  2.59           H  
ATOM    736 HH12 ARG A  45      43.305   3.354   9.862  1.00  2.78           H  
ATOM    737 HH21 ARG A  45      42.806   1.947   6.732  1.00  3.05           H  
ATOM    738 HH22 ARG A  45      42.050   2.687   8.104  1.00  3.11           H  
ATOM    739  N   ALA A  46      49.873   1.856   2.766  1.00  0.19           N  
ATOM    740  CA  ALA A  46      49.943   2.176   1.308  1.00  0.18           C  
ATOM    741  C   ALA A  46      49.055   1.226   0.502  1.00  0.19           C  
ATOM    742  O   ALA A  46      48.739   0.137   0.942  1.00  0.26           O  
ATOM    743  CB  ALA A  46      51.427   1.980   0.946  1.00  0.17           C  
ATOM    744  H   ALA A  46      50.352   1.078   3.114  1.00  0.20           H  
ATOM    745  HA  ALA A  46      49.656   3.200   1.133  1.00  0.20           H  
ATOM    746  HB1 ALA A  46      52.019   1.944   1.850  1.00  0.98           H  
ATOM    747  HB2 ALA A  46      51.550   1.059   0.400  1.00  1.02           H  
ATOM    748  HB3 ALA A  46      51.765   2.801   0.335  1.00  1.01           H  
ATOM    749  N   ARG A  47      48.650   1.633  -0.678  1.00  0.18           N  
ATOM    750  CA  ARG A  47      47.782   0.755  -1.517  1.00  0.19           C  
ATOM    751  C   ARG A  47      48.557   0.230  -2.721  1.00  0.20           C  
ATOM    752  O   ARG A  47      49.562   0.788  -3.114  1.00  0.22           O  
ATOM    753  CB  ARG A  47      46.637   1.640  -1.996  1.00  0.21           C  
ATOM    754  CG  ARG A  47      45.743   2.016  -0.817  1.00  0.23           C  
ATOM    755  CD  ARG A  47      45.211   3.444  -1.000  1.00  0.39           C  
ATOM    756  NE  ARG A  47      43.739   3.291  -1.167  1.00  1.15           N  
ATOM    757  CZ  ARG A  47      43.089   4.079  -1.978  1.00  1.49           C  
ATOM    758  NH1 ARG A  47      43.320   5.363  -1.965  1.00  2.10           N  
ATOM    759  NH2 ARG A  47      42.208   3.582  -2.803  1.00  2.05           N  
ATOM    760  H   ARG A  47      48.919   2.518  -1.011  1.00  0.21           H  
ATOM    761  HA  ARG A  47      47.394  -0.064  -0.932  1.00  0.20           H  
ATOM    762  HB2 ARG A  47      47.037   2.536  -2.448  1.00  0.22           H  
ATOM    763  HB3 ARG A  47      46.056   1.096  -2.724  1.00  0.24           H  
ATOM    764  HG2 ARG A  47      44.916   1.323  -0.766  1.00  0.24           H  
ATOM    765  HG3 ARG A  47      46.314   1.961   0.098  1.00  0.28           H  
ATOM    766  HD2 ARG A  47      45.432   4.039  -0.125  1.00  1.05           H  
ATOM    767  HD3 ARG A  47      45.637   3.899  -1.881  1.00  0.94           H  
ATOM    768  HE  ARG A  47      43.259   2.598  -0.667  1.00  1.86           H  
ATOM    769 HH11 ARG A  47      43.996   5.743  -1.333  1.00  2.54           H  
ATOM    770 HH12 ARG A  47      42.822   5.967  -2.587  1.00  2.50           H  
ATOM    771 HH21 ARG A  47      42.031   2.598  -2.812  1.00  2.47           H  
ATOM    772 HH22 ARG A  47      41.709   4.186  -3.425  1.00  2.46           H  
ATOM    773  N   ASP A  48      48.086  -0.834  -3.311  1.00  0.23           N  
ATOM    774  CA  ASP A  48      48.778  -1.405  -4.497  1.00  0.26           C  
ATOM    775  C   ASP A  48      48.083  -0.943  -5.787  1.00  0.28           C  
ATOM    776  O   ASP A  48      47.472   0.109  -5.826  1.00  0.30           O  
