HEADER    ELECTRON TRANSPORT                      01-DEC-97   1DAX              
TITLE     OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR, MINIMIZED AVERAGE 
TITLE    2 STRUCTURE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERREDOXIN I;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 OTHER_DETAILS: OXIDIZED                                              
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO AFRICANUS;                        
SOURCE   3 ORGANISM_TAXID: 873;                                                 
SOURCE   4 STRAIN: BENGHAZI                                                     
KEYWDS    ELECTRON TRANSPORT, OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I,    
KEYWDS   2 ELECTRON-TRANSFER PROTEIN, 4FE-4S CLUSTER                            
EXPDTA    SOLUTION NMR                                                          
AUTHOR    S.L.DAVY,M.J.OSBORNE,G.R.MOORE                                        
REVDAT   4   16-FEB-22 1DAX    1       REMARK LINK                              
REVDAT   3   24-MAR-09 1DAX    1       ATOM   CONECT                            
REVDAT   2   24-FEB-09 1DAX    1       VERSN                                    
REVDAT   1   13-JAN-99 1DAX    0                                                
JRNL        AUTH   S.L.DAVY,M.J.OSBORNE,G.R.MOORE                               
JRNL        TITL   DETERMINATION OF THE STRUCTURE OF OXIDISED DESULFOVIBRIO     
JRNL        TITL 2 AFRICANUS FERREDOXIN I BY 1H NMR SPECTROSCOPY AND COMPARISON 
JRNL        TITL 3 OF ITS SOLUTION STRUCTURE WITH ITS CRYSTAL STRUCTURE.        
JRNL        REF    J.MOL.BIOL.                   V. 277   683 1998              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   9533888                                                      
JRNL        DOI    10.1006/JMBI.1998.1631                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : GUNTERT,WUTHRICH                                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1DAX 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_1000172717.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.2                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 90%H2O/10%D2O, 99.9%D2O            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY; TOCSY; NOESY; 1D NOE     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 400 MHZ; 500 MHZ; 600 MHZ          
REMARK 210  SPECTROMETER MODEL             : JEOL GX-400; JEOL A-500; BRUKER    
REMARK 210                                   AMX500 AND AMX600; VARIAN UNITY    
REMARK 210                                   INOVA 600                          
REMARK 210  SPECTROMETER MANUFACTURER      : JEOL; BRUKER; VARIAN               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DIANA 2.5, X-PLOR 3.843            
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, DG-SIMULATED    
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 75                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURES WERE OBTAINED USING 1H-1H 2D NMR              
REMARK 210  EXPERIMENTS (DQF-COSY, TOCSY, NOESY). ADDITIONALLY 1D NOE           
REMARK 210  EXPERIMENTS PROVIDED INFORMATION ON THE REGIONS OF THE PROTEIN      
REMARK 210  CLOSE TO THE PARAMAGNETIC 4FE-4S CLUSTER.                           
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    ASP A     7     H    ASP A     9              0.23            
REMARK 500   OD2  ASP A    28     HD2  PRO A    29              1.05            
REMARK 500   HA   MET A    27     O    LYS A    33              1.07            
REMARK 500   HB2  ALA A    42    HG22  VAL A    47              1.11            
REMARK 500   HB   ILE A    20     HB3  ALA A    50              1.19            
REMARK 500   O    ASP A     7     N    ASP A     9              1.19            
REMARK 500  HG13  ILE A    12     H    ALA A    13              1.24            
REMARK 500   HA   TYR A     5    HG13  VAL A    36              1.25            
REMARK 500   HB3  GLU A    10     HB3  CYS A    58              1.28            
REMARK 500  HG22  VAL A     6     CZ   PHE A    25              1.29            
REMARK 500   C    ASP A     7     H    ASP A     9              1.32            
REMARK 500  HG12  VAL A     6     HB   ILE A    59              1.35            
REMARK 500   CG   ASP A    28     HD2  PRO A    29              1.39            
REMARK 500   O    TYR A     5    HG13  ILE A    59              1.41            
REMARK 500   O    GLN A    44     HB2  GLU A    48              1.47            
REMARK 500   O    ASP A    28     HA   GLU A    32              1.53            
REMARK 500  HG11  VAL A     6     O    CYS A    58              1.54            
REMARK 500   HG3  GLN A     8     O    ALA A    34              1.59            
REMARK 500   O    ILE A    31     N    LYS A    33              2.02            
REMARK 500   CA   MET A    27     O    LYS A    33              2.06            
REMARK 500   CG2  VAL A     6     CZ   PHE A    25              2.15            
REMARK 500   C    ASP A     7     N    ASP A     9              2.17            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A   3     -156.17   -123.94                                   
REMARK 500    PHE A   4      177.08    165.92                                   
REMARK 500    TYR A   5     -160.02    174.40                                   
REMARK 500    GLN A   8       -0.05     -0.86                                   
REMARK 500    ALA A  13       25.77    161.87                                   
REMARK 500    ILE A  20        7.78    -63.43                                   
REMARK 500    ALA A  21       66.19   -178.15                                   
REMARK 500    PRO A  22       32.76    -73.57                                   
REMARK 500    ALA A  26      112.47   -174.62                                   
REMARK 500    GLU A  32       43.37     14.85                                   
REMARK 500    CYS A  58       28.74    -76.37                                   
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   2         0.09    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  65  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  11   SG                                                     
REMARK 620 2 SF4 A  65   S2  113.8                                              
REMARK 620 3 SF4 A  65   S3  116.6 108.0                                        
REMARK 620 4 SF4 A  65   S4  104.6 105.0 108.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  65  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  14   SG                                                     
REMARK 620 2 SF4 A  65   S1  100.4                                              
REMARK 620 3 SF4 A  65   S3  113.9 100.3                                        
REMARK 620 4 SF4 A  65   S4  136.2  98.0 101.3                                  
REMARK 620 5 CYS A  14   O    82.7 118.8 134.5  53.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  65  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  17   SG                                                     
REMARK 620 2 SF4 A  65   S1  102.2                                              
REMARK 620 3 SF4 A  65   S2  128.3 105.3                                        
REMARK 620 4 SF4 A  65   S4  113.8 107.2  98.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  65  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  54   SG                                                     
REMARK 620 2 SF4 A  65   S1  115.1                                              
REMARK 620 3 SF4 A  65   S2  119.7 104.0                                        
REMARK 620 4 SF4 A  65   S3  113.2 103.1  99.4                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 65                  
DBREF  1DAX A    1    64  UNP    P00210   FER1_DESAF       1     64             
SEQRES   1 A   64  ALA ARG LYS PHE TYR VAL ASP GLN ASP GLU CYS ILE ALA          
SEQRES   2 A   64  CYS GLU SER CYS VAL GLU ILE ALA PRO GLY ALA PHE ALA          
SEQRES   3 A   64  MET ASP PRO GLU ILE GLU LYS ALA TYR VAL LYS ASP VAL          
SEQRES   4 A   64  GLU GLY ALA SER GLN GLU GLU VAL GLU GLU ALA MET ASP          
SEQRES   5 A   64  THR CYS PRO VAL GLN CYS ILE HIS TRP GLU ASP GLU              
HET    SF4  A  65       8                                                       
HETNAM     SF4 IRON/SULFUR CLUSTER                                              
FORMUL   2  SF4    FE4 S4                                                       
HELIX    1   1 SER A   16  ALA A   21  1                                   6    
HELIX    2   2 GLN A   44  THR A   53  1                                  10    
SHEET    1   A 2 PHE A  25  MET A  27  0                                        
SHEET    2   A 2 ALA A  34  VAL A  36 -1  N  TYR A  35   O  ALA A  26           
LINK         SG  CYS A  11                FE1  SF4 A  65     1555   1555  2.18  
LINK         SG  CYS A  14                FE2  SF4 A  65     1555   1555  2.18  
LINK         O   CYS A  14                FE2  SF4 A  65     1555   1555  2.44  
LINK         SG  CYS A  17                FE3  SF4 A  65     1555   1555  2.18  
LINK         SG  CYS A  54                FE4  SF4 A  65     1555   1555  2.18  
SITE     1 AC1  7 CYS A  11  ILE A  12  CYS A  14  CYS A  17                    
SITE     2 AC1  7 ALA A  34  CYS A  54  CYS A  58                               
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   ALA A   1       0.805  -0.200  -0.727  1.00  2.25           N  
ATOM      2  CA  ALA A   1       0.681  -0.835   0.616  1.00  1.84           C  
ATOM      3  C   ALA A   1       1.769  -1.898   0.780  1.00  1.44           C  
ATOM      4  O   ALA A   1       2.947  -1.601   0.765  1.00  2.13           O  
ATOM      5  CB  ALA A   1      -0.696  -1.489   0.745  1.00  2.53           C  
ATOM      6  H1  ALA A   1       1.762  -0.359  -1.100  1.00  2.69           H  
ATOM      7  H2  ALA A   1       0.105  -0.618  -1.373  1.00  2.56           H  
ATOM      8  H3  ALA A   1       0.634   0.822  -0.644  1.00  2.64           H  
ATOM      9  HA  ALA A   1       0.795  -0.082   1.382  1.00  2.23           H  
ATOM     10  HB1 ALA A   1      -0.834  -2.199  -0.057  1.00  2.81           H  
ATOM     11  HB2 ALA A   1      -0.764  -2.001   1.694  1.00  2.88           H  
ATOM     12  HB3 ALA A   1      -1.463  -0.730   0.690  1.00  3.13           H  
ATOM     13  N   ARG A   2       1.384  -3.135   0.935  1.00  1.07           N  
ATOM     14  CA  ARG A   2       2.398  -4.215   1.099  1.00  0.81           C  
ATOM     15  C   ARG A   2       2.437  -5.075  -0.166  1.00  0.70           C  
ATOM     16  O   ARG A   2       1.421  -5.541  -0.644  1.00  0.85           O  
ATOM     17  CB  ARG A   2       2.024  -5.089   2.298  1.00  1.08           C  
ATOM     18  CG  ARG A   2       2.981  -4.802   3.457  1.00  1.76           C  
ATOM     19  CD  ARG A   2       2.433  -5.431   4.740  1.00  2.26           C  
