HEADER    ELECTRON TRANSPORT                      06-MAY-98   1BD6              
TITLE     7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE      
TITLE    2 STRUCTURE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 7-FE FERREDOXIN;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SCHLEGELII;                            
SOURCE   3 ORGANISM_TAXID: 1484;                                                
SOURCE   4 ATCC: ATCC 43741;                                                    
SOURCE   5 COLLECTION: ATCC 43741;                                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: JM 109;                                    
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACTERIUM;                            
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PKKFD54                                   
KEYWDS    ELECTRON TRANSPORT, IRON-SULFUR                                       
EXPDTA    SOLUTION NMR                                                          
AUTHOR    S.AONO,D.BENTROP,I.BERTINI,A.DONAIRE,C.LUCHINAT,Y.NIIKURA,A.ROSATO    
REVDAT   5   16-FEB-22 1BD6    1       REMARK LINK                              
REVDAT   4   24-MAR-09 1BD6    1       ATOM   CONECT                            
REVDAT   3   24-FEB-09 1BD6    1       VERSN                                    
REVDAT   2   01-SEP-99 1BD6    1       JRNL                                     
REVDAT   1   17-JUN-98 1BD6    0                                                
JRNL        AUTH   S.AONO,D.BENTROP,I.BERTINI,A.DONAIRE,C.LUCHINAT,Y.NIIKURA,   
JRNL        AUTH 2 A.ROSATO                                                     
JRNL        TITL   SOLUTION STRUCTURE OF THE OXIDIZED FE7S8 FERREDOXIN FROM THE 
JRNL        TITL 2 THERMOPHILIC BACTERIUM BACILLUS SCHLEGELII BY 1H NMR         
JRNL        TITL 3 SPECTROSCOPY.                                                
JRNL        REF    BIOCHEMISTRY                  V.  37  9812 1998              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   9657695                                                      
JRNL        DOI    10.1021/BI972818B                                            
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.AONO,I.BERTINI,J.A.COWAN,C.LUCHINAT,A.ROSATO,M.S.VIEZZOLI  
REMARK   1  TITL   1H NMR STUDIES OF THE FE7S8 FERREDOXIN FROM BACILLUS         
REMARK   1  TITL 2 SCHLEGELII: A FURTHER ATTEMPT TO UNDERSTAND FE3S4 CLUSTERS   
REMARK   1  REF    J.BIOL.INORG.CHEM.            V.   1   523 1996              
REMARK   1  REFN                   ISSN 0949-8257                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   S.AONO,S.NAKAMURA,R.AONO,I.OKURA                             
REMARK   1  TITL   CLONING AND EXPRESSION OF THE GENE ENCODING THE 7FE TYPE     
REMARK   1  TITL 2 FERREDOXIN FROM A THERMOPHILIC HYDROGEN OXIDIZING BACTERIUM, 
REMARK   1  TITL 3 BACILLUS SCHLEGELII                                          
REMARK   1  REF    BIOCHEM.BIOPHYS.RES.COMMUN.   V. 201   938 1994              
REMARK   1  REFN                   ISSN 0006-291X                               
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   S.AONO,H.KURITA,S.UNO,I.OKURA                                
REMARK   1  TITL   PURIFICATION AND CHARACTERIZATION OF A 7FE FERREDOXIN FROM A 
REMARK   1  TITL 2 THERMOPHILIC HYDROGEN-OXIDIZING BACTERIUM, BACILLUS          
REMARK   1  TITL 3 SCHLEGELII                                                   
REMARK   1  REF    J.BIOCHEM.(TOKYO)             V. 112   792 1992              
REMARK   1  REFN                   ISSN 0021-924X                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER                                                
REMARK   3   AUTHORS     : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,                
REMARK   3                 FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE CALCULATIONS WERE CARRIED   
REMARK   3  OUT WITH THE PROGRAM DYANA (BY GUNTERT,MUMENTHALER,WUTHRICH).       