ATOM    777  CB  ASP A  48      48.671  -2.925  -4.309  1.00  0.31           C  
ATOM    778  CG  ASP A  48      47.203  -3.377  -4.353  1.00  0.35           C  
ATOM    779  OD1 ASP A  48      46.337  -2.560  -4.084  1.00  1.12           O  
ATOM    780  OD2 ASP A  48      46.972  -4.536  -4.656  1.00  1.14           O  
ATOM    781  H   ASP A  48      47.271  -1.257  -2.975  1.00  0.26           H  
ATOM    782  HA  ASP A  48      49.814  -1.104  -4.503  1.00  0.30           H  
ATOM    783  HB2 ASP A  48      49.218  -3.418  -5.090  1.00  0.33           H  
ATOM    784  HB3 ASP A  48      49.095  -3.195  -3.355  1.00  0.36           H  
ATOM    785  N   LYS A  49      48.171  -1.721  -6.837  1.00  0.34           N  
ATOM    786  CA  LYS A  49      47.516  -1.331  -8.121  1.00  0.41           C  
ATOM    787  C   LYS A  49      46.141  -1.995  -8.238  1.00  0.45           C  
ATOM    788  O   LYS A  49      45.722  -2.384  -9.312  1.00  0.70           O  
ATOM    789  CB  LYS A  49      48.454  -1.842  -9.216  1.00  0.51           C  
ATOM    790  CG  LYS A  49      49.732  -1.000  -9.229  1.00  1.09           C  
ATOM    791  CD  LYS A  49      50.234  -0.853 -10.668  1.00  1.47           C  
ATOM    792  CE  LYS A  49      49.687   0.443 -11.269  1.00  2.09           C  
ATOM    793  NZ  LYS A  49      49.816   0.267 -12.743  1.00  2.73           N  
ATOM    794  H   LYS A  49      48.668  -2.563  -6.780  1.00  0.36           H  
ATOM    795  HA  LYS A  49      47.424  -0.259  -8.186  1.00  0.49           H  
ATOM    796  HB2 LYS A  49      48.704  -2.876  -9.021  1.00  0.73           H  
ATOM    797  HB3 LYS A  49      47.964  -1.764 -10.174  1.00  0.82           H  
ATOM    798  HG2 LYS A  49      49.524  -0.023  -8.818  1.00  1.73           H  
ATOM    799  HG3 LYS A  49      50.491  -1.487  -8.634  1.00  1.64           H  
ATOM    800  HD2 LYS A  49      51.314  -0.826 -10.671  1.00  1.90           H  
ATOM    801  HD3 LYS A  49      49.893  -1.692 -11.255  1.00  2.03           H  
ATOM    802  HE2 LYS A  49      48.650   0.576 -10.993  1.00  2.57           H  
ATOM    803  HE3 LYS A  49      50.275   1.287 -10.944  1.00  2.42           H  
ATOM    804  HZ1 LYS A  49      49.292  -0.583 -13.037  1.00  3.15           H  
ATOM    805  HZ2 LYS A  49      49.427   1.100 -13.227  1.00  3.05           H  
ATOM    806  HZ3 LYS A  49      50.819   0.161 -12.993  1.00  3.09           H  
ATOM    807  N   ASN A  50      45.438  -2.122  -7.141  1.00  0.54           N  
ATOM    808  CA  ASN A  50      44.091  -2.752  -7.177  1.00  0.64           C  
ATOM    809  C   ASN A  50      43.090  -1.939  -6.345  1.00  0.89           C  
ATOM    810  O   ASN A  50      42.062  -2.445  -5.937  1.00  1.10           O  
ATOM    811  CB  ASN A  50      44.287  -4.143  -6.572  1.00  0.69           C  
ATOM    812  CG  ASN A  50      44.675  -5.131  -7.674  1.00  0.73           C  
ATOM    813  OD1 ASN A  50      45.228  -4.745  -8.685  1.00  1.20           O  
ATOM    814  ND2 ASN A  50      44.406  -6.399  -7.521  1.00  1.40           N  
ATOM    815  H   ASN A  50      45.794  -1.799  -6.296  1.00  0.73           H  
ATOM    816  HA  ASN A  50      43.755  -2.837  -8.190  1.00  0.66           H  
ATOM    817  HB2 ASN A  50      45.070  -4.106  -5.829  1.00  0.78           H  