ATOM     20  NE  ARG A   2       2.474  -4.427   5.841  1.00  3.00           N  
ATOM     21  CZ  ARG A   2       2.398  -4.819   7.084  1.00  3.56           C  
ATOM     22  NH1 ARG A   2       1.962  -6.016   7.366  1.00  4.04           N  
ATOM     23  NH2 ARG A   2       2.758  -4.013   8.045  1.00  4.07           N  
ATOM     24  H   ARG A   2       0.430  -3.355   0.943  1.00  1.65           H  
ATOM     25  HA  ARG A   2       3.370  -3.775   1.264  1.00  0.93           H  
ATOM     26  HB2 ARG A   2       1.011  -4.867   2.603  1.00  1.54           H  
ATOM     27  HB3 ARG A   2       2.098  -6.130   2.022  1.00  1.51           H  
ATOM     28  HG2 ARG A   2       3.951  -5.223   3.235  1.00  2.17           H  
ATOM     29  HG3 ARG A   2       3.073  -3.735   3.593  1.00  2.34           H  
ATOM     30  HD2 ARG A   2       1.413  -5.747   4.578  1.00  2.66           H  
ATOM     31  HD3 ARG A   2       3.036  -6.285   5.008  1.00  2.37           H  
ATOM     32  HE  ARG A   2       2.558  -3.473   5.632  1.00  3.38           H  
ATOM     33 HH11 ARG A   2       1.686  -6.634   6.629  1.00  4.05           H  
ATOM     34 HH12 ARG A   2       1.903  -6.316   8.318  1.00  4.66           H  
ATOM     35 HH21 ARG A   2       3.092  -3.095   7.829  1.00  4.15           H  
ATOM     36 HH22 ARG A   2       2.700  -4.312   8.997  1.00  4.64           H  
ATOM     37  N   LYS A   3       3.603  -5.292  -0.712  1.00  0.60           N  
ATOM     38  CA  LYS A   3       3.705  -6.123  -1.945  1.00  0.53           C  
ATOM     39  C   LYS A   3       4.671  -7.284  -1.698  1.00  0.48           C  
ATOM     40  O   LYS A   3       4.891  -7.693  -0.576  1.00  0.49           O  
ATOM     41  CB  LYS A   3       4.225  -5.262  -3.098  1.00  0.52           C  
ATOM     42  CG  LYS A   3       3.568  -5.709  -4.406  1.00  0.58           C  
ATOM     43  CD  LYS A   3       2.862  -4.518  -5.057  1.00  1.18           C  
ATOM     44  CE  LYS A   3       1.734  -5.022  -5.959  1.00  1.57           C  
ATOM     45  NZ  LYS A   3       1.679  -4.192  -7.196  1.00  2.33           N  
ATOM     46  H   LYS A   3       4.411  -4.909  -0.311  1.00  0.68           H  
ATOM     47  HA  LYS A   3       2.730  -6.513  -2.198  1.00  0.59           H  
ATOM     48  HB2 LYS A   3       3.985  -4.225  -2.910  1.00  0.54           H  
ATOM     49  HB3 LYS A   3       5.295  -5.376  -3.179  1.00  0.52           H  
ATOM     50  HG2 LYS A   3       4.324  -6.090  -5.076  1.00  1.09           H  
ATOM     51  HG3 LYS A   3       2.845  -6.484  -4.200  1.00  0.88           H  
ATOM     52  HD2 LYS A   3       2.451  -3.880  -4.288  1.00  1.83           H  
ATOM     53  HD3 LYS A   3       3.571  -3.958  -5.648  1.00  1.77           H  
ATOM     54  HE2 LYS A   3       1.919  -6.052  -6.226  1.00  1.85           H  
ATOM     55  HE3 LYS A   3       0.793  -4.949  -5.434  1.00  2.04           H  
ATOM     56  HZ1 LYS A   3       1.823  -3.192  -6.950  1.00  2.78           H  
ATOM     57  HZ2 LYS A   3       2.425  -4.499  -7.853  1.00  2.81           H  
ATOM     58  HZ3 LYS A   3       0.749  -4.305  -7.648  1.00  2.57           H  
ATOM     59  N   PHE A   4       5.248  -7.819  -2.739  1.00  0.46           N  
ATOM     60  CA  PHE A   4       6.200  -8.952  -2.563  1.00  0.45           C  
ATOM     61  C   PHE A   4       6.458  -9.615  -3.918  1.00  0.42           C  
ATOM     62  O   PHE A   4       5.883  -9.244  -4.922  1.00  0.49           O  
ATOM     63  CB  PHE A   4       5.601  -9.977  -1.598  1.00  0.53           C  
ATOM     64  CG  PHE A   4       4.279 -10.467  -2.138  1.00  0.69           C  
ATOM     65  CD1 PHE A   4       4.246 -11.288  -3.272  1.00  1.50           C  
ATOM     66  CD2 PHE A   4       3.085 -10.100  -1.505  1.00  1.41           C  
ATOM     67  CE1 PHE A   4       3.020 -11.743  -3.772  1.00  1.68           C  
ATOM     68  CE2 PHE A   4       1.859 -10.555  -2.005  1.00  1.58           C  
ATOM     69  CZ  PHE A   4       1.827 -11.376  -3.138  1.00  1.24           C  
ATOM     70  H   PHE A   4       5.059  -7.474  -3.636  1.00  0.48           H  
ATOM     71  HA  PHE A   4       7.131  -8.581  -2.162  1.00  0.45           H  
ATOM     72  HB2 PHE A   4       6.278 -10.811  -1.494  1.00  0.57           H  
ATOM     73  HB3 PHE A   4       5.446  -9.515  -0.634  1.00  0.61           H  
ATOM     74  HD1 PHE A   4       5.167 -11.570  -3.760  1.00  2.30           H  
ATOM     75  HD2 PHE A   4       3.110  -9.467  -0.630  1.00  2.21           H  
ATOM     76  HE1 PHE A   4       2.995 -12.376  -4.645  1.00  2.52           H  
ATOM     77  HE2 PHE A   4       0.938 -10.273  -1.516  1.00  2.39           H  
ATOM     78  HZ  PHE A   4       0.881 -11.727  -3.524  1.00  1.48           H  
ATOM     79  N   TYR A   5       7.320 -10.595  -3.953  1.00  0.39           N  
ATOM     80  CA  TYR A   5       7.616 -11.282  -5.242  1.00  0.40           C  
ATOM     81  C   TYR A   5       8.750 -12.284  -5.027  1.00  0.38           C  
ATOM     82  O   TYR A   5       9.024 -12.694  -3.918  1.00  0.48           O  
ATOM     83  CB  TYR A   5       8.037 -10.247  -6.288  1.00  0.42           C  
ATOM     84  CG  TYR A   5       9.354  -9.629  -5.887  1.00  0.41           C  
ATOM     85  CD1 TYR A   5       9.401  -8.692  -4.846  1.00  1.30           C  
ATOM     86  CD2 TYR A   5      10.531  -9.992  -6.554  1.00  1.28           C  
ATOM     87  CE1 TYR A   5      10.623  -8.120  -4.474  1.00  1.32           C  
ATOM     88  CE2 TYR A   5      11.752  -9.418  -6.183  1.00  1.35           C  
ATOM     89  CZ  TYR A   5      11.799  -8.483  -5.142  1.00  0.66           C  
ATOM     90  OH  TYR A   5      13.003  -7.918  -4.776  1.00  0.83           O  
ATOM     91  H   TYR A   5       7.774 -10.880  -3.132  1.00  0.42           H  
ATOM     92  HA  TYR A   5       6.733 -11.802  -5.583  1.00  0.50           H  
ATOM     93  HB2 TYR A   5       8.143 -10.730  -7.249  1.00  0.50           H  
ATOM     94  HB3 TYR A   5       7.285  -9.476  -6.354  1.00  0.48           H  
ATOM     95  HD1 TYR A   5       8.494  -8.413  -4.331  1.00  2.20           H  
ATOM     96  HD2 TYR A   5      10.494 -10.714  -7.357  1.00  2.15           H  
ATOM     97  HE1 TYR A   5      10.659  -7.397  -3.672  1.00  2.20           H  
ATOM     98  HE2 TYR A   5      12.659  -9.699  -6.697  1.00  2.26           H  
ATOM     99  HH  TYR A   5      13.214  -8.217  -3.889  1.00  1.26           H  
ATOM    100  N   VAL A   6       9.411 -12.683  -6.078  1.00  0.35           N  
ATOM    101  CA  VAL A   6      10.524 -13.660  -5.924  1.00  0.35           C  
ATOM    102  C   VAL A   6      11.560 -13.435  -7.024  1.00  0.29           C  
ATOM    103  O   VAL A   6      11.348 -12.668  -7.943  1.00  0.53           O  
ATOM    104  CB  VAL A   6       9.971 -15.081  -6.025  1.00  0.61           C  
ATOM    105  CG1 VAL A   6      10.574 -15.939  -4.912  1.00  0.71           C  
ATOM    106  CG2 VAL A   6       8.449 -15.047  -5.877  1.00  1.01           C  
ATOM    107  H   VAL A   6       9.176 -12.343  -6.966  1.00  0.40           H  
ATOM    108  HA  VAL A   6      10.990 -13.523  -4.959  1.00  0.43           H  
ATOM    109  HB  VAL A   6      10.234 -15.501  -6.985  1.00  0.68           H  
ATOM    110 HG11 VAL A   6      11.548 -15.556  -4.650  1.00  1.11           H  
ATOM    111 HG12 VAL A   6       9.929 -15.908  -4.045  1.00  1.34           H  
ATOM    112 HG13 VAL A   6      10.667 -16.958  -5.254  1.00  1.18           H  
ATOM    113 HG21 VAL A   6       8.045 -14.251  -6.486  1.00  1.57           H  
ATOM    114 HG22 VAL A   6       8.035 -15.991  -6.198  1.00  1.41           H  
ATOM    115 HG23 VAL A   6       8.192 -14.874  -4.843  1.00  1.39           H  
ATOM    116  N   ASP A   7      12.678 -14.099  -6.940  1.00  0.35           N  
ATOM    117  CA  ASP A   7      13.726 -13.923  -7.983  1.00  0.41           C  
ATOM    118  C   ASP A   7      14.087 -15.283  -8.577  1.00  0.42           C  
ATOM    119  O   ASP A   7      15.244 -15.611  -8.750  1.00  0.71           O  
ATOM    120  CB  ASP A   7      14.970 -13.293  -7.355  1.00  0.60           C  
ATOM    121  CG  ASP A   7      15.425 -12.105  -8.205  1.00  1.08           C  
ATOM    122  OD1 ASP A   7      15.596 -12.287  -9.399  1.00  1.80           O  
ATOM    123  OD2 ASP A   7      15.595 -11.033  -7.647  1.00  1.57           O  
ATOM    124  H   ASP A   7      12.830 -14.714  -6.192  1.00  0.55           H  
ATOM    125  HA  ASP A   7      13.349 -13.281  -8.763  1.00  0.49           H  
ATOM    126  HB2 ASP A   7      14.735 -12.954  -6.356  1.00  0.87           H  
ATOM    127  HB3 ASP A   7      15.762 -14.025  -7.310  1.00  0.79           H  
ATOM    128  N   GLN A   8      13.104 -16.077  -8.895  1.00  0.46           N  
ATOM    129  CA  GLN A   8      13.386 -17.415  -9.482  1.00  0.58           C  
ATOM    130  C   GLN A   8      14.898 -17.601  -9.626  1.00  0.65           C  
ATOM    131  O   GLN A   8      15.367 -18.622 -10.087  1.00  1.04           O  
ATOM    132  CB  GLN A   8      12.731 -17.513 -10.859  1.00  0.72           C  
ATOM    133  CG  GLN A   8      11.210 -17.549 -10.701  1.00  0.99           C  
ATOM    134  CD  GLN A   8      10.674 -16.119 -10.612  1.00  1.20           C  
ATOM    135  OE1 GLN A   8      10.480 -15.467 -11.618  1.00  1.95           O  
ATOM    136  NE2 GLN A   8      10.423 -15.600  -9.441  1.00  1.14           N  
ATOM    137  H   GLN A   8      12.178 -15.792  -8.748  1.00  0.65           H  
ATOM    138  HA  GLN A   8      12.988 -18.182  -8.837  1.00  0.60           H  
ATOM    139  HB2 GLN A   8      13.012 -16.655 -11.453  1.00  1.31           H  
ATOM    140  HB3 GLN A   8      13.063 -18.414 -11.350  1.00  1.36           H  
ATOM    141  HG2 GLN A   8      10.772 -18.047 -11.554  1.00  1.63           H  
ATOM    142  HG3 GLN A   8      10.954 -18.084  -9.799  1.00  1.68           H  
ATOM    143 HE21 GLN A   8      10.580 -16.127  -8.629  1.00  1.29           H  
ATOM    144 HE22 GLN A   8      10.079 -14.686  -9.373  1.00  1.43           H  
ATOM    145  N   ASP A   9      15.661 -16.618  -9.237  1.00  0.67           N  
ATOM    146  CA  ASP A   9      17.143 -16.733  -9.353  1.00  0.79           C  
ATOM    147  C   ASP A   9      17.638 -17.862  -8.448  1.00  0.70           C  
ATOM    148  O   ASP A   9      18.474 -18.657  -8.831  1.00  0.77           O  
ATOM    149  CB  ASP A   9      17.791 -15.415  -8.926  1.00  0.99           C  
ATOM    150  CG  ASP A   9      18.915 -15.059  -9.901  1.00  1.25           C  
ATOM    151  OD1 ASP A   9      19.949 -15.705  -9.845  1.00  1.60           O  
ATOM    152  OD2 ASP A   9      18.722 -14.146 -10.688  1.00  1.82           O  
ATOM    153  H   ASP A   9      15.260 -15.805  -8.869  1.00  0.91           H  
ATOM    154  HA  ASP A   9      17.408 -16.950 -10.377  1.00  0.85           H  
ATOM    155  HB2 ASP A   9      17.048 -14.631  -8.929  1.00  1.00           H  