REMARK   3  THE 20 STRUCTURES OF THE DYANA FAMILY WITH THE LOWEST TARGET        
REMARK   3  FUNCTION VALUES WERE REFINED BY RESTRAINED ENERGY MINIMIZATION      
REMARK   3  (REM) AND RESTRAINED MOLECULAR DYNAMICS (RMD) IN VACUO. THE         
REMARK   3  STRUCTURE IN THIS ENTRY REPRESENTS THE MINIMIZED AVERAGE            
REMARK   3  STRUCTURE OF THE RMD FAMILY. REFINEMENT DETAILS CAN BE FOUND IN     
REMARK   3  THE JRNL CITATION ABOVE.                                            
REMARK   4                                                                      
REMARK   4 1BD6 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_1000171612.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 288                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; TOCSY; DQF-COSY             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AMX600; DRX 500                    
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA                              
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 300                                
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: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLU A   6      -66.19    -15.94                                   
REMARK 500    LYS A  12      -42.07     76.07                                   
REMARK 500    ALA A  14      -50.68   -169.58                                   
REMARK 500    VAL A  17      -79.04      9.98                                   
REMARK 500    ASP A  23       22.04     40.09                                   
REMARK 500    ASP A  30      -72.29   -110.29                                   
REMARK 500    ASP A  41       78.83     48.15                                   
REMARK 500    LYS A  76     -153.71    -84.95                                   
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    TYR A  32         0.09    SIDE CHAIN                              
REMARK 500    TYR A  33         0.09    SIDE CHAIN                              
REMARK 500    PHE A  74         0.09    SIDE CHAIN                              
REMARK 500    PHE A  75         0.08    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                             F3S A  78  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   8   SG                                                     
REMARK 620 2 F3S A  78   S1  117.9                                              
REMARK 620 3 F3S A  78   S2  116.6 103.2                                        
REMARK 620 4 F3S A  78   S3  113.8 101.4 101.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S A  78  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  16   SG                                                     
REMARK 620 2 F3S A  78   S2  112.6                                              
REMARK 620 3 F3S A  78   S3  109.8 110.1                                        
REMARK 620 4 F3S A  78   S4  113.2  98.9 111.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  79  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  20   SG                                                     
REMARK 620 2 SF4 A  79   S2  116.5                                              
REMARK 620 3 SF4 A  79   S3  115.2 104.1                                        
REMARK 620 4 SF4 A  79   S4  113.5 102.1 103.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  79  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  39   SG                                                     
REMARK 620 2 SF4 A  79   S1  105.1                                              
REMARK 620 3 SF4 A  79   S3  114.1 102.6                                        
REMARK 620 4 SF4 A  79   S4  111.9 110.5 112.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  79  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  42   SG                                                     
REMARK 620 2 SF4 A  79   S1  109.2                                              
REMARK 620 3 SF4 A  79   S2  112.7 104.6                                        
REMARK 620 4 SF4 A  79   S4  115.1 104.5 109.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  79  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  45   SG                                                     
REMARK 620 2 SF4 A  79   S1   98.8                                              