ATOM    818  HB3 ASN A  50      43.367  -4.467  -6.109  1.00  0.84           H  
ATOM    819 HD21 ASN A  50      43.959  -6.710  -6.707  1.00  2.06           H  
ATOM    820 HD22 ASN A  50      44.650  -7.040  -8.222  1.00  1.51           H  
ATOM    821  N   GLY A  51      43.381  -0.684  -6.095  1.00  1.09           N  
ATOM    822  CA  GLY A  51      42.446   0.162  -5.294  1.00  1.40           C  
ATOM    823  C   GLY A  51      42.279  -0.432  -3.893  1.00  1.02           C  
ATOM    824  O   GLY A  51      41.241  -0.293  -3.272  1.00  1.23           O  
ATOM    825  H   GLY A  51      44.213  -0.297  -6.436  1.00  1.16           H  
ATOM    826  HA2 GLY A  51      42.846   1.163  -5.216  1.00  1.66           H  
ATOM    827  HA3 GLY A  51      41.484   0.197  -5.783  1.00  1.74           H  
ATOM    828  N   GLN A  52      43.292  -1.092  -3.394  1.00  0.55           N  
ATOM    829  CA  GLN A  52      43.201  -1.700  -2.033  1.00  0.39           C  
ATOM    830  C   GLN A  52      44.313  -1.156  -1.132  1.00  0.32           C  
ATOM    831  O   GLN A  52      45.433  -0.960  -1.565  1.00  0.35           O  
ATOM    832  CB  GLN A  52      43.381  -3.200  -2.260  1.00  0.59           C  
ATOM    833  CG  GLN A  52      42.015  -3.850  -2.489  1.00  0.65           C  
ATOM    834  CD  GLN A  52      42.018  -5.265  -1.908  1.00  1.26           C  
ATOM    835  OE1 GLN A  52      42.563  -5.497  -0.847  1.00  2.06           O  
ATOM    836  NE2 GLN A  52      41.429  -6.228  -2.562  1.00  1.78           N  
ATOM    837  H   GLN A  52      44.116  -1.190  -3.915  1.00  0.53           H  
ATOM    838  HA  GLN A  52      42.234  -1.506  -1.598  1.00  0.59           H  
ATOM    839  HB2 GLN A  52      44.006  -3.360  -3.127  1.00  0.75           H  
ATOM    840  HB3 GLN A  52      43.847  -3.641  -1.394  1.00  0.83           H  
ATOM    841  HG2 GLN A  52      41.250  -3.262  -2.003  1.00  0.96           H  
ATOM    842  HG3 GLN A  52      41.812  -3.899  -3.549  1.00  1.00           H  
ATOM    843 HE21 GLN A  52      40.989  -6.041  -3.418  1.00  2.09           H  
ATOM    844 HE22 GLN A  52      41.426  -7.138  -2.198  1.00  2.29           H  
ATOM    845  N   GLU A  53      44.009  -0.915   0.118  1.00  0.32           N  
ATOM    846  CA  GLU A  53      45.044  -0.386   1.059  1.00  0.29           C  
ATOM    847  C   GLU A  53      45.436  -1.461   2.073  1.00  0.25           C  
ATOM    848  O   GLU A  53      44.654  -2.337   2.394  1.00  0.28           O  
ATOM    849  CB  GLU A  53      44.384   0.808   1.762  1.00  0.39           C  
ATOM    850  CG  GLU A  53      43.109   0.357   2.482  1.00  1.25           C  
ATOM    851  CD  GLU A  53      42.682   1.428   3.487  1.00  1.61           C  
ATOM    852  OE1 GLU A  53      42.302   2.502   3.051  1.00  2.01           O  
ATOM    853  OE2 GLU A  53      42.744   1.157   4.675  1.00  2.26           O  
ATOM    854  H   GLU A  53      43.099  -1.084   0.440  1.00  0.41           H  
ATOM    855  HA  GLU A  53      45.912  -0.057   0.513  1.00  0.29           H  
ATOM    856  HB2 GLU A  53      45.073   1.225   2.482  1.00  1.19           H  
ATOM    857  HB3 GLU A  53      44.132   1.562   1.032  1.00  0.97           H  