ATOM    156  HB3 ASP A   9      18.200 -15.521  -7.932  1.00  1.05           H  
ATOM    157  N   GLU A  10      17.128 -17.941  -7.250  1.00  0.64           N  
ATOM    158  CA  GLU A  10      17.569 -19.019  -6.323  1.00  0.65           C  
ATOM    159  C   GLU A  10      16.490 -20.102  -6.254  1.00  0.51           C  
ATOM    160  O   GLU A  10      16.256 -20.694  -5.219  1.00  0.61           O  
ATOM    161  CB  GLU A  10      17.789 -18.429  -4.928  1.00  0.84           C  
ATOM    162  CG  GLU A  10      18.468 -19.468  -4.034  1.00  1.53           C  
ATOM    163  CD  GLU A  10      19.908 -19.037  -3.752  1.00  1.73           C  
ATOM    164  OE1 GLU A  10      20.655 -18.879  -4.703  1.00  2.12           O  
ATOM    165  OE2 GLU A  10      20.238 -18.870  -2.590  1.00  2.31           O  
ATOM    166  H   GLU A  10      16.454 -17.291  -6.962  1.00  0.65           H  
ATOM    167  HA  GLU A  10      18.491 -19.450  -6.682  1.00  0.70           H  
ATOM    168  HB2 GLU A  10      18.417 -17.553  -5.003  1.00  0.79           H  
ATOM    169  HB3 GLU A  10      16.837 -18.154  -4.499  1.00  1.39           H  
ATOM    170  HG2 GLU A  10      17.926 -19.551  -3.103  1.00  2.14           H  
ATOM    171  HG3 GLU A  10      18.473 -20.425  -4.534  1.00  2.02           H  
ATOM    172  N   CYS A  11      15.832 -20.366  -7.350  1.00  0.44           N  
ATOM    173  CA  CYS A  11      14.769 -21.411  -7.346  1.00  0.36           C  
ATOM    174  C   CYS A  11      15.300 -22.683  -8.008  1.00  0.42           C  
ATOM    175  O   CYS A  11      15.669 -22.685  -9.165  1.00  0.55           O  
ATOM    176  CB  CYS A  11      13.549 -20.901  -8.118  1.00  0.29           C  
ATOM    177  SG  CYS A  11      12.269 -22.171  -8.427  1.00  0.28           S  
ATOM    178  H   CYS A  11      16.036 -19.877  -8.174  1.00  0.55           H  
ATOM    179  HA  CYS A  11      14.484 -21.628  -6.327  1.00  0.43           H  
ATOM    180  HB2 CYS A  11      13.078 -20.105  -7.561  1.00  0.33           H  
ATOM    181  HB3 CYS A  11      13.864 -20.528  -9.081  1.00  0.31           H  
ATOM    182  N   ILE A  12      15.341 -23.767  -7.281  1.00  0.52           N  
ATOM    183  CA  ILE A  12      15.848 -25.040  -7.867  1.00  0.64           C  
ATOM    184  C   ILE A  12      14.847 -25.560  -8.900  1.00  0.65           C  
ATOM    185  O   ILE A  12      15.140 -25.638 -10.076  1.00  1.09           O  
ATOM    186  CB  ILE A  12      16.024 -26.078  -6.757  1.00  0.75           C  
ATOM    187  CG1 ILE A  12      14.742 -26.155  -5.922  1.00  0.78           C  
ATOM    188  CG2 ILE A  12      17.193 -25.672  -5.857  1.00  0.92           C  
ATOM    189  CD1 ILE A  12      14.924 -27.178  -4.800  1.00  1.41           C  
ATOM    190  H   ILE A  12      15.038 -23.743  -6.349  1.00  0.62           H  
ATOM    191  HA  ILE A  12      16.799 -24.861  -8.346  1.00  0.69           H  
ATOM    192  HB  ILE A  12      16.228 -27.044  -7.196  1.00  0.87           H  
ATOM    193 HG12 ILE A  12      14.534 -25.184  -5.495  1.00  0.79           H  
ATOM    194 HG13 ILE A  12      13.920 -26.456  -6.552  1.00  1.09           H  
ATOM    195 HG21 ILE A  12      17.934 -25.150  -6.445  1.00  1.41           H  
ATOM    196 HG22 ILE A  12      16.834 -25.023  -5.072  1.00  1.39           H  
ATOM    197 HG23 ILE A  12      17.635 -26.555  -5.421  1.00  1.39           H  
ATOM    198 HD11 ILE A  12      15.786 -26.912  -4.205  1.00  1.92           H  
ATOM    199 HD12 ILE A  12      14.044 -27.187  -4.175  1.00  1.93           H  
ATOM    200 HD13 ILE A  12      15.071 -28.159  -5.227  1.00  1.84           H  
ATOM    201  N   ALA A  13      13.667 -25.915  -8.471  1.00  0.87           N  
ATOM    202  CA  ALA A  13      12.649 -26.428  -9.431  1.00  0.98           C  
ATOM    203  C   ALA A  13      11.557 -27.181  -8.668  1.00  0.77           C  
ATOM    204  O   ALA A  13      10.902 -28.053  -9.204  1.00  1.02           O  
ATOM    205  CB  ALA A  13      13.320 -27.376 -10.428  1.00  1.30           C  
ATOM    206  H   ALA A  13      13.450 -25.843  -7.518  1.00  1.29           H  
ATOM    207  HA  ALA A  13      12.208 -25.600  -9.965  1.00  1.09           H  
ATOM    208  HB1 ALA A  13      14.344 -27.071 -10.581  1.00  1.81           H  
ATOM    209  HB2 ALA A  13      13.299 -28.383 -10.036  1.00  1.68           H  
ATOM    210  HB3 ALA A  13      12.789 -27.345 -11.367  1.00  1.62           H  
ATOM    211  N   CYS A  14      11.354 -26.854  -7.420  1.00  0.63           N  
ATOM    212  CA  CYS A  14      10.302 -27.554  -6.631  1.00  0.47           C  
ATOM    213  C   CYS A  14       9.017 -26.722  -6.643  1.00  0.53           C  
ATOM    214  O   CYS A  14       9.052 -25.508  -6.645  1.00  1.09           O  
ATOM    215  CB  CYS A  14      10.782 -27.745  -5.191  1.00  0.42           C  
ATOM    216  SG  CYS A  14      10.205 -26.496  -3.985  1.00  0.32           S  
ATOM    217  H   CYS A  14      11.891 -26.147  -7.004  1.00  0.89           H  
ATOM    218  HA  CYS A  14      10.106 -28.520  -7.075  1.00  0.55           H  
ATOM    219  HB2 CYS A  14      10.443 -28.703  -4.825  1.00  0.46           H  
ATOM    220  HB3 CYS A  14      11.862 -27.717  -5.168  1.00  0.43           H  
ATOM    221  N   GLU A  15       7.882 -27.368  -6.660  1.00  0.61           N  
ATOM    222  CA  GLU A  15       6.595 -26.614  -6.681  1.00  0.66           C  
ATOM    223  C   GLU A  15       6.107 -26.379  -5.249  1.00  0.50           C  
ATOM    224  O   GLU A  15       4.973 -26.005  -5.026  1.00  0.71           O  
ATOM    225  CB  GLU A  15       5.546 -27.423  -7.448  1.00  0.94           C  
ATOM    226  CG  GLU A  15       6.033 -27.662  -8.879  1.00  1.78           C  
ATOM    227  CD  GLU A  15       5.200 -28.774  -9.522  1.00  2.18           C  
ATOM    228  OE1 GLU A  15       3.991 -28.624  -9.578  1.00  2.67           O  
ATOM    229  OE2 GLU A  15       5.787 -29.755  -9.949  1.00  2.55           O  
ATOM    230  H   GLU A  15       7.876 -28.348  -6.663  1.00  1.04           H  
ATOM    231  HA  GLU A  15       6.744 -25.664  -7.170  1.00  0.78           H  
ATOM    232  HB2 GLU A  15       5.392 -28.372  -6.955  1.00  1.27           H  
ATOM    233  HB3 GLU A  15       4.617 -26.875  -7.474  1.00  1.35           H  
ATOM    234  HG2 GLU A  15       5.926 -26.754  -9.452  1.00  2.28           H  
ATOM    235  HG3 GLU A  15       7.072 -27.958  -8.862  1.00  2.39           H  
ATOM    236  N   SER A  16       6.951 -26.591  -4.277  1.00  0.44           N  
ATOM    237  CA  SER A  16       6.525 -26.374  -2.865  1.00  0.38           C  
ATOM    238  C   SER A  16       5.705 -25.085  -2.776  1.00  0.31           C  
ATOM    239  O   SER A  16       4.559 -25.093  -2.372  1.00  0.38           O  
ATOM    240  CB  SER A  16       7.762 -26.255  -1.972  1.00  0.42           C  
ATOM    241  OG  SER A  16       8.338 -27.543  -1.795  1.00  1.21           O  
ATOM    242  H   SER A  16       7.863 -26.891  -4.474  1.00  0.65           H  
ATOM    243  HA  SER A  16       5.923 -27.209  -2.538  1.00  0.52           H  
ATOM    244  HB2 SER A  16       8.482 -25.605  -2.436  1.00  1.02           H  
ATOM    245  HB3 SER A  16       7.473 -25.844  -1.013  1.00  1.09           H  
ATOM    246  HG  SER A  16       9.102 -27.449  -1.221  1.00  1.62           H  
ATOM    247  N   CYS A  17       6.283 -23.977  -3.154  1.00  0.28           N  
ATOM    248  CA  CYS A  17       5.540 -22.687  -3.097  1.00  0.23           C  
ATOM    249  C   CYS A  17       4.370 -22.731  -4.081  1.00  0.22           C  
ATOM    250  O   CYS A  17       3.239 -22.464  -3.728  1.00  0.28           O  
ATOM    251  CB  CYS A  17       6.485 -21.546  -3.477  1.00  0.23           C  
ATOM    252  SG  CYS A  17       6.893 -21.486  -5.259  1.00  0.24           S  
ATOM    253  H   CYS A  17       7.208 -23.996  -3.478  1.00  0.34           H  
ATOM    254  HA  CYS A  17       5.166 -22.529  -2.096  1.00  0.27           H  
ATOM    255  HB2 CYS A  17       6.028 -20.600  -3.223  1.00  0.26           H  
ATOM    256  HB3 CYS A  17       7.414 -21.653  -2.938  1.00  0.24           H  
ATOM    257  N   VAL A  18       4.633 -23.068  -5.313  1.00  0.24           N  
ATOM    258  CA  VAL A  18       3.535 -23.130  -6.318  1.00  0.29           C  
ATOM    259  C   VAL A  18       2.303 -23.775  -5.682  1.00  0.29           C  
ATOM    260  O   VAL A  18       1.189 -23.330  -5.873  1.00  0.38           O  
ATOM    261  CB  VAL A  18       3.987 -23.965  -7.519  1.00  0.38           C  
ATOM    262  CG1 VAL A  18       2.804 -24.184  -8.463  1.00  0.85           C  
ATOM    263  CG2 VAL A  18       5.102 -23.226  -8.261  1.00  1.07           C  
ATOM    264  H   VAL A  18       5.552 -23.281  -5.578  1.00  0.29           H  
ATOM    265  HA  VAL A  18       3.289 -22.131  -6.646  1.00  0.32           H  
ATOM    266  HB  VAL A  18       4.353 -24.921  -7.174  1.00  0.84           H  
ATOM    267 HG11 VAL A  18       2.239 -23.267  -8.551  1.00  1.51           H  
ATOM    268 HG12 VAL A  18       3.169 -24.476  -9.437  1.00  1.36           H  
ATOM    269 HG13 VAL A  18       2.167 -24.962  -8.070  1.00  1.46           H  
ATOM    270 HG21 VAL A  18       4.752 -22.246  -8.551  1.00  1.62           H  
ATOM    271 HG22 VAL A  18       5.960 -23.125  -7.614  1.00  1.57           H  
ATOM    272 HG23 VAL A  18       5.378 -23.784  -9.144  1.00  1.67           H  
ATOM    273  N   GLU A  19       2.494 -24.819  -4.921  1.00  0.30           N  
ATOM    274  CA  GLU A  19       1.332 -25.486  -4.272  1.00  0.34           C  
ATOM    275  C   GLU A  19       0.729 -24.546  -3.229  1.00  0.32           C  
ATOM    276  O   GLU A  19      -0.451 -24.257  -3.248  1.00  0.35           O  
ATOM    277  CB  GLU A  19       1.796 -26.776  -3.591  1.00  0.39           C  
ATOM    278  CG  GLU A  19       1.317 -27.982  -4.401  1.00  0.71           C  
ATOM    279  CD  GLU A  19       0.362 -28.822  -3.549  1.00  1.39           C  
ATOM    280  OE1 GLU A  19       0.805 -29.349  -2.542  1.00  2.15           O  
ATOM    281  OE2 GLU A  19      -0.797 -28.924  -3.920  1.00  1.91           O  
ATOM    282  H   GLU A  19       3.401 -25.162  -4.777  1.00  0.37           H  
ATOM    283  HA  GLU A  19       0.587 -25.719  -5.017  1.00  0.36           H  
ATOM    284  HB2 GLU A  19       2.875 -26.786  -3.534  1.00  0.50           H  
ATOM    285  HB3 GLU A  19       1.383 -26.827  -2.594  1.00  0.48           H  
ATOM    286  HG2 GLU A  19       0.803 -27.639  -5.287  1.00  0.96           H  
ATOM    287  HG3 GLU A  19       2.165 -28.586  -4.686  1.00  1.07           H  
ATOM    288  N   ILE A  20       1.530 -24.059  -2.321  1.00  0.32           N  
ATOM    289  CA  ILE A  20       0.996 -23.131  -1.286  1.00  0.34           C  
ATOM    290  C   ILE A  20       0.487 -21.861  -1.969  1.00  0.35           C  
ATOM    291  O   ILE A  20       0.132 -20.896  -1.324  1.00  0.42           O  