REMARK 620 3 SF4 A  79   S2  109.9 107.6                                        
REMARK 620 4 SF4 A  79   S3  126.5 104.6 107.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S A  78  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  49   SG                                                     
REMARK 620 2 F3S A  78   S1  119.5                                              
REMARK 620 3 F3S A  78   S3  111.4 108.2                                        
REMARK 620 4 F3S A  78   S4  109.4 101.8 105.4                                  
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 F3S A 78                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 79                  
DBREF  1BD6 A    1    77  UNP    Q45560   FER_BACSC        1     77             
SEQRES   1 A   77  ALA TYR VAL ILE THR GLU PRO CYS ILE GLY THR LYS ASP          
SEQRES   2 A   77  ALA SER CYS VAL GLU VAL CYS PRO VAL ASP CYS ILE HIS          
SEQRES   3 A   77  GLU GLY GLU ASP GLN TYR TYR ILE ASP PRO ASP VAL CYS          
SEQRES   4 A   77  ILE ASP CYS GLY ALA CYS GLU ALA VAL CYS PRO VAL SER          
SEQRES   5 A   77  ALA ILE TYR HIS GLU ASP PHE VAL PRO GLU GLU TRP LYS          
SEQRES   6 A   77  SER TYR ILE GLN LYS ASN ARG ASP PHE PHE LYS LYS              
HET    F3S  A  78       7                                                       
HET    SF4  A  79       8                                                       
HETNAM     F3S FE3-S4 CLUSTER                                                   
HETNAM     SF4 IRON/SULFUR CLUSTER                                              
FORMUL   2  F3S    FE3 S4                                                       
FORMUL   3  SF4    FE4 S4                                                       
HELIX    1   1 GLU A    6  CYS A    8  5                                   3    
HELIX    2   2 VAL A   17  VAL A   19  5                                   3    
HELIX    3   3 ALA A   44  VAL A   48  1                                   5    
HELIX    4   4 PRO A   50  SER A   52  5                                   3    
HELIX    5   5 GLU A   62  PHE A   75  1                                  14    
SHEET    1   A 2 ILE A  25  GLU A  27  0                                        
SHEET    2   A 2 TYR A  32  ILE A  34 -1  N  TYR A  33   O  HIS A  26           
SHEET    1   B 2 TYR A   2  VAL A   3  0                                        
SHEET    2   B 2 TYR A  55  HIS A  56 -1  O  TYR A  55   N  VAL A   3           
LINK         SG  CYS A   8                FE1  F3S A  78     1555   1555  2.12  
LINK         SG  CYS A  16                FE4  F3S A  78     1555   1555  2.15  
LINK         SG  CYS A  20                FE1  SF4 A  79     1555   1555  2.05  
LINK         SG  CYS A  39                FE2  SF4 A  79     1555   1555  2.05  
LINK         SG  CYS A  42                FE3  SF4 A  79     1555   1555  2.13  
LINK         SG  CYS A  45                FE4  SF4 A  79     1555   1555  2.04  
LINK         SG  CYS A  49                FE3  F3S A  78     1555   1555  2.19  
CISPEP   1 ALA A   14    SER A   15          0         3.32                     
SITE     1 AC1  6 ILE A   4  CYS A   8  SER A  15  CYS A  16                    
SITE     2 AC1  6 CYS A  49  ILE A  54                                          
SITE     1 AC2  7 TYR A   2  CYS A  20  ILE A  34  CYS A  39                    
SITE     2 AC2  7 ILE A  40  CYS A  42  CYS A  45                               
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      -2.185  -4.352   8.752  1.00  0.00           N  
ATOM      2  CA  ALA A   1      -1.323  -3.611   7.819  1.00  0.00           C  
ATOM      3  C   ALA A   1      -2.131  -2.996   6.670  1.00  0.00           C  
ATOM      4  O   ALA A   1      -3.058  -3.628   6.157  1.00  0.00           O  
ATOM      5  CB  ALA A   1      -0.405  -2.612   8.505  1.00  0.00           C  
ATOM      6  H1  ALA A   1      -2.590  -5.153   8.265  1.00  0.00           H  
ATOM      7  H2  ALA A   1      -2.918  -3.747   9.122  1.00  0.00           H  
ATOM      8  HA  ALA A   1      -0.602  -4.313   7.435  1.00  0.00           H  
ATOM      9  HB1 ALA A   1       0.061  -3.065   9.379  1.00  0.00           H  
ATOM     10  HB2 ALA A   1       0.368  -2.385   7.768  1.00  0.00           H  
ATOM     11  HB3 ALA A   1      -0.938  -1.709   8.786  1.00  0.00           H  