ATOM    858  HG2 GLU A  53      42.321   0.207   1.758  1.00  1.87           H  
ATOM    859  HG3 GLU A  53      43.299  -0.568   3.005  1.00  1.94           H  
ATOM    860  N   GLY A  54      46.639  -1.395   2.582  1.00  0.22           N  
ATOM    861  CA  GLY A  54      47.089  -2.405   3.580  1.00  0.23           C  
ATOM    862  C   GLY A  54      48.397  -1.926   4.193  1.00  0.26           C  
ATOM    863  O   GLY A  54      48.657  -0.741   4.237  1.00  0.49           O  
ATOM    864  H   GLY A  54      47.253  -0.672   2.310  1.00  0.23           H  
ATOM    865  HA2 GLY A  54      46.339  -2.505   4.353  1.00  0.24           H  
ATOM    866  HA3 GLY A  54      47.241  -3.357   3.097  1.00  0.25           H  
ATOM    867  N   TYR A  55      49.222  -2.824   4.670  1.00  0.22           N  
ATOM    868  CA  TYR A  55      50.506  -2.381   5.282  1.00  0.22           C  
ATOM    869  C   TYR A  55      51.693  -2.612   4.342  1.00  0.22           C  
ATOM    870  O   TYR A  55      51.708  -3.528   3.543  1.00  0.31           O  
ATOM    871  CB  TYR A  55      50.654  -3.197   6.565  1.00  0.30           C  
ATOM    872  CG  TYR A  55      49.841  -2.551   7.659  1.00  0.38           C  
ATOM    873  CD1 TYR A  55      50.396  -1.525   8.433  1.00  1.29           C  
ATOM    874  CD2 TYR A  55      48.530  -2.976   7.898  1.00  1.27           C  
ATOM    875  CE1 TYR A  55      49.640  -0.924   9.446  1.00  1.35           C  
ATOM    876  CE2 TYR A  55      47.773  -2.376   8.911  1.00  1.34           C  
ATOM    877  CZ  TYR A  55      48.328  -1.350   9.685  1.00  0.69           C  
ATOM    878  OH  TYR A  55      47.581  -0.758  10.683  1.00  0.87           O  
ATOM    879  H   TYR A  55      48.995  -3.773   4.632  1.00  0.38           H  
ATOM    880  HA  TYR A  55      50.432  -1.340   5.522  1.00  0.24           H  
ATOM    881  HB2 TYR A  55      50.301  -4.202   6.396  1.00  0.35           H  
ATOM    882  HB3 TYR A  55      51.693  -3.223   6.857  1.00  0.35           H  
ATOM    883  HD1 TYR A  55      51.408  -1.196   8.248  1.00  2.18           H  
ATOM    884  HD2 TYR A  55      48.103  -3.767   7.300  1.00  2.15           H  
ATOM    885  HE1 TYR A  55      50.068  -0.133  10.043  1.00  2.24           H  
ATOM    886  HE2 TYR A  55      46.761  -2.704   9.094  1.00  2.23           H  
ATOM    887  HH  TYR A  55      47.921  -1.063  11.528  1.00  1.28           H  
ATOM    888  N   ILE A  56      52.685  -1.763   4.440  1.00  0.26           N  
ATOM    889  CA  ILE A  56      53.893  -1.877   3.569  1.00  0.28           C  
ATOM    890  C   ILE A  56      55.162  -1.630   4.428  1.00  0.26           C  
ATOM    891  O   ILE A  56      55.434  -0.496   4.771  1.00  0.31           O  
ATOM    892  CB  ILE A  56      53.687  -0.760   2.517  1.00  0.35           C  
ATOM    893  CG1 ILE A  56      52.829  -1.299   1.376  1.00  0.48           C  
ATOM    894  CG2 ILE A  56      55.015  -0.266   1.932  1.00  0.43           C  
ATOM    895  CD1 ILE A  56      51.354  -1.186   1.751  1.00  0.91           C  
ATOM    896  H   ILE A  56      52.630  -1.034   5.092  1.00  0.34           H  
ATOM    897  HA  ILE A  56      53.925  -2.844   3.082  1.00  0.31           H  
ATOM    898  HB  ILE A  56      53.176   0.070   2.980  1.00  0.46           H  