ATOM    292  CB  ILE A  20       2.106 -22.769  -0.300  1.00  0.39           C  
ATOM    293  CG1 ILE A  20       2.423 -23.965   0.559  1.00  0.42           C  
ATOM    294  CG2 ILE A  20       1.660 -21.608   0.586  1.00  0.53           C  
ATOM    295  CD1 ILE A  20       3.817 -24.493   0.216  1.00  1.00           C  
ATOM    296  H   ILE A  20       2.479 -24.298  -2.324  1.00  0.32           H  
ATOM    297  HA  ILE A  20       0.186 -23.607  -0.756  1.00  0.37           H  
ATOM    298  HB  ILE A  20       2.982 -22.499  -0.830  1.00  0.41           H  
ATOM    299 HG12 ILE A  20       2.394 -23.667   1.584  1.00  0.86           H  
ATOM    300 HG13 ILE A  20       1.698 -24.726   0.374  1.00  0.71           H  
ATOM    301 HG21 ILE A  20       0.589 -21.645   0.716  1.00  1.19           H  
ATOM    302 HG22 ILE A  20       2.142 -21.685   1.550  1.00  1.18           H  
ATOM    303 HG23 ILE A  20       1.934 -20.673   0.120  1.00  1.06           H  
ATOM    304 HD11 ILE A  20       4.515 -23.669   0.179  1.00  1.67           H  
ATOM    305 HD12 ILE A  20       4.132 -25.197   0.972  1.00  1.40           H  
ATOM    306 HD13 ILE A  20       3.790 -24.985  -0.745  1.00  1.61           H  
ATOM    307  N   ALA A  21       0.450 -21.858  -3.274  1.00  0.31           N  
ATOM    308  CA  ALA A  21      -0.034 -20.653  -4.004  1.00  0.33           C  
ATOM    309  C   ALA A  21      -0.019 -20.929  -5.509  1.00  0.39           C  
ATOM    310  O   ALA A  21       0.737 -20.325  -6.244  1.00  0.43           O  
ATOM    311  CB  ALA A  21       0.881 -19.467  -3.694  1.00  0.37           C  
ATOM    312  H   ALA A  21       0.743 -22.650  -3.775  1.00  0.30           H  
ATOM    313  HA  ALA A  21      -1.041 -20.423  -3.689  1.00  0.37           H  
ATOM    314  HB1 ALA A  21       1.904 -19.733  -3.921  1.00  1.07           H  
ATOM    315  HB2 ALA A  21       0.588 -18.619  -4.294  1.00  1.06           H  
ATOM    316  HB3 ALA A  21       0.799 -19.213  -2.648  1.00  1.07           H  
ATOM    317  N   PRO A  22      -0.860 -21.840  -5.916  1.00  0.48           N  
ATOM    318  CA  PRO A  22      -0.951 -22.208  -7.353  1.00  0.63           C  
ATOM    319  C   PRO A  22      -1.653 -21.101  -8.145  1.00  0.67           C  
ATOM    320  O   PRO A  22      -2.345 -21.358  -9.110  1.00  1.33           O  
ATOM    321  CB  PRO A  22      -1.784 -23.489  -7.346  1.00  0.76           C  
ATOM    322  CG  PRO A  22      -2.591 -23.419  -6.086  1.00  0.72           C  
ATOM    323  CD  PRO A  22      -1.799 -22.604  -5.086  1.00  0.54           C  
ATOM    324  HA  PRO A  22       0.029 -22.405  -7.758  1.00  0.67           H  
ATOM    325  HB2 PRO A  22      -2.408 -23.512  -8.231  1.00  0.88           H  
ATOM    326  HB3 PRO A  22      -1.128 -24.343  -7.348  1.00  0.80           H  
ATOM    327  HG2 PRO A  22      -3.539 -22.941  -6.287  1.00  0.79           H  
ATOM    328  HG3 PRO A  22      -2.751 -24.413  -5.699  1.00  0.79           H  
ATOM    329  HD2 PRO A  22      -2.454 -21.943  -4.536  1.00  0.54           H  
ATOM    330  HD3 PRO A  22      -1.262 -23.252  -4.412  1.00  0.52           H  
ATOM    331  N   GLY A  23      -1.479 -19.871  -7.745  1.00  0.43           N  
ATOM    332  CA  GLY A  23      -2.135 -18.749  -8.474  1.00  0.45           C  
ATOM    333  C   GLY A  23      -1.159 -17.578  -8.589  1.00  0.42           C  
ATOM    334  O   GLY A  23      -1.149 -16.859  -9.569  1.00  0.52           O  
ATOM    335  H   GLY A  23      -0.916 -19.685  -6.965  1.00  0.87           H  
ATOM    336  HA2 GLY A  23      -2.421 -19.081  -9.462  1.00  0.48           H  
ATOM    337  HA3 GLY A  23      -3.012 -18.431  -7.932  1.00  0.48           H  
ATOM    338  N   ALA A  24      -0.336 -17.381  -7.596  1.00  0.39           N  
ATOM    339  CA  ALA A  24       0.641 -16.257  -7.647  1.00  0.40           C  
ATOM    340  C   ALA A  24       2.017 -16.795  -8.042  1.00  0.37           C  
ATOM    341  O   ALA A  24       2.706 -16.221  -8.863  1.00  0.45           O  
ATOM    342  CB  ALA A  24       0.728 -15.594  -6.272  1.00  0.44           C  
ATOM    343  H   ALA A  24      -0.360 -17.973  -6.814  1.00  0.44           H  
ATOM    344  HA  ALA A  24       0.315 -15.530  -8.377  1.00  0.43           H  
ATOM    345  HB1 ALA A  24      -0.256 -15.275  -5.962  1.00  1.24           H  
ATOM    346  HB2 ALA A  24       1.120 -16.301  -5.555  1.00  1.02           H  
ATOM    347  HB3 ALA A  24       1.383 -14.737  -6.326  1.00  0.98           H  
ATOM    348  N   PHE A  25       2.425 -17.892  -7.464  1.00  0.37           N  
ATOM    349  CA  PHE A  25       3.757 -18.463  -7.807  1.00  0.34           C  
ATOM    350  C   PHE A  25       3.593 -19.528  -8.893  1.00  0.34           C  
ATOM    351  O   PHE A  25       2.648 -20.292  -8.890  1.00  0.38           O  
ATOM    352  CB  PHE A  25       4.377 -19.099  -6.560  1.00  0.38           C  
ATOM    353  CG  PHE A  25       5.686 -18.417  -6.243  1.00  0.44           C  
ATOM    354  CD1 PHE A  25       6.723 -18.423  -7.184  1.00  1.30           C  
ATOM    355  CD2 PHE A  25       5.865 -17.780  -5.009  1.00  1.15           C  
ATOM    356  CE1 PHE A  25       7.938 -17.792  -6.891  1.00  1.40           C  
ATOM    357  CE2 PHE A  25       7.079 -17.149  -4.717  1.00  1.17           C  
ATOM    358  CZ  PHE A  25       8.116 -17.155  -5.657  1.00  0.72           C  
ATOM    359  H   PHE A  25       1.855 -18.339  -6.804  1.00  0.46           H  
ATOM    360  HA  PHE A  25       4.404 -17.677  -8.169  1.00  0.34           H  
ATOM    361  HB2 PHE A  25       3.700 -18.986  -5.724  1.00  0.37           H  
ATOM    362  HB3 PHE A  25       4.552 -20.148  -6.740  1.00  0.45           H  
ATOM    363  HD1 PHE A  25       6.586 -18.914  -8.136  1.00  2.10           H  
ATOM    364  HD2 PHE A  25       5.065 -17.775  -4.284  1.00  1.97           H  
ATOM    365  HE1 PHE A  25       8.738 -17.797  -7.617  1.00  2.24           H  
ATOM    366  HE2 PHE A  25       7.217 -16.658  -3.764  1.00  1.96           H  
ATOM    367  HZ  PHE A  25       9.053 -16.668  -5.432  1.00  0.85           H  
ATOM    368  N   ALA A  26       4.508 -19.584  -9.821  1.00  0.34           N  
ATOM    369  CA  ALA A  26       4.409 -20.598 -10.908  1.00  0.36           C  
ATOM    370  C   ALA A  26       5.667 -20.535 -11.777  1.00  0.34           C  
ATOM    371  O   ALA A  26       5.905 -19.567 -12.472  1.00  0.41           O  
ATOM    372  CB  ALA A  26       3.179 -20.304 -11.770  1.00  0.40           C  
ATOM    373  H   ALA A  26       5.261 -18.958  -9.803  1.00  0.36           H  
ATOM    374  HA  ALA A  26       4.319 -21.583 -10.475  1.00  0.41           H  
ATOM    375  HB1 ALA A  26       3.251 -19.304 -12.171  1.00  1.02           H  
ATOM    376  HB2 ALA A  26       3.130 -21.016 -12.581  1.00  1.10           H  
ATOM    377  HB3 ALA A  26       2.289 -20.385 -11.164  1.00  1.15           H  
ATOM    378  N   MET A  27       6.477 -21.558 -11.743  1.00  0.34           N  
ATOM    379  CA  MET A  27       7.718 -21.554 -12.566  1.00  0.34           C  
ATOM    380  C   MET A  27       7.351 -21.405 -14.043  1.00  0.37           C  
ATOM    381  O   MET A  27       6.313 -21.859 -14.482  1.00  0.43           O  
ATOM    382  CB  MET A  27       8.473 -22.870 -12.358  1.00  0.41           C  
ATOM    383  CG  MET A  27       7.487 -24.039 -12.416  1.00  1.29           C  
ATOM    384  SD  MET A  27       8.401 -25.588 -12.619  1.00  1.83           S  
ATOM    385  CE  MET A  27       7.303 -26.342 -13.844  1.00  2.42           C  
ATOM    386  H   MET A  27       6.267 -22.329 -11.175  1.00  0.41           H  
ATOM    387  HA  MET A  27       8.346 -20.728 -12.266  1.00  0.30           H  
ATOM    388  HB2 MET A  27       9.215 -22.984 -13.135  1.00  1.13           H  
ATOM    389  HB3 MET A  27       8.959 -22.858 -11.394  1.00  1.08           H  
ATOM    390  HG2 MET A  27       6.918 -24.074 -11.500  1.00  1.94           H  
ATOM    391  HG3 MET A  27       6.817 -23.904 -13.253  1.00  1.96           H  
ATOM    392  HE1 MET A  27       6.976 -25.586 -14.546  1.00  2.67           H  
ATOM    393  HE2 MET A  27       7.831 -27.117 -14.375  1.00  2.87           H  
ATOM    394  HE3 MET A  27       6.446 -26.770 -13.343  1.00  2.88           H  
ATOM    395  N   ASP A  28       8.193 -20.772 -14.815  1.00  0.36           N  
ATOM    396  CA  ASP A  28       7.890 -20.598 -16.261  1.00  0.44           C  
ATOM    397  C   ASP A  28       9.075 -21.107 -17.080  1.00  0.44           C  
ATOM    398  O   ASP A  28      10.084 -21.504 -16.526  1.00  0.38           O  
ATOM    399  CB  ASP A  28       7.664 -19.114 -16.555  1.00  0.48           C  
ATOM    400  CG  ASP A  28       7.018 -18.956 -17.932  1.00  0.61           C  
ATOM    401  OD1 ASP A  28       5.857 -19.308 -18.063  1.00  1.31           O  
ATOM    402  OD2 ASP A  28       7.694 -18.485 -18.832  1.00  1.18           O  
ATOM    403  H   ASP A  28       9.027 -20.413 -14.446  1.00  0.32           H  
ATOM    404  HA  ASP A  28       7.003 -21.158 -16.516  1.00  0.51           H  
ATOM    405  HB2 ASP A  28       7.014 -18.693 -15.801  1.00  0.46           H  
ATOM    406  HB3 ASP A  28       8.613 -18.597 -16.542  1.00  0.48           H  
ATOM    407  N   PRO A  29       8.912 -21.067 -18.377  1.00  0.52           N  
ATOM    408  CA  PRO A  29       9.979 -21.522 -19.294  1.00  0.57           C  
ATOM    409  C   PRO A  29      10.958 -20.375 -19.497  1.00  0.58           C  
ATOM    410  O   PRO A  29      12.140 -20.569 -19.701  1.00  0.62           O  
ATOM    411  CB  PRO A  29       9.230 -21.845 -20.585  1.00  0.68           C  
ATOM    412  CG  PRO A  29       7.983 -21.007 -20.542  1.00  0.69           C  
ATOM    413  CD  PRO A  29       7.738 -20.588 -19.104  1.00  0.60           C  
ATOM    414  HA  PRO A  29      10.475 -22.399 -18.911  1.00  0.56           H  
ATOM    415  HB2 PRO A  29       9.859 -21.596 -21.430  1.00  0.73           H  
ATOM    416  HB3 PRO A  29       8.998 -22.897 -20.609  1.00  0.72           H  
ATOM    417  HG2 PRO A  29       8.113 -20.133 -21.164  1.00  0.74           H  
ATOM    418  HG3 PRO A  29       7.145 -21.589 -20.897  1.00  0.75           H  
ATOM    419  HD2 PRO A  29       7.660 -19.511 -19.038  1.00  0.61           H  
ATOM    420  HD3 PRO A  29       6.849 -21.051 -18.723  1.00  0.61           H  
ATOM    421  N   GLU A  30      10.465 -19.174 -19.403  1.00  0.57           N  
ATOM    422  CA  GLU A  30      11.354 -17.990 -19.547  1.00  0.63           C  
ATOM    423  C   GLU A  30      12.192 -17.905 -18.276  1.00  0.56           C  
ATOM    424  O   GLU A  30      13.372 -17.619 -18.303  1.00  0.60           O  
ATOM    425  CB  GLU A  30      10.512 -16.721 -19.701  1.00  0.72           C  
ATOM    426  CG  GLU A  30      11.188 -15.777 -20.699  1.00  0.99           C  
ATOM    427  CD  GLU A  30      10.408 -14.464 -20.769  1.00  1.84           C  