ATOM     12  N   TYR A   2      -1.794  -1.763   6.269  1.00  0.00           N  
ATOM     13  CA  TYR A   2      -2.440  -1.033   5.191  1.00  0.00           C  
ATOM     14  C   TYR A   2      -1.663  -1.248   3.905  1.00  0.00           C  
ATOM     15  O   TYR A   2      -0.437  -1.163   3.900  1.00  0.00           O  
ATOM     16  CB  TYR A   2      -2.533   0.450   5.541  1.00  0.00           C  
ATOM     17  CG  TYR A   2      -3.797   0.776   6.299  1.00  0.00           C  
ATOM     18  CD1 TYR A   2      -3.854   0.556   7.685  1.00  0.00           C  
ATOM     19  CD2 TYR A   2      -4.964   1.125   5.596  1.00  0.00           C  
ATOM     20  CE1 TYR A   2      -5.061   0.732   8.380  1.00  0.00           C  
ATOM     21  CE2 TYR A   2      -6.168   1.310   6.291  1.00  0.00           C  
ATOM     22  CZ  TYR A   2      -6.206   1.154   7.688  1.00  0.00           C  
ATOM     23  OH  TYR A   2      -7.349   1.429   8.372  1.00  0.00           O  
ATOM     24  H   TYR A   2      -0.978  -1.320   6.670  1.00  0.00           H  
ATOM     25  HA  TYR A   2      -3.449  -1.406   5.043  1.00  0.00           H  
ATOM     26  HB2 TYR A   2      -1.660   0.743   6.122  1.00  0.00           H  
ATOM     27  HB3 TYR A   2      -2.526   1.039   4.626  1.00  0.00           H  
ATOM     28  HD1 TYR A   2      -2.970   0.231   8.204  1.00  0.00           H  
ATOM     29  HD2 TYR A   2      -4.941   1.252   4.524  1.00  0.00           H  
ATOM     30  HE1 TYR A   2      -5.091   0.602   9.452  1.00  0.00           H  
ATOM     31  HE2 TYR A   2      -7.052   1.631   5.759  1.00  0.00           H  
ATOM     32  HH  TYR A   2      -7.684   2.283   8.042  1.00  0.00           H  
ATOM     33  N   VAL A   3      -2.381  -1.585   2.834  1.00  0.00           N  
ATOM     34  CA  VAL A   3      -1.778  -2.115   1.625  1.00  0.00           C  
ATOM     35  C   VAL A   3      -2.410  -1.499   0.389  1.00  0.00           C  
ATOM     36  O   VAL A   3      -3.541  -1.017   0.400  1.00  0.00           O  
ATOM     37  CB  VAL A   3      -1.897  -3.646   1.611  1.00  0.00           C  
ATOM     38  CG1 VAL A   3      -0.746  -4.246   0.797  1.00  0.00           C  
ATOM     39  CG2 VAL A   3      -1.872  -4.266   3.013  1.00  0.00           C  
ATOM     40  H   VAL A   3      -3.396  -1.641   2.909  1.00  0.00           H  
ATOM     41  HA  VAL A   3      -0.721  -1.851   1.567  1.00  0.00           H  
ATOM     42  HB  VAL A   3      -2.851  -3.902   1.155  1.00  0.00           H  
ATOM     43 HG11 VAL A   3       0.209  -3.832   1.122  1.00  0.00           H  
ATOM     44 HG12 VAL A   3      -0.718  -5.320   0.954  1.00  0.00           H  
ATOM     45 HG13 VAL A   3      -0.887  -4.041  -0.262  1.00  0.00           H  
ATOM     46 HG21 VAL A   3      -1.020  -3.878   3.562  1.00  0.00           H  
ATOM     47 HG22 VAL A   3      -2.796  -4.029   3.541  1.00  0.00           H  
ATOM     48 HG23 VAL A   3      -1.784  -5.349   2.956  1.00  0.00           H  
ATOM     49  N   ILE A   4      -1.639  -1.509  -0.690  1.00  0.00           N  
ATOM     50  CA  ILE A   4      -2.047  -0.979  -1.970  1.00  0.00           C  
ATOM     51  C   ILE A   4      -3.249  -1.759  -2.513  1.00  0.00           C  
ATOM     52  O   ILE A   4      -3.448  -2.919  -2.151  1.00  0.00           O  
ATOM     53  CB  ILE A   4      -0.817  -1.083  -2.904  1.00  0.00           C  
ATOM     54  CG1 ILE A   4      -0.697   0.139  -3.815  1.00  0.00           C  
ATOM     55  CG2 ILE A   4      -0.834  -2.352  -3.750  1.00  0.00           C  
ATOM     56  CD1 ILE A   4      -0.271   1.380  -3.029  1.00  0.00           C  
ATOM     57  H   ILE A   4      -0.725  -1.930  -0.626  1.00  0.00           H  
ATOM     58  HA  ILE A   4      -2.372   0.050  -1.790  1.00  0.00           H  
ATOM     59  HB  ILE A   4       0.104  -1.206  -2.321  1.00  0.00           H  
ATOM     60 HG12 ILE A   4       0.051  -0.058  -4.580  1.00  0.00           H  
ATOM     61 HG13 ILE A   4      -1.652   0.325  -4.306  1.00  0.00           H  
ATOM     62 HG21 ILE A   4      -1.019  -3.186  -3.071  1.00  0.00           H  
ATOM     63 HG22 ILE A   4      -1.605  -2.312  -4.518  1.00  0.00           H  
ATOM     64 HG23 ILE A   4       0.140  -2.457  -4.230  1.00  0.00           H  
ATOM     65 HD11 ILE A   4      -0.197   1.175  -1.961  1.00  0.00           H  