ATOM    899 HG12 ILE A  56      53.019  -0.726   0.481  1.00  1.12           H  
ATOM    900 HG13 ILE A  56      53.075  -2.334   1.200  1.00  1.22           H  
ATOM    901 HG21 ILE A  56      55.681  -1.103   1.795  1.00  1.08           H  
ATOM    902 HG22 ILE A  56      54.831   0.211   0.980  1.00  1.10           H  
ATOM    903 HG23 ILE A  56      55.461   0.446   2.611  1.00  1.10           H  
ATOM    904 HD11 ILE A  56      51.252  -0.605   2.656  1.00  1.57           H  
ATOM    905 HD12 ILE A  56      50.819  -0.703   0.950  1.00  1.57           H  
ATOM    906 HD13 ILE A  56      50.952  -2.172   1.911  1.00  1.46           H  
ATOM    907  N   PRO A  57      55.916  -2.674   4.749  1.00  0.25           N  
ATOM    908  CA  PRO A  57      57.146  -2.478   5.557  1.00  0.29           C  
ATOM    909  C   PRO A  57      58.120  -1.553   4.815  1.00  0.28           C  
ATOM    910  O   PRO A  57      58.461  -1.788   3.672  1.00  0.31           O  
ATOM    911  CB  PRO A  57      57.709  -3.898   5.676  1.00  0.34           C  
ATOM    912  CG  PRO A  57      56.777  -4.865   4.923  1.00  0.35           C  
ATOM    913  CD  PRO A  57      55.601  -4.071   4.343  1.00  0.30           C  
ATOM    914  HA  PRO A  57      56.908  -2.087   6.534  1.00  0.32           H  
ATOM    915  HB2 PRO A  57      58.699  -3.933   5.245  1.00  0.35           H  
ATOM    916  HB3 PRO A  57      57.756  -4.182   6.716  1.00  0.40           H  
ATOM    917  HG2 PRO A  57      57.321  -5.343   4.123  1.00  0.37           H  
ATOM    918  HG3 PRO A  57      56.404  -5.613   5.604  1.00  0.42           H  
ATOM    919  HD2 PRO A  57      55.573  -4.165   3.265  1.00  0.31           H  
ATOM    920  HD3 PRO A  57      54.669  -4.388   4.783  1.00  0.34           H  
ATOM    921  N   SER A  58      58.560  -0.500   5.457  1.00  0.34           N  
ATOM    922  CA  SER A  58      59.506   0.460   4.796  1.00  0.38           C  
ATOM    923  C   SER A  58      60.731  -0.272   4.236  1.00  0.37           C  
ATOM    924  O   SER A  58      61.166  -0.011   3.130  1.00  0.46           O  
ATOM    925  CB  SER A  58      59.927   1.430   5.900  1.00  0.48           C  
ATOM    926  OG  SER A  58      60.792   2.416   5.354  1.00  1.29           O  
ATOM    927  H   SER A  58      58.262  -0.335   6.374  1.00  0.41           H  
ATOM    928  HA  SER A  58      59.001   0.999   4.010  1.00  0.38           H  
ATOM    929  HB2 SER A  58      59.055   1.912   6.311  1.00  1.10           H  
ATOM    930  HB3 SER A  58      60.436   0.883   6.683  1.00  1.05           H  
ATOM    931  HG  SER A  58      61.588   2.442   5.890  1.00  1.60           H  
ATOM    932  N   ASN A  59      61.286  -1.182   4.992  1.00  0.39           N  
ATOM    933  CA  ASN A  59      62.485  -1.934   4.511  1.00  0.44           C  
ATOM    934  C   ASN A  59      62.131  -2.744   3.260  1.00  0.38           C  
ATOM    935  O   ASN A  59      62.906  -2.849   2.329  1.00  0.44           O  
ATOM    936  CB  ASN A  59      62.877  -2.848   5.686  1.00  0.53           C  
ATOM    937  CG  ASN A  59      61.871  -3.996   5.864  1.00  0.50           C  
ATOM    938  OD1 ASN A  59      62.047  -5.063   5.310  1.00  1.14           O  
ATOM    939  ND2 ASN A  59      60.822  -3.818   6.619  1.00  1.18           N  