ATOM    428  OE1 GLU A  30       9.333 -14.465 -21.348  1.00  2.60           O  
ATOM    429  OE2 GLU A  30      10.897 -13.479 -20.242  1.00  2.45           O  
ATOM    430  H   GLU A  30       9.508 -19.055 -19.207  1.00  0.56           H  
ATOM    431  HA  GLU A  30      11.999 -18.116 -20.405  1.00  0.69           H  
ATOM    432  HB2 GLU A  30       9.529 -16.984 -20.062  1.00  0.89           H  
ATOM    433  HB3 GLU A  30      10.425 -16.227 -18.745  1.00  0.79           H  
ATOM    434  HG2 GLU A  30      12.200 -15.579 -20.378  1.00  1.33           H  
ATOM    435  HG3 GLU A  30      11.202 -16.237 -21.676  1.00  1.54           H  
ATOM    436  N   ILE A  31      11.576 -18.194 -17.165  1.00  0.49           N  
ATOM    437  CA  ILE A  31      12.300 -18.186 -15.870  1.00  0.44           C  
ATOM    438  C   ILE A  31      12.370 -19.628 -15.377  1.00  0.35           C  
ATOM    439  O   ILE A  31      12.656 -19.898 -14.228  1.00  0.32           O  
ATOM    440  CB  ILE A  31      11.541 -17.328 -14.857  1.00  0.47           C  
ATOM    441  CG1 ILE A  31      10.037 -17.571 -15.008  1.00  0.69           C  
ATOM    442  CG2 ILE A  31      11.845 -15.850 -15.110  1.00  0.90           C  
ATOM    443  CD1 ILE A  31       9.279 -16.742 -13.971  1.00  1.23           C  
ATOM    444  H   ILE A  31      10.630 -18.447 -17.189  1.00  0.48           H  
ATOM    445  HA  ILE A  31      13.295 -17.801 -16.009  1.00  0.51           H  
ATOM    446  HB  ILE A  31      11.853 -17.592 -13.856  1.00  0.70           H  
ATOM    447 HG12 ILE A  31       9.725 -17.282 -16.001  1.00  0.95           H  
ATOM    448 HG13 ILE A  31       9.825 -18.618 -14.854  1.00  1.24           H  
ATOM    449 HG21 ILE A  31      12.874 -15.743 -15.421  1.00  1.40           H  
ATOM    450 HG22 ILE A  31      11.194 -15.477 -15.887  1.00  1.45           H  
ATOM    451 HG23 ILE A  31      11.682 -15.288 -14.204  1.00  1.42           H  
ATOM    452 HD11 ILE A  31       9.948 -16.019 -13.529  1.00  1.72           H  
ATOM    453 HD12 ILE A  31       8.460 -16.227 -14.451  1.00  1.85           H  
ATOM    454 HD13 ILE A  31       8.894 -17.393 -13.201  1.00  1.67           H  
ATOM    455  N   GLU A  32      12.094 -20.556 -16.256  1.00  0.36           N  
ATOM    456  CA  GLU A  32      12.123 -21.992 -15.872  1.00  0.36           C  
ATOM    457  C   GLU A  32      12.133 -22.103 -14.350  1.00  0.31           C  
ATOM    458  O   GLU A  32      12.864 -22.883 -13.774  1.00  0.35           O  
ATOM    459  CB  GLU A  32      13.374 -22.657 -16.448  1.00  0.45           C  
ATOM    460  CG  GLU A  32      13.176 -22.909 -17.944  1.00  0.68           C  
ATOM    461  CD  GLU A  32      14.418 -23.596 -18.516  1.00  1.31           C  
ATOM    462  OE1 GLU A  32      14.757 -24.662 -18.030  1.00  2.02           O  
ATOM    463  OE2 GLU A  32      15.007 -23.043 -19.430  1.00  1.91           O  
ATOM    464  H   GLU A  32      11.859 -20.304 -17.173  1.00  0.42           H  
ATOM    465  HA  GLU A  32      11.239 -22.477 -16.262  1.00  0.39           H  
ATOM    466  HB2 GLU A  32      14.226 -22.009 -16.300  1.00  0.50           H  
ATOM    467  HB3 GLU A  32      13.545 -23.598 -15.946  1.00  0.61           H  
ATOM    468  HG2 GLU A  32      12.313 -23.542 -18.091  1.00  1.08           H  
ATOM    469  HG3 GLU A  32      13.023 -21.967 -18.450  1.00  1.06           H  
ATOM    470  N   LYS A  33      11.324 -21.319 -13.699  1.00  0.26           N  
ATOM    471  CA  LYS A  33      11.275 -21.364 -12.210  1.00  0.27           C  
ATOM    472  C   LYS A  33       9.958 -20.757 -11.723  1.00  0.26           C  
ATOM    473  O   LYS A  33       9.225 -20.152 -12.479  1.00  0.24           O  
ATOM    474  CB  LYS A  33      12.447 -20.566 -11.636  1.00  0.30           C  
ATOM    475  CG  LYS A  33      13.643 -21.496 -11.425  1.00  0.49           C  
ATOM    476  CD  LYS A  33      14.900 -20.858 -12.022  1.00  0.82           C  
ATOM    477  CE  LYS A  33      15.933 -21.945 -12.321  1.00  1.15           C  
ATOM    478  NZ  LYS A  33      17.303 -21.362 -12.252  1.00  1.68           N  
ATOM    479  H   LYS A  33      10.748 -20.700 -14.193  1.00  0.27           H  
ATOM    480  HA  LYS A  33      11.342 -22.390 -11.878  1.00  0.31           H  
ATOM    481  HB2 LYS A  33      12.718 -19.780 -12.327  1.00  0.43           H  
ATOM    482  HB3 LYS A  33      12.160 -20.132 -10.691  1.00  0.33           H  
ATOM    483  HG2 LYS A  33      13.790 -21.659 -10.367  1.00  0.92           H  
ATOM    484  HG3 LYS A  33      13.456 -22.441 -11.912  1.00  1.08           H  
ATOM    485  HD2 LYS A  33      14.642 -20.343 -12.936  1.00  1.49           H  
ATOM    486  HD3 LYS A  33      15.316 -20.154 -11.316  1.00  1.40           H  
ATOM    487  HE2 LYS A  33      15.843 -22.737 -11.592  1.00  1.69           H  
ATOM    488  HE3 LYS A  33      15.760 -22.344 -13.309  1.00  1.73           H  
ATOM    489  HZ1 LYS A  33      17.255 -20.343 -12.456  1.00  2.07           H  
ATOM    490  HZ2 LYS A  33      17.695 -21.507 -11.300  1.00  2.17           H  
ATOM    491  HZ3 LYS A  33      17.915 -21.829 -12.951  1.00  2.16           H  
ATOM    492  N   ALA A  34       9.651 -20.915 -10.464  1.00  0.32           N  
ATOM    493  CA  ALA A  34       8.381 -20.349  -9.928  1.00  0.35           C  
ATOM    494  C   ALA A  34       8.534 -18.838  -9.736  1.00  0.34           C  
ATOM    495  O   ALA A  34       9.513 -18.367  -9.193  1.00  0.43           O  
ATOM    496  CB  ALA A  34       8.058 -21.004  -8.584  1.00  0.47           C  
ATOM    497  H   ALA A  34      10.256 -21.407  -9.871  1.00  0.37           H  
ATOM    498  HA  ALA A  34       7.579 -20.544 -10.624  1.00  0.34           H  
ATOM    499  HB1 ALA A  34       8.419 -22.022  -8.583  1.00  1.30           H  
ATOM    500  HB2 ALA A  34       8.539 -20.452  -7.789  1.00  0.93           H  
ATOM    501  HB3 ALA A  34       6.989 -21.000  -8.428  1.00  1.10           H  
ATOM    502  N   TYR A  35       7.569 -18.076 -10.177  1.00  0.33           N  
ATOM    503  CA  TYR A  35       7.655 -16.597 -10.020  1.00  0.38           C  
ATOM    504  C   TYR A  35       6.311 -16.058  -9.529  1.00  0.36           C  
ATOM    505  O   TYR A  35       5.262 -16.477  -9.978  1.00  0.40           O  
ATOM    506  CB  TYR A  35       7.997 -15.960 -11.369  1.00  0.43           C  
ATOM    507  CG  TYR A  35       6.808 -16.066 -12.293  1.00  0.40           C  
ATOM    508  CD1 TYR A  35       6.003 -17.213 -12.271  1.00  1.24           C  
ATOM    509  CD2 TYR A  35       6.508 -15.018 -13.172  1.00  1.30           C  
ATOM    510  CE1 TYR A  35       4.901 -17.311 -13.128  1.00  1.24           C  
ATOM    511  CE2 TYR A  35       5.405 -15.116 -14.028  1.00  1.33           C  
ATOM    512  CZ  TYR A  35       4.602 -16.263 -14.007  1.00  0.48           C  
ATOM    513  OH  TYR A  35       3.515 -16.360 -14.851  1.00  0.57           O  
ATOM    514  H   TYR A  35       6.789 -18.478 -10.611  1.00  0.34           H  
ATOM    515  HA  TYR A  35       8.425 -16.355  -9.301  1.00  0.44           H  
ATOM    516  HB2 TYR A  35       8.248 -14.920 -11.221  1.00  0.52           H  
ATOM    517  HB3 TYR A  35       8.839 -16.475 -11.807  1.00  0.45           H  
ATOM    518  HD1 TYR A  35       6.234 -18.021 -11.594  1.00  2.14           H  
ATOM    519  HD2 TYR A  35       7.128 -14.134 -13.189  1.00  2.20           H  
ATOM    520  HE1 TYR A  35       4.282 -18.195 -13.111  1.00  2.14           H  
ATOM    521  HE2 TYR A  35       5.174 -14.309 -14.707  1.00  2.23           H  
ATOM    522  HH  TYR A  35       3.841 -16.382 -15.754  1.00  1.03           H  
ATOM    523  N   VAL A  36       6.331 -15.132  -8.610  1.00  0.51           N  
ATOM    524  CA  VAL A  36       5.053 -14.568  -8.094  1.00  0.49           C  
ATOM    525  C   VAL A  36       4.482 -13.585  -9.117  1.00  0.56           C  
ATOM    526  O   VAL A  36       4.594 -12.384  -8.970  1.00  0.83           O  
ATOM    527  CB  VAL A  36       5.312 -13.839  -6.774  1.00  0.76           C  
ATOM    528  CG1 VAL A  36       5.358 -12.330  -7.022  1.00  0.95           C  
ATOM    529  CG2 VAL A  36       4.186 -14.157  -5.787  1.00  1.61           C  
ATOM    530  H   VAL A  36       7.187 -14.806  -8.261  1.00  0.69           H  
ATOM    531  HA  VAL A  36       4.346 -15.368  -7.930  1.00  0.42           H  
ATOM    532  HB  VAL A  36       6.257 -14.165  -6.363  1.00  1.21           H  
ATOM    533 HG11 VAL A  36       6.118 -12.110  -7.757  1.00  1.60           H  
ATOM    534 HG12 VAL A  36       4.398 -11.995  -7.387  1.00  1.31           H  
ATOM    535 HG13 VAL A  36       5.590 -11.820  -6.100  1.00  1.58           H  
ATOM    536 HG21 VAL A  36       4.089 -15.229  -5.686  1.00  2.17           H  
ATOM    537 HG22 VAL A  36       4.417 -13.724  -4.825  1.00  2.08           H  
ATOM    538 HG23 VAL A  36       3.259 -13.745  -6.155  1.00  2.07           H  
ATOM    539  N   LYS A  37       3.871 -14.085 -10.156  1.00  0.61           N  
ATOM    540  CA  LYS A  37       3.296 -13.179 -11.190  1.00  0.91           C  
ATOM    541  C   LYS A  37       1.919 -12.690 -10.734  1.00  0.68           C  
ATOM    542  O   LYS A  37       1.535 -11.565 -10.985  1.00  1.01           O  
ATOM    543  CB  LYS A  37       3.155 -13.937 -12.512  1.00  1.22           C  
ATOM    544  CG  LYS A  37       2.214 -15.127 -12.321  1.00  1.19           C  
ATOM    545  CD  LYS A  37       1.081 -15.053 -13.347  1.00  1.78           C  
ATOM    546  CE  LYS A  37       0.317 -16.378 -13.360  1.00  2.11           C  
ATOM    547  NZ  LYS A  37      -0.704 -16.352 -14.446  1.00  2.36           N  
ATOM    548  H   LYS A  37       3.792 -15.057 -10.257  1.00  0.63           H  
ATOM    549  HA  LYS A  37       3.950 -12.331 -11.329  1.00  1.23           H  
ATOM    550  HB2 LYS A  37       2.752 -13.275 -13.265  1.00  1.60           H  
ATOM    551  HB3 LYS A  37       4.124 -14.293 -12.827  1.00  1.59           H  
ATOM    552  HG2 LYS A  37       2.764 -16.047 -12.457  1.00  1.29           H  
ATOM    553  HG3 LYS A  37       1.797 -15.101 -11.325  1.00  1.31           H  
ATOM    554  HD2 LYS A  37       0.408 -14.251 -13.082  1.00  2.11           H  
ATOM    555  HD3 LYS A  37       1.494 -14.869 -14.327  1.00  2.30           H  
ATOM    556  HE2 LYS A  37       1.007 -17.191 -13.534  1.00  2.51           H  
ATOM    557  HE3 LYS A  37      -0.174 -16.519 -12.409  1.00  2.62           H  
ATOM    558  HZ1 LYS A  37      -0.346 -15.788 -15.244  1.00  2.60           H  
ATOM    559  HZ2 LYS A  37      -0.895 -17.322 -14.765  1.00  2.80           H  
ATOM    560  HZ3 LYS A  37      -1.582 -15.928 -14.088  1.00  2.68           H  
ATOM    561  N   ASP A  38       1.174 -13.526 -10.064  1.00  0.41           N  
ATOM    562  CA  ASP A  38      -0.176 -13.109  -9.595  1.00  0.55           C  
ATOM    563  C   ASP A  38      -0.171 -12.984  -8.069  1.00  0.59           C  