ATOM     66 HD12 ILE A   4       0.694   1.737  -3.390  1.00  0.00           H  
ATOM     67 HD13 ILE A   4      -1.019   2.150  -3.193  1.00  0.00           H  
ATOM     68  N   THR A   5      -3.995  -1.171  -3.449  1.00  0.00           N  
ATOM     69  CA  THR A   5      -4.838  -1.936  -4.351  1.00  0.00           C  
ATOM     70  C   THR A   5      -4.735  -1.358  -5.760  1.00  0.00           C  
ATOM     71  O   THR A   5      -4.196  -0.269  -5.972  1.00  0.00           O  
ATOM     72  CB  THR A   5      -6.305  -1.945  -3.890  1.00  0.00           C  
ATOM     73  OG1 THR A   5      -6.798  -0.634  -3.746  1.00  0.00           O  
ATOM     74  CG2 THR A   5      -6.521  -2.720  -2.595  1.00  0.00           C  
ATOM     75  H   THR A   5      -3.819  -0.214  -3.722  1.00  0.00           H  
ATOM     76  HA  THR A   5      -4.478  -2.967  -4.404  1.00  0.00           H  
ATOM     77  HB  THR A   5      -6.903  -2.442  -4.651  1.00  0.00           H  
ATOM     78  HG1 THR A   5      -6.291  -0.180  -3.059  1.00  0.00           H  
ATOM     79 HG21 THR A   5      -6.099  -3.719  -2.702  1.00  0.00           H  
ATOM     80 HG22 THR A   5      -6.035  -2.210  -1.763  1.00  0.00           H  
ATOM     81 HG23 THR A   5      -7.591  -2.812  -2.388  1.00  0.00           H  
ATOM     82  N   GLU A   6      -5.309  -2.124  -6.689  1.00  0.00           N  
ATOM     83  CA  GLU A   6      -5.631  -1.793  -8.064  1.00  0.00           C  
ATOM     84  C   GLU A   6      -5.621  -0.287  -8.397  1.00  0.00           C  
ATOM     85  O   GLU A   6      -4.768   0.121  -9.178  1.00  0.00           O  
ATOM     86  CB  GLU A   6      -6.919  -2.534  -8.413  1.00  0.00           C  
ATOM     87  CG  GLU A   6      -7.359  -2.458  -9.876  1.00  0.00           C  
ATOM     88  CD  GLU A   6      -6.748  -3.568 -10.728  1.00  0.00           C  
ATOM     89  OE1 GLU A   6      -5.665  -4.066 -10.347  1.00  0.00           O  
ATOM     90  OE2 GLU A   6      -7.385  -3.914 -11.743  1.00  0.00           O  
ATOM     91  H   GLU A   6      -5.637  -3.028  -6.387  1.00  0.00           H  
ATOM     92  HA  GLU A   6      -4.886  -2.272  -8.675  1.00  0.00           H  
ATOM     93  HB2 GLU A   6      -6.803  -3.585  -8.156  1.00  0.00           H  
ATOM     94  HB3 GLU A   6      -7.696  -2.146  -7.787  1.00  0.00           H  
ATOM     95  HG2 GLU A   6      -8.445  -2.575  -9.884  1.00  0.00           H  
ATOM     96  HG3 GLU A   6      -7.116  -1.493 -10.317  1.00  0.00           H  
ATOM     97  N   PRO A   7      -6.519   0.560  -7.857  1.00  0.00           N  
ATOM     98  CA  PRO A   7      -6.649   1.953  -8.280  1.00  0.00           C  
ATOM     99  C   PRO A   7      -5.361   2.791  -8.324  1.00  0.00           C  
ATOM    100  O   PRO A   7      -5.288   3.725  -9.124  1.00  0.00           O  
ATOM    101  CB  PRO A   7      -7.725   2.587  -7.387  1.00  0.00           C  
ATOM    102  CG  PRO A   7      -8.025   1.541  -6.310  1.00  0.00           C  
ATOM    103  CD  PRO A   7      -7.615   0.228  -6.962  1.00  0.00           C  
ATOM    104  HA  PRO A   7      -7.038   1.934  -9.301  1.00  0.00           H  
ATOM    105  HB2 PRO A   7      -7.393   3.527  -6.943  1.00  0.00           H  
ATOM    106  HB3 PRO A   7      -8.621   2.764  -7.982  1.00  0.00           H  
ATOM    107  HG2 PRO A   7      -7.395   1.701  -5.438  1.00  0.00           H  
ATOM    108  HG3 PRO A   7      -9.074   1.544  -6.014  1.00  0.00           H  
ATOM    109  HD2 PRO A   7      -7.356  -0.501  -6.195  1.00  0.00           H  
ATOM    110  HD3 PRO A   7      -8.460  -0.127  -7.554  1.00  0.00           H  
ATOM    111  N   CYS A   8      -4.350   2.512  -7.491  1.00  0.00           N  
ATOM    112  CA  CYS A   8      -3.105   3.276  -7.577  1.00  0.00           C  
ATOM    113  C   CYS A   8      -2.317   2.918  -8.853  1.00  0.00           C  
ATOM    114  O   CYS A   8      -1.561   3.745  -9.360  1.00  0.00           O  
ATOM    115  CB  CYS A   8      -2.294   3.143  -6.311  1.00  0.00           C  
ATOM    116  SG  CYS A   8      -0.682   3.990  -6.350  1.00  0.00           S  
ATOM    117  H   CYS A   8      -4.395   1.712  -6.870  1.00  0.00           H  
ATOM    118  HA  CYS A   8      -3.358   4.335  -7.646  1.00  0.00           H  
ATOM    119  HB2 CYS A   8      -2.871   3.550  -5.481  1.00  0.00           H  
ATOM    120  HB3 CYS A   8      -2.130   2.089  -6.103  1.00  0.00           H  