ATOM    940  H   ASN A  59      60.913  -1.370   5.880  1.00  0.45           H  
ATOM    941  HA  ASN A  59      63.291  -1.250   4.296  1.00  0.50           H  
ATOM    942  HB2 ASN A  59      63.859  -3.257   5.511  1.00  0.61           H  
ATOM    943  HB3 ASN A  59      62.891  -2.261   6.584  1.00  0.57           H  
ATOM    944 HD21 ASN A  59      60.682  -2.958   7.067  1.00  1.95           H  
ATOM    945 HD22 ASN A  59      60.176  -4.544   6.739  1.00  1.18           H  
ATOM    946  N   TYR A  60      60.965  -3.323   3.256  1.00  0.32           N  
ATOM    947  CA  TYR A  60      60.528  -4.151   2.088  1.00  0.30           C  
ATOM    948  C   TYR A  60      60.350  -3.285   0.834  1.00  0.27           C  
ATOM    949  O   TYR A  60      60.693  -3.697  -0.259  1.00  0.40           O  
ATOM    950  CB  TYR A  60      59.187  -4.763   2.503  1.00  0.33           C  
ATOM    951  CG  TYR A  60      59.405  -6.165   3.027  1.00  0.40           C  
ATOM    952  CD1 TYR A  60      59.755  -6.366   4.368  1.00  1.26           C  
ATOM    953  CD2 TYR A  60      59.255  -7.263   2.172  1.00  1.32           C  
ATOM    954  CE1 TYR A  60      59.954  -7.663   4.853  1.00  1.29           C  
ATOM    955  CE2 TYR A  60      59.453  -8.561   2.658  1.00  1.35           C  
ATOM    956  CZ  TYR A  60      59.803  -8.761   3.998  1.00  0.59           C  
ATOM    957  OH  TYR A  60      59.998 -10.041   4.477  1.00  0.70           O  
ATOM    958  H   TYR A  60      60.379  -3.221   4.037  1.00  0.31           H  
ATOM    959  HA  TYR A  60      61.244  -4.934   1.899  1.00  0.35           H  
ATOM    960  HB2 TYR A  60      58.739  -4.156   3.275  1.00  0.31           H  
ATOM    961  HB3 TYR A  60      58.529  -4.799   1.648  1.00  0.38           H  
ATOM    962  HD1 TYR A  60      59.871  -5.520   5.028  1.00  2.15           H  
ATOM    963  HD2 TYR A  60      58.986  -7.109   1.138  1.00  2.21           H  
ATOM    964  HE1 TYR A  60      60.223  -7.818   5.888  1.00  2.18           H  
ATOM    965  HE2 TYR A  60      59.337  -9.408   1.998  1.00  2.25           H  
ATOM    966  HH  TYR A  60      60.913 -10.116   4.758  1.00  0.95           H  
ATOM    967  N   VAL A  61      59.810  -2.098   0.974  1.00  0.28           N  
ATOM    968  CA  VAL A  61      59.607  -1.224  -0.227  1.00  0.24           C  
ATOM    969  C   VAL A  61      60.650  -0.105  -0.280  1.00  0.26           C  
ATOM    970  O   VAL A  61      61.395   0.115   0.655  1.00  0.33           O  
ATOM    971  CB  VAL A  61      58.202  -0.630  -0.093  1.00  0.25           C  
ATOM    972  CG1 VAL A  61      57.166  -1.754  -0.142  1.00  0.27           C  
ATOM    973  CG2 VAL A  61      58.074   0.123   1.233  1.00  0.29           C  
ATOM    974  H   VAL A  61      59.534  -1.787   1.861  1.00  0.42           H  
ATOM    975  HA  VAL A  61      59.659  -1.819  -1.121  1.00  0.22           H  
ATOM    976  HB  VAL A  61      58.028   0.055  -0.915  1.00  0.24           H  
ATOM    977 HG11 VAL A  61      57.398  -2.422  -0.959  1.00  1.00           H  
ATOM    978 HG12 VAL A  61      57.185  -2.302   0.788  1.00  1.03           H  
ATOM    979 HG13 VAL A  61      56.183  -1.332  -0.291  1.00  1.00           H  
ATOM    980 HG21 VAL A  61      59.045   0.484   1.539  1.00  1.09           H  