ATOM    564  O   ASP A  38      -0.294 -13.960  -7.357  1.00  0.73           O  
ATOM    565  CB  ASP A  38      -1.209 -14.156 -10.019  1.00  0.64           C  
ATOM    566  CG  ASP A  38      -2.598 -13.726  -9.546  1.00  0.88           C  
ATOM    567  OD1 ASP A  38      -2.789 -12.541  -9.330  1.00  1.72           O  
ATOM    568  OD2 ASP A  38      -3.449 -14.590  -9.408  1.00  1.10           O  
ATOM    569  H   ASP A  38       1.502 -14.430  -9.872  1.00  0.54           H  
ATOM    570  HA  ASP A  38      -0.431 -12.155 -10.033  1.00  0.73           H  
ATOM    571  HB2 ASP A  38      -1.205 -14.248 -11.096  1.00  0.69           H  
ATOM    572  HB3 ASP A  38      -0.958 -15.108  -9.576  1.00  0.60           H  
ATOM    573  N   VAL A  39      -0.030 -11.790  -7.564  1.00  0.62           N  
ATOM    574  CA  VAL A  39      -0.016 -11.603  -6.085  1.00  0.72           C  
ATOM    575  C   VAL A  39      -1.395 -11.940  -5.513  1.00  0.70           C  
ATOM    576  O   VAL A  39      -1.530 -12.284  -4.356  1.00  0.83           O  
ATOM    577  CB  VAL A  39       0.329 -10.148  -5.758  1.00  0.85           C  
ATOM    578  CG1 VAL A  39       1.754  -9.843  -6.226  1.00  1.01           C  
ATOM    579  CG2 VAL A  39      -0.653  -9.218  -6.476  1.00  1.13           C  
ATOM    580  H   VAL A  39       0.067 -11.015  -8.156  1.00  0.68           H  
ATOM    581  HA  VAL A  39       0.724 -12.255  -5.647  1.00  0.79           H  
ATOM    582  HB  VAL A  39       0.260  -9.993  -4.691  1.00  1.12           H  
ATOM    583 HG11 VAL A  39       2.248 -10.764  -6.498  1.00  1.53           H  
ATOM    584 HG12 VAL A  39       1.718  -9.186  -7.082  1.00  1.49           H  
ATOM    585 HG13 VAL A  39       2.300  -9.364  -5.427  1.00  1.44           H  
ATOM    586 HG21 VAL A  39      -1.618  -9.697  -6.543  1.00  1.64           H  
ATOM    587 HG22 VAL A  39      -0.745  -8.296  -5.923  1.00  1.45           H  
ATOM    588 HG23 VAL A  39      -0.286  -9.008  -7.470  1.00  1.71           H  
ATOM    589  N   GLU A  40      -2.421 -11.844  -6.316  1.00  0.65           N  
ATOM    590  CA  GLU A  40      -3.789 -12.158  -5.816  1.00  0.71           C  
ATOM    591  C   GLU A  40      -4.018 -13.671  -5.866  1.00  0.67           C  
ATOM    592  O   GLU A  40      -4.947 -14.187  -5.277  1.00  0.72           O  
ATOM    593  CB  GLU A  40      -4.826 -11.458  -6.697  1.00  0.86           C  
ATOM    594  CG  GLU A  40      -4.976 -10.002  -6.253  1.00  1.14           C  
ATOM    595  CD  GLU A  40      -5.989  -9.294  -7.155  1.00  1.76           C  
ATOM    596  OE1 GLU A  40      -7.160  -9.629  -7.072  1.00  2.22           O  
ATOM    597  OE2 GLU A  40      -5.578  -8.431  -7.912  1.00  2.48           O  
ATOM    598  H   GLU A  40      -2.290 -11.565  -7.245  1.00  0.65           H  
ATOM    599  HA  GLU A  40      -3.889 -11.812  -4.798  1.00  0.77           H  
ATOM    600  HB2 GLU A  40      -4.503 -11.491  -7.728  1.00  1.01           H  
ATOM    601  HB3 GLU A  40      -5.778 -11.960  -6.602  1.00  1.03           H  
ATOM    602  HG2 GLU A  40      -5.319  -9.972  -5.229  1.00  1.44           H  
ATOM    603  HG3 GLU A  40      -4.021  -9.503  -6.328  1.00  1.52           H  
ATOM    604  N   GLY A  41      -3.179 -14.384  -6.565  1.00  0.62           N  
ATOM    605  CA  GLY A  41      -3.350 -15.863  -6.653  1.00  0.62           C  
ATOM    606  C   GLY A  41      -3.015 -16.501  -5.303  1.00  0.57           C  
ATOM    607  O   GLY A  41      -3.439 -17.599  -5.003  1.00  0.76           O  
ATOM    608  H   GLY A  41      -2.436 -13.950  -7.034  1.00  0.64           H  
ATOM    609  HA2 GLY A  41      -4.373 -16.090  -6.915  1.00  0.71           H  
ATOM    610  HA3 GLY A  41      -2.688 -16.258  -7.408  1.00  0.66           H  
ATOM    611  N   ALA A  42      -2.254 -15.823  -4.487  1.00  0.52           N  
ATOM    612  CA  ALA A  42      -1.893 -16.394  -3.159  1.00  0.53           C  
ATOM    613  C   ALA A  42      -2.153 -15.355  -2.066  1.00  0.51           C  
ATOM    614  O   ALA A  42      -1.603 -14.272  -2.083  1.00  0.62           O  
ATOM    615  CB  ALA A  42      -0.412 -16.779  -3.156  1.00  0.62           C  
ATOM    616  H   ALA A  42      -1.921 -14.939  -4.747  1.00  0.63           H  
ATOM    617  HA  ALA A  42      -2.493 -17.273  -2.971  1.00  0.61           H  
ATOM    618  HB1 ALA A  42      -0.015 -16.689  -4.156  1.00  1.38           H  
ATOM    619  HB2 ALA A  42       0.129 -16.121  -2.493  1.00  1.10           H  
ATOM    620  HB3 ALA A  42      -0.307 -17.799  -2.816  1.00  1.07           H  
ATOM    621  N   SER A  43      -2.984 -15.679  -1.114  1.00  0.48           N  
ATOM    622  CA  SER A  43      -3.279 -14.711  -0.020  1.00  0.50           C  
ATOM    623  C   SER A  43      -2.059 -14.592   0.897  1.00  0.51           C  
ATOM    624  O   SER A  43      -1.189 -15.440   0.902  1.00  0.56           O  
ATOM    625  CB  SER A  43      -4.478 -15.206   0.789  1.00  0.54           C  
ATOM    626  OG  SER A  43      -5.005 -16.376   0.179  1.00  0.78           O  
ATOM    627  H   SER A  43      -3.416 -16.558  -1.118  1.00  0.52           H  
ATOM    628  HA  SER A  43      -3.505 -13.744  -0.445  1.00  0.55           H  
ATOM    629  HB2 SER A  43      -4.165 -15.440   1.794  1.00  0.58           H  
ATOM    630  HB3 SER A  43      -5.233 -14.432   0.821  1.00  0.67           H  
ATOM    631  HG  SER A  43      -5.902 -16.499   0.497  1.00  1.02           H  
ATOM    632  N   GLN A  44      -1.988 -13.547   1.673  1.00  0.55           N  
ATOM    633  CA  GLN A  44      -0.823 -13.378   2.586  1.00  0.60           C  
ATOM    634  C   GLN A  44      -0.590 -14.676   3.360  1.00  0.56           C  
ATOM    635  O   GLN A  44       0.527 -15.132   3.501  1.00  0.60           O  
ATOM    636  CB  GLN A  44      -1.103 -12.239   3.568  1.00  0.72           C  
ATOM    637  CG  GLN A  44      -1.070 -10.903   2.824  1.00  1.63           C  
ATOM    638  CD  GLN A  44      -1.919  -9.877   3.577  1.00  2.02           C  
ATOM    639  OE1 GLN A  44      -3.079 -10.114   3.848  1.00  2.53           O  
ATOM    640  NE2 GLN A  44      -1.387  -8.739   3.928  1.00  2.52           N  
ATOM    641  H   GLN A  44      -2.700 -12.873   1.656  1.00  0.60           H  
ATOM    642  HA  GLN A  44       0.057 -13.145   2.005  1.00  0.62           H  
ATOM    643  HB2 GLN A  44      -2.078 -12.380   4.014  1.00  1.09           H  
ATOM    644  HB3 GLN A  44      -0.350 -12.237   4.341  1.00  1.26           H  
ATOM    645  HG2 GLN A  44      -0.049 -10.551   2.762  1.00  2.23           H  
ATOM    646  HG3 GLN A  44      -1.466 -11.035   1.829  1.00  2.22           H  
ATOM    647 HE21 GLN A  44      -0.451  -8.548   3.709  1.00  2.82           H  
ATOM    648 HE22 GLN A  44      -1.922  -8.075   4.410  1.00  2.95           H  
ATOM    649  N   GLU A  45      -1.634 -15.279   3.861  1.00  0.56           N  
ATOM    650  CA  GLU A  45      -1.463 -16.548   4.622  1.00  0.59           C  
ATOM    651  C   GLU A  45      -0.932 -17.630   3.680  1.00  0.51           C  
ATOM    652  O   GLU A  45      -0.075 -18.414   4.039  1.00  0.56           O  
ATOM    653  CB  GLU A  45      -2.809 -16.989   5.198  1.00  0.69           C  
ATOM    654  CG  GLU A  45      -3.247 -16.002   6.281  1.00  0.79           C  
ATOM    655  CD  GLU A  45      -2.320 -16.127   7.492  1.00  1.07           C  
ATOM    656  OE1 GLU A  45      -2.244 -17.212   8.045  1.00  1.65           O  
ATOM    657  OE2 GLU A  45      -1.703 -15.135   7.844  1.00  1.62           O  
ATOM    658  H   GLU A  45      -2.529 -14.898   3.736  1.00  0.61           H  
ATOM    659  HA  GLU A  45      -0.758 -16.394   5.427  1.00  0.64           H  
ATOM    660  HB2 GLU A  45      -3.547 -17.013   4.409  1.00  0.75           H  
ATOM    661  HB3 GLU A  45      -2.709 -17.974   5.629  1.00  0.71           H  
ATOM    662  HG2 GLU A  45      -3.199 -14.995   5.891  1.00  0.85           H  
ATOM    663  HG3 GLU A  45      -4.261 -16.224   6.582  1.00  0.91           H  
ATOM    664  N   GLU A  46      -1.429 -17.675   2.475  1.00  0.49           N  
ATOM    665  CA  GLU A  46      -0.947 -18.701   1.509  1.00  0.49           C  
ATOM    666  C   GLU A  46       0.423 -18.278   0.977  1.00  0.47           C  
ATOM    667  O   GLU A  46       1.426 -18.906   1.253  1.00  0.49           O  
ATOM    668  CB  GLU A  46      -1.934 -18.816   0.346  1.00  0.60           C  
ATOM    669  CG  GLU A  46      -3.355 -18.962   0.896  1.00  0.87           C  
ATOM    670  CD  GLU A  46      -4.291 -19.432  -0.220  1.00  0.90           C  
ATOM    671  OE1 GLU A  46      -3.824 -19.571  -1.339  1.00  1.25           O  
ATOM    672  OE2 GLU A  46      -5.457 -19.648   0.064  1.00  1.52           O  
ATOM    673  H   GLU A  46      -2.115 -17.030   2.204  1.00  0.54           H  
ATOM    674  HA  GLU A  46      -0.862 -19.655   2.008  1.00  0.52           H  
ATOM    675  HB2 GLU A  46      -1.874 -17.928  -0.267  1.00  1.16           H  
ATOM    676  HB3 GLU A  46      -1.691 -19.683  -0.250  1.00  1.09           H  
ATOM    677  HG2 GLU A  46      -3.357 -19.686   1.698  1.00  1.31           H  
ATOM    678  HG3 GLU A  46      -3.695 -18.008   1.270  1.00  1.37           H  
ATOM    679  N   VAL A  47       0.475 -17.215   0.223  1.00  0.49           N  
ATOM    680  CA  VAL A  47       1.785 -16.754  -0.315  1.00  0.56           C  
ATOM    681  C   VAL A  47       2.847 -16.883   0.777  1.00  0.54           C  
ATOM    682  O   VAL A  47       3.946 -17.346   0.539  1.00  0.60           O  
ATOM    683  CB  VAL A  47       1.674 -15.291  -0.749  1.00  0.65           C  
ATOM    684  CG1 VAL A  47       2.769 -14.471  -0.066  1.00  0.67           C  
ATOM    685  CG2 VAL A  47       1.840 -15.194  -2.267  1.00  0.84           C  
ATOM    686  H   VAL A  47      -0.342 -16.720   0.014  1.00  0.52           H  
ATOM    687  HA  VAL A  47       2.062 -17.363  -1.164  1.00  0.60           H  
ATOM    688  HB  VAL A  47       0.706 -14.905  -0.465  1.00  0.78           H  
ATOM    689 HG11 VAL A  47       3.730 -14.928  -0.251  1.00  1.24           H  
ATOM    690 HG12 VAL A  47       2.767 -13.466  -0.461  1.00  1.29           H  
ATOM    691 HG13 VAL A  47       2.585 -14.440   0.997  1.00  1.04           H  
ATOM    692 HG21 VAL A  47       2.529 -15.956  -2.603  1.00  1.31           H  
ATOM    693 HG22 VAL A  47       0.882 -15.339  -2.744  1.00  1.27           H  
ATOM    694 HG23 VAL A  47       2.228 -14.220  -2.526  1.00  1.41           H  
ATOM    695  N   GLU A  48       2.526 -16.480   1.977  1.00  0.53           N  
ATOM    696  CA  GLU A  48       3.484 -16.570   3.085  1.00  0.57           C  
ATOM    697  C   GLU A  48       3.832 -18.037   3.353  1.00  0.52           C  
ATOM    698  O   GLU A  48       4.961 -18.455   3.194  1.00  0.59           O  
ATOM    699  CB  GLU A  48       2.803 -15.965   4.298  1.00  0.63           C  
ATOM    700  CG  GLU A  48       3.617 -14.781   4.799  1.00  0.97           C  