ATOM    121  N   ILE A   9      -2.492   1.710  -9.408  1.00  0.00           N  
ATOM    122  CA  ILE A   9      -1.824   1.293 -10.630  1.00  0.00           C  
ATOM    123  C   ILE A   9      -2.060   2.338 -11.720  1.00  0.00           C  
ATOM    124  O   ILE A   9      -3.192   2.748 -11.973  1.00  0.00           O  
ATOM    125  CB  ILE A   9      -2.271  -0.107 -11.066  1.00  0.00           C  
ATOM    126  CG1 ILE A   9      -1.903  -1.107  -9.963  1.00  0.00           C  
ATOM    127  CG2 ILE A   9      -1.591  -0.505 -12.388  1.00  0.00           C  
ATOM    128  CD1 ILE A   9      -2.447  -2.497 -10.234  1.00  0.00           C  
ATOM    129  H   ILE A   9      -3.193   1.070  -9.061  1.00  0.00           H  
ATOM    130  HA  ILE A   9      -0.773   1.189 -10.398  1.00  0.00           H  
ATOM    131  HB  ILE A   9      -3.348  -0.103 -11.200  1.00  0.00           H  
ATOM    132 HG12 ILE A   9      -0.824  -1.175  -9.888  1.00  0.00           H  
ATOM    133 HG13 ILE A   9      -2.312  -0.792  -9.005  1.00  0.00           H  
ATOM    134 HG21 ILE A   9      -0.506  -0.475 -12.274  1.00  0.00           H  
ATOM    135 HG22 ILE A   9      -1.889  -1.508 -12.689  1.00  0.00           H  
ATOM    136 HG23 ILE A   9      -1.881   0.172 -13.191  1.00  0.00           H  
ATOM    137 HD11 ILE A   9      -3.492  -2.416 -10.523  1.00  0.00           H  
ATOM    138 HD12 ILE A   9      -1.871  -2.972 -11.024  1.00  0.00           H  
ATOM    139 HD13 ILE A   9      -2.354  -3.078  -9.319  1.00  0.00           H  
ATOM    140  N   GLY A  10      -0.985   2.808 -12.341  1.00  0.00           N  
ATOM    141  CA  GLY A  10      -1.036   3.772 -13.428  1.00  0.00           C  
ATOM    142  C   GLY A  10      -1.196   5.200 -12.911  1.00  0.00           C  
ATOM    143  O   GLY A  10      -0.553   6.113 -13.424  1.00  0.00           O  
ATOM    144  H   GLY A  10      -0.072   2.467 -12.031  1.00  0.00           H  
ATOM    145  HA2 GLY A  10      -0.102   3.705 -13.988  1.00  0.00           H  
ATOM    146  HA3 GLY A  10      -1.857   3.527 -14.098  1.00  0.00           H  
ATOM    147  N   THR A  11      -2.034   5.408 -11.889  1.00  0.00           N  
ATOM    148  CA  THR A  11      -2.089   6.665 -11.155  1.00  0.00           C  
ATOM    149  C   THR A  11      -0.683   7.002 -10.641  1.00  0.00           C  
ATOM    150  O   THR A  11      -0.180   8.101 -10.862  1.00  0.00           O  
ATOM    151  CB  THR A  11      -3.127   6.552 -10.026  1.00  0.00           C  
ATOM    152  OG1 THR A  11      -4.293   5.928 -10.534  1.00  0.00           O  
ATOM    153  CG2 THR A  11      -3.500   7.931  -9.476  1.00  0.00           C  
ATOM    154  H   THR A  11      -2.605   4.641 -11.551  1.00  0.00           H  
ATOM    155  HA  THR A  11      -2.408   7.443 -11.850  1.00  0.00           H  
ATOM    156  HB  THR A  11      -2.725   5.955  -9.208  1.00  0.00           H  
ATOM    157  HG1 THR A  11      -4.545   5.183  -9.967  1.00  0.00           H  
ATOM    158 HG21 THR A  11      -3.875   8.565 -10.280  1.00  0.00           H  
ATOM    159 HG22 THR A  11      -4.274   7.822  -8.716  1.00  0.00           H  
ATOM    160 HG23 THR A  11      -2.626   8.402  -9.023  1.00  0.00           H  
ATOM    161  N   LYS A  12      -0.033   6.017 -10.012  1.00  0.00           N  
ATOM    162  CA  LYS A  12       1.409   5.906  -9.832  1.00  0.00           C  
ATOM    163  C   LYS A  12       2.006   6.821  -8.759  1.00  0.00           C  
ATOM    164  O   LYS A  12       2.898   6.378  -8.031  1.00  0.00           O  
ATOM    165  CB  LYS A  12       2.140   6.010 -11.182  1.00  0.00           C  
ATOM    166  CG  LYS A  12       3.596   5.544 -11.062  1.00  0.00           C  
ATOM    167  CD  LYS A  12       4.591   6.694 -10.846  1.00  0.00           C  
ATOM    168  CE  LYS A  12       5.812   6.204 -10.051  1.00  0.00           C  
ATOM    169  NZ  LYS A  12       5.549   6.170  -8.598  1.00  0.00           N  
ATOM    170  H   LYS A  12      -0.561   5.170  -9.825  1.00  0.00           H  
ATOM    171  HA  LYS A  12       1.543   4.885  -9.474  1.00  0.00           H  
ATOM    172  HB2 LYS A  12       1.640   5.339 -11.883  1.00  0.00           H  
ATOM    173  HB3 LYS A  12       2.097   7.023 -11.583  1.00  0.00           H  
ATOM    174  HG2 LYS A  12       3.662   4.837 -10.241  1.00  0.00           H  