ATOM    981 HG22 VAL A  61      57.402   0.958   1.107  1.00  1.04           H  
ATOM    982 HG23 VAL A  61      57.683  -0.542   1.988  1.00  1.04           H  
ATOM    983  N   THR A  62      60.693   0.603  -1.378  1.00  0.25           N  
ATOM    984  CA  THR A  62      61.669   1.721  -1.530  1.00  0.29           C  
ATOM    985  C   THR A  62      61.016   2.848  -2.358  1.00  0.30           C  
ATOM    986  O   THR A  62      59.890   3.217  -2.098  1.00  0.33           O  
ATOM    987  CB  THR A  62      62.878   1.092  -2.239  1.00  0.31           C  
ATOM    988  OG1 THR A  62      63.882   2.081  -2.423  1.00  0.37           O  
ATOM    989  CG2 THR A  62      62.458   0.534  -3.601  1.00  0.29           C  
ATOM    990  H   THR A  62      60.074   0.398  -2.111  1.00  0.26           H  
ATOM    991  HA  THR A  62      61.961   2.094  -0.560  1.00  0.32           H  
ATOM    992  HB  THR A  62      63.272   0.290  -1.633  1.00  0.33           H  
ATOM    993  HG1 THR A  62      64.625   1.857  -1.858  1.00  0.67           H  
ATOM    994 HG21 THR A  62      61.418   0.247  -3.569  1.00  1.11           H  
ATOM    995 HG22 THR A  62      62.599   1.288  -4.360  1.00  1.03           H  
ATOM    996 HG23 THR A  62      63.062  -0.330  -3.837  1.00  1.04           H  
ATOM    997  N   GLU A  63      61.692   3.398  -3.343  1.00  0.39           N  
ATOM    998  CA  GLU A  63      61.073   4.488  -4.158  1.00  0.43           C  
ATOM    999  C   GLU A  63      60.338   3.894  -5.362  1.00  0.41           C  
ATOM   1000  O   GLU A  63      60.833   3.005  -6.025  1.00  0.63           O  
ATOM   1001  CB  GLU A  63      62.243   5.360  -4.615  1.00  0.56           C  
ATOM   1002  CG  GLU A  63      62.445   6.506  -3.622  1.00  0.97           C  
ATOM   1003  CD  GLU A  63      63.612   7.382  -4.082  1.00  1.37           C  
ATOM   1004  OE1 GLU A  63      64.683   6.840  -4.301  1.00  1.77           O  
ATOM   1005  OE2 GLU A  63      63.414   8.579  -4.208  1.00  2.15           O  
ATOM   1006  H   GLU A  63      62.595   3.100  -3.546  1.00  0.48           H  
ATOM   1007  HA  GLU A  63      60.393   5.065  -3.553  1.00  0.42           H  
ATOM   1008  HB2 GLU A  63      63.141   4.762  -4.664  1.00  0.85           H  
ATOM   1009  HB3 GLU A  63      62.028   5.767  -5.592  1.00  0.90           H  
ATOM   1010  HG2 GLU A  63      61.545   7.102  -3.571  1.00  1.51           H  
ATOM   1011  HG3 GLU A  63      62.665   6.102  -2.645  1.00  1.44           H  
ATOM   1012  N   ALA A  64      59.153   4.380  -5.643  1.00  0.40           N  
ATOM   1013  CA  ALA A  64      58.356   3.848  -6.800  1.00  0.40           C  
ATOM   1014  C   ALA A  64      59.201   3.793  -8.081  1.00  0.49           C  
ATOM   1015  O   ALA A  64      59.074   2.880  -8.877  1.00  1.29           O  
ATOM   1016  CB  ALA A  64      57.198   4.832  -6.972  1.00  0.50           C  
ATOM   1017  H   ALA A  64      58.781   5.095  -5.084  1.00  0.56           H  
ATOM   1018  HA  ALA A  64      57.966   2.870  -6.564  1.00  0.34           H  
ATOM   1019  HB1 ALA A  64      57.076   5.406  -6.066  1.00  1.11           H  
ATOM   1020  HB2 ALA A  64      57.411   5.500  -7.794  1.00  1.20           H  
ATOM   1021  HB3 ALA A  64      56.289   4.286  -7.177  1.00  1.10           H  