ATOM    701  CD  GLU A  48       3.670 -14.801   6.327  1.00  1.11           C  
ATOM    702  OE1 GLU A  48       2.981 -15.618   6.915  1.00  1.52           O  
ATOM    703  OE2 GLU A  48       4.401 -13.999   6.885  1.00  1.63           O  
ATOM    704  H   GLU A  48       1.642 -16.111   2.160  1.00  0.55           H  
ATOM    705  HA  GLU A  48       4.378 -16.013   2.851  1.00  0.65           H  
ATOM    706  HB2 GLU A  48       1.815 -15.626   4.016  1.00  0.97           H  
ATOM    707  HB3 GLU A  48       2.715 -16.704   5.061  1.00  1.14           H  
ATOM    708  HG2 GLU A  48       4.616 -14.843   4.397  1.00  1.39           H  
ATOM    709  HG3 GLU A  48       3.149 -13.868   4.465  1.00  1.31           H  
ATOM    710  N   GLU A  49       2.870 -18.821   3.759  1.00  0.47           N  
ATOM    711  CA  GLU A  49       3.149 -20.258   4.035  1.00  0.48           C  
ATOM    712  C   GLU A  49       4.061 -20.820   2.942  1.00  0.45           C  
ATOM    713  O   GLU A  49       5.039 -21.485   3.217  1.00  0.57           O  
ATOM    714  CB  GLU A  49       1.834 -21.041   4.055  1.00  0.55           C  
ATOM    715  CG  GLU A  49       1.386 -21.249   5.503  1.00  1.00           C  
ATOM    716  CD  GLU A  49       0.439 -22.448   5.577  1.00  1.36           C  
ATOM    717  OE1 GLU A  49      -0.342 -22.620   4.656  1.00  2.05           O  
ATOM    718  OE2 GLU A  49       0.512 -23.175   6.554  1.00  1.97           O  
ATOM    719  H   GLU A  49       1.964 -18.465   3.882  1.00  0.48           H  
ATOM    720  HA  GLU A  49       3.639 -20.352   4.993  1.00  0.58           H  
ATOM    721  HB2 GLU A  49       1.078 -20.486   3.519  1.00  0.94           H  
ATOM    722  HB3 GLU A  49       1.979 -22.001   3.584  1.00  1.01           H  
ATOM    723  HG2 GLU A  49       2.250 -21.432   6.124  1.00  1.62           H  
ATOM    724  HG3 GLU A  49       0.873 -20.365   5.851  1.00  1.74           H  
ATOM    725  N   ALA A  50       3.748 -20.558   1.702  1.00  0.42           N  
ATOM    726  CA  ALA A  50       4.596 -21.077   0.592  1.00  0.53           C  
ATOM    727  C   ALA A  50       6.014 -20.516   0.731  1.00  0.65           C  
ATOM    728  O   ALA A  50       6.989 -21.215   0.537  1.00  0.82           O  
ATOM    729  CB  ALA A  50       4.006 -20.639  -0.750  1.00  0.65           C  
ATOM    730  H   ALA A  50       2.954 -20.019   1.501  1.00  0.45           H  
ATOM    731  HA  ALA A  50       4.628 -22.156   0.637  1.00  0.51           H  
ATOM    732  HB1 ALA A  50       3.390 -19.764  -0.603  1.00  1.26           H  
ATOM    733  HB2 ALA A  50       4.806 -20.404  -1.436  1.00  1.23           H  
ATOM    734  HB3 ALA A  50       3.405 -21.438  -1.157  1.00  1.07           H  
ATOM    735  N   MET A  51       6.134 -19.260   1.063  1.00  0.65           N  
ATOM    736  CA  MET A  51       7.487 -18.654   1.211  1.00  0.82           C  
ATOM    737  C   MET A  51       8.277 -19.418   2.277  1.00  0.78           C  
ATOM    738  O   MET A  51       9.454 -19.674   2.125  1.00  0.93           O  
ATOM    739  CB  MET A  51       7.345 -17.190   1.634  1.00  1.00           C  
ATOM    740  CG  MET A  51       8.721 -16.627   1.995  1.00  1.45           C  
ATOM    741  SD  MET A  51       8.537 -14.932   2.604  1.00  2.33           S  
ATOM    742  CE  MET A  51       8.201 -14.151   1.007  1.00  1.54           C  
ATOM    743  H   MET A  51       5.334 -18.715   1.213  1.00  0.62           H  
ATOM    744  HA  MET A  51       8.011 -18.707   0.269  1.00  0.89           H  
ATOM    745  HB2 MET A  51       6.924 -16.619   0.818  1.00  1.01           H  
ATOM    746  HB3 MET A  51       6.695 -17.125   2.493  1.00  1.12           H  
ATOM    747  HG2 MET A  51       9.170 -17.239   2.763  1.00  1.72           H  
ATOM    748  HG3 MET A  51       9.352 -16.628   1.120  1.00  1.43           H  
ATOM    749  HE1 MET A  51       8.362 -14.868   0.215  1.00  1.55           H  
ATOM    750  HE2 MET A  51       7.176 -13.806   0.984  1.00  1.86           H  
ATOM    751  HE3 MET A  51       8.862 -13.311   0.868  1.00  1.87           H  
ATOM    752  N   ASP A  52       7.639 -19.783   3.355  1.00  0.71           N  
ATOM    753  CA  ASP A  52       8.355 -20.529   4.427  1.00  0.77           C  
ATOM    754  C   ASP A  52       8.606 -21.969   3.970  1.00  0.67           C  
ATOM    755  O   ASP A  52       9.375 -22.694   4.567  1.00  0.86           O  
ATOM    756  CB  ASP A  52       7.505 -20.539   5.699  1.00  0.83           C  
ATOM    757  CG  ASP A  52       8.419 -20.557   6.926  1.00  1.19           C  
ATOM    758  OD1 ASP A  52       9.415 -19.852   6.907  1.00  1.74           O  
ATOM    759  OD2 ASP A  52       8.108 -21.274   7.862  1.00  1.66           O  
ATOM    760  H   ASP A  52       6.688 -19.567   3.460  1.00  0.71           H  
ATOM    761  HA  ASP A  52       9.301 -20.048   4.630  1.00  0.95           H  
ATOM    762  HB2 ASP A  52       6.885 -19.655   5.724  1.00  0.93           H  
ATOM    763  HB3 ASP A  52       6.879 -21.419   5.707  1.00  0.80           H  
ATOM    764  N   THR A  53       7.961 -22.387   2.915  1.00  0.47           N  
ATOM    765  CA  THR A  53       8.163 -23.779   2.422  1.00  0.50           C  
ATOM    766  C   THR A  53       9.404 -23.830   1.528  1.00  0.62           C  
ATOM    767  O   THR A  53       9.965 -24.881   1.291  1.00  1.56           O  
ATOM    768  CB  THR A  53       6.937 -24.218   1.618  1.00  0.51           C  
ATOM    769  OG1 THR A  53       5.761 -23.713   2.236  1.00  1.30           O  
ATOM    770  CG2 THR A  53       6.875 -25.746   1.571  1.00  1.21           C  
ATOM    771  H   THR A  53       7.344 -21.786   2.447  1.00  0.45           H  
ATOM    772  HA  THR A  53       8.298 -24.442   3.264  1.00  0.58           H  
ATOM    773  HB  THR A  53       7.009 -23.834   0.612  1.00  1.01           H  
ATOM    774  HG1 THR A  53       5.777 -23.973   3.160  1.00  1.78           H  
ATOM    775 HG21 THR A  53       7.849 -26.137   1.316  1.00  1.80           H  
ATOM    776 HG22 THR A  53       6.579 -26.124   2.538  1.00  1.76           H  
ATOM    777 HG23 THR A  53       6.157 -26.054   0.827  1.00  1.79           H  
ATOM    778  N   CYS A  54       9.836 -22.704   1.031  1.00  0.53           N  
ATOM    779  CA  CYS A  54      11.041 -22.692   0.153  1.00  0.42           C  
ATOM    780  C   CYS A  54      12.284 -22.998   0.992  1.00  0.46           C  
ATOM    781  O   CYS A  54      12.353 -22.646   2.153  1.00  0.52           O  
ATOM    782  CB  CYS A  54      11.188 -21.313  -0.494  1.00  0.34           C  
ATOM    783  SG  CYS A  54      12.367 -21.261  -1.893  1.00  0.27           S  
ATOM    784  H   CYS A  54       9.370 -21.866   1.235  1.00  1.27           H  
ATOM    785  HA  CYS A  54      10.932 -23.442  -0.615  1.00  0.46           H  
ATOM    786  HB2 CYS A  54      10.231 -20.991  -0.874  1.00  0.36           H  
ATOM    787  HB3 CYS A  54      11.540 -20.606   0.242  1.00  0.38           H  
ATOM    788  N   PRO A  55      13.230 -23.646   0.368  1.00  0.52           N  
ATOM    789  CA  PRO A  55      14.492 -24.008   1.065  1.00  0.64           C  
ATOM    790  C   PRO A  55      15.381 -22.772   1.236  1.00  0.63           C  
ATOM    791  O   PRO A  55      15.787 -22.434   2.329  1.00  1.00           O  
ATOM    792  CB  PRO A  55      15.143 -25.024   0.128  1.00  0.75           C  
ATOM    793  CG  PRO A  55      14.581 -24.718  -1.228  1.00  0.72           C  
ATOM    794  CD  PRO A  55      13.214 -24.100  -1.026  1.00  0.59           C  
ATOM    795  HA  PRO A  55      14.284 -24.464   2.020  1.00  0.70           H  
ATOM    796  HB2 PRO A  55      16.218 -24.901   0.164  1.00  0.82           H  
ATOM    797  HB3 PRO A  55      14.886 -26.021   0.445  1.00  0.84           H  
ATOM    798  HG2 PRO A  55      15.231 -24.023  -1.741  1.00  0.72           H  
ATOM    799  HG3 PRO A  55      14.489 -25.628  -1.798  1.00  0.82           H  
ATOM    800  HD2 PRO A  55      13.076 -23.266  -1.702  1.00  0.57           H  
ATOM    801  HD3 PRO A  55      12.441 -24.837  -1.172  1.00  0.65           H  
ATOM    802  N   VAL A  56      15.686 -22.096   0.162  1.00  0.66           N  
ATOM    803  CA  VAL A  56      16.547 -20.884   0.263  1.00  0.67           C  
ATOM    804  C   VAL A  56      15.665 -19.643   0.418  1.00  0.62           C  
ATOM    805  O   VAL A  56      16.129 -18.581   0.780  1.00  0.73           O  
ATOM    806  CB  VAL A  56      17.395 -20.753  -1.003  1.00  0.72           C  
ATOM    807  CG1 VAL A  56      18.862 -21.037  -0.668  1.00  1.45           C  
ATOM    808  CG2 VAL A  56      16.909 -21.761  -2.047  1.00  1.68           C  
ATOM    809  H   VAL A  56      15.347 -22.385  -0.712  1.00  0.97           H  
ATOM    810  HA  VAL A  56      17.194 -20.975   1.123  1.00  0.73           H  
ATOM    811  HB  VAL A  56      17.303 -19.752  -1.395  1.00  1.32           H  
ATOM    812 HG11 VAL A  56      19.079 -20.677   0.328  1.00  2.00           H  
ATOM    813 HG12 VAL A  56      19.042 -22.100  -0.714  1.00  1.92           H  
ATOM    814 HG13 VAL A  56      19.497 -20.532  -1.379  1.00  2.12           H  
ATOM    815 HG21 VAL A  56      15.856 -21.609  -2.231  1.00  2.21           H  
ATOM    816 HG22 VAL A  56      17.460 -21.620  -2.966  1.00  2.12           H  
ATOM    817 HG23 VAL A  56      17.071 -22.765  -1.682  1.00  2.29           H  
ATOM    818  N   GLN A  57      14.395 -19.770   0.144  1.00  0.58           N  
ATOM    819  CA  GLN A  57      13.484 -18.598   0.277  1.00  0.55           C  
ATOM    820  C   GLN A  57      13.905 -17.509  -0.713  1.00  0.64           C  
ATOM    821  O   GLN A  57      14.233 -16.402  -0.332  1.00  1.29           O  
ATOM    822  CB  GLN A  57      13.562 -18.049   1.703  1.00  0.58           C  
ATOM    823  CG  GLN A  57      12.206 -18.221   2.391  1.00  0.62           C  
ATOM    824  CD  GLN A  57      12.326 -17.823   3.863  1.00  1.02           C  
ATOM    825  OE1 GLN A  57      12.251 -16.656   4.197  1.00  1.66           O  
ATOM    826  NE2 GLN A  57      12.509 -18.748   4.765  1.00  1.64           N  
ATOM    827  H   GLN A  57      14.039 -20.636  -0.145  1.00  0.65           H  
ATOM    828  HA  GLN A  57      12.470 -18.904   0.064  1.00  0.55           H  
ATOM    829  HB2 GLN A  57      14.318 -18.587   2.255  1.00  0.75           H  
ATOM    830  HB3 GLN A  57      13.816 -17.000   1.672  1.00  0.76           H  
ATOM    831  HG2 GLN A  57      11.474 -17.592   1.905  1.00  0.97           H  
ATOM    832  HG3 GLN A  57      11.896 -19.252   2.324  1.00  0.80           H  
ATOM    833 HE21 GLN A  57      12.570 -19.688   4.496  1.00  2.15           H  
ATOM    834 HE22 GLN A  57      12.588 -18.504   5.710  1.00  1.99           H  
ATOM    835  N   CYS A  58      13.898 -17.812  -1.982  1.00  0.66           N  
ATOM    836  CA  CYS A  58      14.297 -16.793  -2.995  1.00  0.74           C  