ATOM    175  HG3 LYS A  12       3.872   5.008 -11.973  1.00  0.00           H  
ATOM    176  HD2 LYS A  12       4.914   7.054 -11.824  1.00  0.00           H  
ATOM    177  HD3 LYS A  12       4.129   7.532 -10.321  1.00  0.00           H  
ATOM    178  HE2 LYS A  12       6.121   5.216 -10.396  1.00  0.00           H  
ATOM    179  HE3 LYS A  12       6.640   6.898 -10.206  1.00  0.00           H  
ATOM    180  HZ1 LYS A  12       4.681   5.709  -8.353  1.00  0.00           H  
ATOM    181  HZ2 LYS A  12       6.333   5.738  -8.109  1.00  0.00           H  
ATOM    182  HZ3 LYS A  12       5.471   7.132  -8.273  1.00  0.00           H  
ATOM    183  N   ASP A  13       1.560   8.079  -8.698  1.00  0.00           N  
ATOM    184  CA  ASP A  13       1.929   9.077  -7.703  1.00  0.00           C  
ATOM    185  C   ASP A  13       0.694   9.927  -7.400  1.00  0.00           C  
ATOM    186  O   ASP A  13      -0.307   9.855  -8.114  1.00  0.00           O  
ATOM    187  CB  ASP A  13       3.102   9.940  -8.207  1.00  0.00           C  
ATOM    188  CG  ASP A  13       4.426   9.477  -7.625  1.00  0.00           C  
ATOM    189  OD1 ASP A  13       4.699   9.837  -6.459  1.00  0.00           O  
ATOM    190  OD2 ASP A  13       5.149   8.742  -8.328  1.00  0.00           O  
ATOM    191  H   ASP A  13       0.823   8.359  -9.339  1.00  0.00           H  
ATOM    192  HA  ASP A  13       2.204   8.582  -6.772  1.00  0.00           H  
ATOM    193  HB2 ASP A  13       3.150   9.921  -9.295  1.00  0.00           H  
ATOM    194  HB3 ASP A  13       2.966  10.976  -7.898  1.00  0.00           H  
ATOM    195  N   ALA A  14       0.771  10.730  -6.337  1.00  0.00           N  
ATOM    196  CA  ALA A  14      -0.316  11.541  -5.808  1.00  0.00           C  
ATOM    197  C   ALA A  14       0.162  12.541  -4.740  1.00  0.00           C  
ATOM    198  O   ALA A  14      -0.185  13.716  -4.841  1.00  0.00           O  
ATOM    199  CB  ALA A  14      -1.466  10.658  -5.298  1.00  0.00           C  
ATOM    200  H   ALA A  14       1.657  10.777  -5.849  1.00  0.00           H  
ATOM    201  HA  ALA A  14      -0.706  12.137  -6.635  1.00  0.00           H  
ATOM    202  HB1 ALA A  14      -1.129   9.637  -5.121  1.00  0.00           H  
ATOM    203  HB2 ALA A  14      -1.873  11.059  -4.369  1.00  0.00           H  
ATOM    204  HB3 ALA A  14      -2.260  10.636  -6.044  1.00  0.00           H  
ATOM    205  N   SER A  15       0.913  12.158  -3.700  1.00  0.00           N  
ATOM    206  CA  SER A  15       1.469  10.848  -3.387  1.00  0.00           C  
ATOM    207  C   SER A  15       1.364  10.627  -1.879  1.00  0.00           C  
ATOM    208  O   SER A  15       1.169  11.582  -1.128  1.00  0.00           O  
ATOM    209  CB  SER A  15       2.948  10.801  -3.805  1.00  0.00           C  
ATOM    210  OG  SER A  15       3.138  11.402  -5.070  1.00  0.00           O  
ATOM    211  H   SER A  15       1.093  12.857  -2.993  1.00  0.00           H  
ATOM    212  HA  SER A  15       0.909  10.056  -3.883  1.00  0.00           H  
ATOM    213  HB2 SER A  15       3.553  11.349  -3.080  1.00  0.00           H  
ATOM    214  HB3 SER A  15       3.289   9.763  -3.834  1.00  0.00           H  
ATOM    215  HG  SER A  15       3.860  10.937  -5.531  1.00  0.00           H  
ATOM    216  N   CYS A  16       1.545   9.379  -1.449  1.00  0.00           N  
ATOM    217  CA  CYS A  16       1.495   8.979  -0.050  1.00  0.00           C  
ATOM    218  C   CYS A  16       2.889   9.139   0.570  1.00  0.00           C  
ATOM    219  O   CYS A  16       3.102  10.000   1.423  1.00  0.00           O  
ATOM    220  CB  CYS A  16       0.941   7.572   0.088  1.00  0.00           C  
ATOM    221  SG  CYS A  16       1.369   6.329  -1.170  1.00  0.00           S  
ATOM    222  H   CYS A  16       1.743   8.668  -2.135  1.00  0.00           H  
ATOM    223  HA  CYS A  16       0.820   9.641   0.497  1.00  0.00           H  
ATOM    224  HB2 CYS A  16       1.281   7.184   1.049  1.00  0.00           H  
ATOM    225  HB3 CYS A  16      -0.146   7.623   0.137  1.00  0.00           H  
ATOM    226  N   VAL A  17       3.829   8.310   0.106  1.00  0.00           N  
ATOM    227  CA  VAL A  17       5.229   8.191   0.511  1.00  0.00           C  
ATOM    228  C   VAL A  17       5.642   8.967   1.774  1.00  0.00           C  