ATOM   1022  N   GLU A  65      60.057   4.763  -8.283  1.00  1.04           N  
ATOM   1023  CA  GLU A  65      60.909   4.772  -9.510  1.00  1.12           C  
ATOM   1024  C   GLU A  65      62.325   5.247  -9.172  1.00  1.93           C  
ATOM   1025  O   GLU A  65      62.528   6.015  -8.250  1.00  2.75           O  
ATOM   1026  CB  GLU A  65      60.226   5.757 -10.459  1.00  2.09           C  
ATOM   1027  CG  GLU A  65      58.986   5.101 -11.071  1.00  2.69           C  
ATOM   1028  CD  GLU A  65      58.700   5.726 -12.438  1.00  3.81           C  
ATOM   1029  OE1 GLU A  65      58.559   6.936 -12.496  1.00  4.42           O  
ATOM   1030  OE2 GLU A  65      58.626   4.983 -13.402  1.00  4.38           O  
ATOM   1031  H   GLU A  65      60.138   5.486  -7.627  1.00  1.77           H  
ATOM   1032  HA  GLU A  65      60.937   3.791  -9.956  1.00  1.09           H  
ATOM   1033  HB2 GLU A  65      59.933   6.641  -9.910  1.00  2.70           H  
ATOM   1034  HB3 GLU A  65      60.910   6.033 -11.246  1.00  2.32           H  
ATOM   1035  HG2 GLU A  65      59.161   4.041 -11.187  1.00  2.72           H  
ATOM   1036  HG3 GLU A  65      58.138   5.258 -10.421  1.00  2.92           H  
ATOM   1037  N   ASP A  66      63.303   4.792  -9.914  1.00  2.45           N  
ATOM   1038  CA  ASP A  66      64.711   5.210  -9.647  1.00  3.62           C  
ATOM   1039  C   ASP A  66      65.420   5.546 -10.962  1.00  4.04           C  
ATOM   1040  O   ASP A  66      65.659   4.683 -11.786  1.00  4.53           O  
ATOM   1041  CB  ASP A  66      65.365   3.999  -8.981  1.00  4.34           C  
ATOM   1042  CG  ASP A  66      65.116   4.049  -7.473  1.00  5.28           C  
ATOM   1043  OD1 ASP A  66      63.988   4.309  -7.087  1.00  5.79           O  
ATOM   1044  OD2 ASP A  66      66.057   3.827  -6.729  1.00  5.79           O  
ATOM   1045  H   ASP A  66      63.109   4.175 -10.650  1.00  2.46           H  
ATOM   1046  HA  ASP A  66      64.734   6.056  -8.979  1.00  4.10           H  
ATOM   1047  HB2 ASP A  66      64.940   3.092  -9.388  1.00  4.33           H  
ATOM   1048  HB3 ASP A  66      66.428   4.015  -9.169  1.00  4.67           H  
ATOM   1049  N   SER A  67      65.756   6.795 -11.162  1.00  4.33           N  
ATOM   1050  CA  SER A  67      66.450   7.198 -12.422  1.00  5.11           C  
ATOM   1051  C   SER A  67      67.964   7.024 -12.270  1.00  5.87           C  
ATOM   1052  O   SER A  67      68.566   6.445 -13.160  1.00  6.32           O  
ATOM   1053  CB  SER A  67      66.096   8.671 -12.615  1.00  5.27           C  
ATOM   1054  OG  SER A  67      65.904   8.930 -14.000  1.00  5.64           O  
ATOM   1055  OXT SER A  67      68.494   7.472 -11.267  1.00  6.31           O  
ATOM   1056  H   SER A  67      65.551   7.470 -10.481  1.00  4.31           H  
ATOM   1057  HA  SER A  67      66.085   6.618 -13.255  1.00  5.41           H  
ATOM   1058  HB2 SER A  67      65.187   8.898 -12.083  1.00  5.38           H  
ATOM   1059  HB3 SER A  67      66.899   9.287 -12.231  1.00  5.47           H  
ATOM   1060  HG  SER A  67      65.168   9.540 -14.088  1.00  5.96           H  
TER    1061      SER A  67                                                      
MASTER      140    0    0    0    4    0    0    6  546    1    0    6          
END