ATOM    837  C   CYS A  58      13.155 -15.793  -3.186  1.00  0.71           C  
ATOM    838  O   CYS A  58      12.991 -15.218  -4.244  1.00  0.88           O  
ATOM    839  CB  CYS A  58      14.595 -17.486  -4.325  1.00  0.92           C  
ATOM    840  SG  CYS A  58      13.681 -19.046  -4.413  1.00  1.95           S  
ATOM    841  H   CYS A  58      13.629 -18.710  -2.270  1.00  1.11           H  
ATOM    842  HA  CYS A  58      15.179 -16.272  -2.654  1.00  0.78           H  
ATOM    843  HB2 CYS A  58      14.293 -16.846  -5.141  1.00  1.54           H  
ATOM    844  HB3 CYS A  58      15.653 -17.685  -4.399  1.00  1.09           H  
ATOM    845  HG  CYS A  58      14.275 -19.753  -4.148  1.00  2.37           H  
ATOM    846  N   ILE A  59      12.362 -15.582  -2.170  1.00  0.75           N  
ATOM    847  CA  ILE A  59      11.231 -14.621  -2.295  1.00  0.75           C  
ATOM    848  C   ILE A  59      11.412 -13.483  -1.289  1.00  0.74           C  
ATOM    849  O   ILE A  59      11.957 -13.669  -0.218  1.00  0.99           O  
ATOM    850  CB  ILE A  59       9.914 -15.347  -2.012  1.00  1.07           C  
ATOM    851  CG1 ILE A  59       8.751 -14.360  -2.136  1.00  1.37           C  
ATOM    852  CG2 ILE A  59       9.944 -15.925  -0.596  1.00  1.44           C  
ATOM    853  CD1 ILE A  59       7.430 -15.130  -2.182  1.00  2.20           C  
ATOM    854  H   ILE A  59      12.511 -16.057  -1.326  1.00  0.92           H  
ATOM    855  HA  ILE A  59      11.210 -14.217  -3.296  1.00  0.79           H  
ATOM    856  HB  ILE A  59       9.786 -16.149  -2.725  1.00  1.21           H  
ATOM    857 HG12 ILE A  59       8.752 -13.695  -1.284  1.00  1.42           H  
ATOM    858 HG13 ILE A  59       8.862 -13.784  -3.042  1.00  1.75           H  
ATOM    859 HG21 ILE A  59      10.166 -15.138   0.109  1.00  1.82           H  
ATOM    860 HG22 ILE A  59       8.982 -16.356  -0.363  1.00  1.76           H  
ATOM    861 HG23 ILE A  59      10.705 -16.689  -0.534  1.00  1.98           H  
ATOM    862 HD11 ILE A  59       7.630 -16.190  -2.138  1.00  2.56           H  
ATOM    863 HD12 ILE A  59       6.818 -14.844  -1.339  1.00  2.57           H  
ATOM    864 HD13 ILE A  59       6.910 -14.898  -3.100  1.00  2.79           H  
ATOM    865  N   HIS A  60      10.960 -12.306  -1.624  1.00  0.67           N  
ATOM    866  CA  HIS A  60      11.107 -11.156  -0.687  1.00  0.87           C  
ATOM    867  C   HIS A  60       9.911 -10.213  -0.849  1.00  0.75           C  
ATOM    868  O   HIS A  60       9.549  -9.839  -1.946  1.00  1.14           O  
ATOM    869  CB  HIS A  60      12.399 -10.400  -1.003  1.00  1.09           C  
ATOM    870  CG  HIS A  60      13.500 -11.385  -1.289  1.00  1.09           C  
ATOM    871  ND1 HIS A  60      13.691 -11.935  -2.546  1.00  0.80           N  
ATOM    872  CD2 HIS A  60      14.476 -11.927  -0.490  1.00  2.11           C  
ATOM    873  CE1 HIS A  60      14.745 -12.767  -2.469  1.00  1.10           C  
ATOM    874  NE2 HIS A  60      15.261 -12.800  -1.238  1.00  2.15           N  
ATOM    875  H   HIS A  60      10.524 -12.177  -2.492  1.00  0.67           H  
ATOM    876  HA  HIS A  60      11.142 -11.522   0.329  1.00  1.18           H  
ATOM    877  HB2 HIS A  60      12.245  -9.771  -1.867  1.00  1.39           H  
ATOM    878  HB3 HIS A  60      12.675  -9.789  -0.156  1.00  1.53           H  
ATOM    879  HD1 HIS A  60      13.138 -11.746  -3.371  1.00  1.34           H  
ATOM    880  HD2 HIS A  60      14.614 -11.711   0.558  1.00  2.93           H  
ATOM    881  HE1 HIS A  60      15.127 -13.339  -3.302  1.00  1.04           H  
ATOM    882  N   TRP A  61       9.297  -9.827   0.236  1.00  0.77           N  
ATOM    883  CA  TRP A  61       8.127  -8.909   0.142  1.00  0.60           C  
ATOM    884  C   TRP A  61       8.589  -7.541  -0.364  1.00  0.53           C  
ATOM    885  O   TRP A  61       9.732  -7.163  -0.205  1.00  0.66           O  
ATOM    886  CB  TRP A  61       7.486  -8.753   1.521  1.00  0.70           C  
ATOM    887  CG  TRP A  61       6.891 -10.055   1.944  1.00  0.70           C  
ATOM    888  CD1 TRP A  61       7.585 -11.141   2.355  1.00  1.05           C  
ATOM    889  CD2 TRP A  61       5.490 -10.419   2.001  1.00  0.66           C  
ATOM    890  NE1 TRP A  61       6.688 -12.151   2.662  1.00  1.10           N  
ATOM    891  CE2 TRP A  61       5.381 -11.750   2.458  1.00  0.78           C  
ATOM    892  CE3 TRP A  61       4.316  -9.718   1.700  1.00  0.94           C  
ATOM    893  CZ2 TRP A  61       4.140 -12.369   2.613  1.00  0.82           C  
ATOM    894  CZ3 TRP A  61       3.063 -10.334   1.852  1.00  1.14           C  
ATOM    895  CH2 TRP A  61       2.975 -11.658   2.308  1.00  0.96           C  
ATOM    896  H   TRP A  61       9.605 -10.139   1.113  1.00  1.18           H  
ATOM    897  HA  TRP A  61       7.401  -9.321  -0.545  1.00  0.57           H  
ATOM    898  HB2 TRP A  61       8.229  -8.449   2.236  1.00  0.89           H  
ATOM    899  HB3 TRP A  61       6.709  -8.004   1.472  1.00  0.74           H  
ATOM    900  HD1 TRP A  61       8.660 -11.210   2.433  1.00  1.37           H  
ATOM    901  HE1 TRP A  61       6.937 -13.072   2.994  1.00  1.42           H  
ATOM    902  HE3 TRP A  61       4.383  -8.699   1.350  1.00  1.16           H  
ATOM    903  HZ2 TRP A  61       4.080 -13.389   2.963  1.00  1.00           H  
ATOM    904  HZ3 TRP A  61       2.162  -9.785   1.617  1.00  1.53           H  
ATOM    905  HH2 TRP A  61       2.009 -12.127   2.423  1.00  1.13           H  
ATOM    906  N   GLU A  62       7.707  -6.796  -0.974  1.00  0.46           N  
ATOM    907  CA  GLU A  62       8.096  -5.453  -1.489  1.00  0.49           C  
ATOM    908  C   GLU A  62       7.243  -4.380  -0.810  1.00  0.57           C  
ATOM    909  O   GLU A  62       6.063  -4.256  -1.069  1.00  0.68           O  
ATOM    910  CB  GLU A  62       7.870  -5.403  -3.002  1.00  0.53           C  
ATOM    911  CG  GLU A  62       7.888  -3.948  -3.474  1.00  0.68           C  
ATOM    912  CD  GLU A  62       8.303  -3.892  -4.945  1.00  1.28           C  
ATOM    913  OE1 GLU A  62       9.488  -4.009  -5.211  1.00  1.89           O  
ATOM    914  OE2 GLU A  62       7.429  -3.734  -5.781  1.00  1.96           O  
ATOM    915  H   GLU A  62       6.790  -7.119  -1.092  1.00  0.49           H  
ATOM    916  HA  GLU A  62       9.139  -5.272  -1.275  1.00  0.53           H  
ATOM    917  HB2 GLU A  62       8.654  -5.955  -3.501  1.00  0.61           H  
ATOM    918  HB3 GLU A  62       6.913  -5.843  -3.238  1.00  0.49           H  
ATOM    919  HG2 GLU A  62       6.902  -3.520  -3.360  1.00  0.95           H  
ATOM    920  HG3 GLU A  62       8.595  -3.386  -2.881  1.00  1.04           H  
ATOM    921  N   ASP A  63       7.832  -3.602   0.058  1.00  0.69           N  
ATOM    922  CA  ASP A  63       7.054  -2.538   0.752  1.00  0.83           C  
ATOM    923  C   ASP A  63       7.030  -1.276  -0.113  1.00  1.09           C  
ATOM    924  O   ASP A  63       6.044  -0.568  -0.168  1.00  1.56           O  
ATOM    925  CB  ASP A  63       7.711  -2.222   2.098  1.00  1.10           C  
ATOM    926  CG  ASP A  63       6.628  -2.021   3.160  1.00  1.63           C  
ATOM    927  OD1 ASP A  63       6.002  -0.975   3.148  1.00  2.32           O  
ATOM    928  OD2 ASP A  63       6.446  -2.917   3.968  1.00  2.23           O  
ATOM    929  H   ASP A  63       8.785  -3.719   0.253  1.00  0.76           H  
ATOM    930  HA  ASP A  63       6.043  -2.880   0.917  1.00  0.87           H  
ATOM    931  HB2 ASP A  63       8.352  -3.043   2.385  1.00  1.56           H  
ATOM    932  HB3 ASP A  63       8.297  -1.320   2.009  1.00  1.64           H  
ATOM    933  N   GLU A  64       8.109  -0.988  -0.788  1.00  1.53           N  
ATOM    934  CA  GLU A  64       8.148   0.227  -1.648  1.00  1.91           C  
ATOM    935  C   GLU A  64       8.093  -0.187  -3.120  1.00  2.65           C  
ATOM    936  O   GLU A  64       7.059   0.015  -3.734  1.00  3.15           O  
ATOM    937  CB  GLU A  64       9.442   1.000  -1.382  1.00  2.09           C  
ATOM    938  CG  GLU A  64       9.232   2.479  -1.711  1.00  2.92           C  
ATOM    939  CD  GLU A  64      10.189   3.331  -0.875  1.00  3.68           C  
ATOM    940  OE1 GLU A  64       9.955   3.454   0.316  1.00  4.24           O  
ATOM    941  OE2 GLU A  64      11.140   3.845  -1.440  1.00  4.13           O  
ATOM    942  OXT GLU A  64       9.088  -0.699  -3.608  1.00  3.27           O  
ATOM    943  H   GLU A  64       8.894  -1.572  -0.729  1.00  1.96           H  
ATOM    944  HA  GLU A  64       7.300   0.858  -1.420  1.00  2.23           H  
ATOM    945  HB2 GLU A  64       9.716   0.897  -0.342  1.00  2.31           H  
ATOM    946  HB3 GLU A  64      10.232   0.605  -2.003  1.00  2.37           H  
ATOM    947  HG2 GLU A  64       9.424   2.645  -2.761  1.00  3.29           H  
ATOM    948  HG3 GLU A  64       8.214   2.757  -1.484  1.00  3.26           H  
TER     949      GLU A  64                                                      
HETATM  950 FE1  SF4 A  65      11.313 -22.432  -6.488  1.00  0.23          FE  
HETATM  951 FE2  SF4 A  65      10.459 -24.533  -4.900  1.00  0.25          FE  
HETATM  952 FE3  SF4 A  65       9.024 -21.937  -5.316  1.00  0.21          FE  
HETATM  953 FE4  SF4 A  65      11.289 -22.052  -3.613  1.00  0.22          FE  
HETATM  954  S1  SF4 A  65       9.377 -23.064  -3.138  1.00  0.23           S  
HETATM  955  S2  SF4 A  65      10.714 -20.535  -5.527  1.00  0.22           S  
HETATM  956  S3  SF4 A  65      12.538 -23.771  -4.828  1.00  0.24           S  
HETATM  957  S4  SF4 A  65       9.589 -23.373  -6.895  1.00  0.27           S  
CONECT  177  950                                                                
CONECT  214  951                                                                
CONECT  216  951                                                                
CONECT  252  952                                                                
CONECT  783  953                                                                
CONECT  950  177  955  956  957                                                 
CONECT  951  214  216  954  956                                                 
CONECT  951  957                                                                
CONECT  952  252  954  955  957                                                 
CONECT  953  783  954  955  956                                                 
CONECT  954  951  952  953                                                      
CONECT  955  950  952  953                                                      
CONECT  956  950  951  953                                                      
CONECT  957  950  951  952                                                      
MASTER      190    0    1    2    2    0    2    6  508    1   14    5          
END