ATOM    229  O   VAL A  17       5.789   8.375   2.844  1.00  0.00           O  
ATOM    230  CB  VAL A  17       6.145   8.395  -0.716  1.00  0.00           C  
ATOM    231  CG1 VAL A  17       6.037   9.778  -1.378  1.00  0.00           C  
ATOM    232  CG2 VAL A  17       7.612   8.088  -0.389  1.00  0.00           C  
ATOM    233  H   VAL A  17       3.505   7.649  -0.586  1.00  0.00           H  
ATOM    234  HA  VAL A  17       5.337   7.146   0.788  1.00  0.00           H  
ATOM    235  HB  VAL A  17       5.825   7.665  -1.462  1.00  0.00           H  
ATOM    236 HG11 VAL A  17       5.008  10.134  -1.373  1.00  0.00           H  
ATOM    237 HG12 VAL A  17       6.673  10.505  -0.872  1.00  0.00           H  
ATOM    238 HG13 VAL A  17       6.372   9.703  -2.413  1.00  0.00           H  
ATOM    239 HG21 VAL A  17       7.696   7.097   0.058  1.00  0.00           H  
ATOM    240 HG22 VAL A  17       8.201   8.109  -1.307  1.00  0.00           H  
ATOM    241 HG23 VAL A  17       8.016   8.826   0.304  1.00  0.00           H  
ATOM    242  N   GLU A  18       5.867  10.278   1.658  1.00  0.00           N  
ATOM    243  CA  GLU A  18       6.504  11.080   2.690  1.00  0.00           C  
ATOM    244  C   GLU A  18       5.736  11.091   4.015  1.00  0.00           C  
ATOM    245  O   GLU A  18       6.341  11.316   5.062  1.00  0.00           O  
ATOM    246  CB  GLU A  18       6.767  12.498   2.165  1.00  0.00           C  
ATOM    247  CG  GLU A  18       5.508  13.234   1.689  1.00  0.00           C  
ATOM    248  CD  GLU A  18       5.847  14.664   1.286  1.00  0.00           C  
ATOM    249  OE1 GLU A  18       6.616  14.804   0.311  1.00  0.00           O  
ATOM    250  OE2 GLU A  18       5.352  15.584   1.972  1.00  0.00           O  
ATOM    251  H   GLU A  18       5.597  10.742   0.806  1.00  0.00           H  
ATOM    252  HA  GLU A  18       7.477  10.631   2.898  1.00  0.00           H  
ATOM    253  HB2 GLU A  18       7.229  13.085   2.961  1.00  0.00           H  
ATOM    254  HB3 GLU A  18       7.468  12.451   1.330  1.00  0.00           H  
ATOM    255  HG2 GLU A  18       5.073  12.738   0.823  1.00  0.00           H  
ATOM    256  HG3 GLU A  18       4.767  13.268   2.487  1.00  0.00           H  
ATOM    257  N   VAL A  19       4.416  10.871   3.999  1.00  0.00           N  
ATOM    258  CA  VAL A  19       3.629  11.006   5.221  1.00  0.00           C  
ATOM    259  C   VAL A  19       3.915   9.895   6.241  1.00  0.00           C  
ATOM    260  O   VAL A  19       3.580  10.049   7.416  1.00  0.00           O  
ATOM    261  CB  VAL A  19       2.123  11.130   4.923  1.00  0.00           C  
ATOM    262  CG1 VAL A  19       1.845  12.258   3.920  1.00  0.00           C  
ATOM    263  CG2 VAL A  19       1.476   9.822   4.446  1.00  0.00           C  
ATOM    264  H   VAL A  19       3.953  10.669   3.115  1.00  0.00           H  
ATOM    265  HA  VAL A  19       3.923  11.945   5.695  1.00  0.00           H  
ATOM    266  HB  VAL A  19       1.633  11.403   5.860  1.00  0.00           H  
ATOM    267 HG11 VAL A  19       2.308  13.183   4.266  1.00  0.00           H  
ATOM    268 HG12 VAL A  19       2.240  12.011   2.935  1.00  0.00           H  
ATOM    269 HG13 VAL A  19       0.770  12.415   3.835  1.00  0.00           H  
ATOM    270 HG21 VAL A  19       1.641   9.021   5.165  1.00  0.00           H  
ATOM    271 HG22 VAL A  19       0.402   9.974   4.344  1.00  0.00           H  
ATOM    272 HG23 VAL A  19       1.879   9.518   3.484  1.00  0.00           H  
ATOM    273  N   CYS A  20       4.460   8.751   5.811  1.00  0.00           N  
ATOM    274  CA  CYS A  20       4.463   7.549   6.637  1.00  0.00           C  
ATOM    275  C   CYS A  20       5.530   7.592   7.742  1.00  0.00           C  
ATOM    276  O   CYS A  20       6.719   7.697   7.438  1.00  0.00           O  
ATOM    277  CB  CYS A  20       4.621   6.344   5.759  1.00  0.00           C  
ATOM    278  SG  CYS A  20       4.782   4.743   6.587  1.00  0.00           S  
ATOM    279  H   CYS A  20       4.790   8.677   4.855  1.00  0.00           H  
ATOM    280  HA  CYS A  20       3.470   7.478   7.062  1.00  0.00           H  
ATOM    281  HB2 CYS A  20       3.755   6.319   5.105  1.00  0.00           H  
ATOM    282  HB3 CYS A  20       5.518   6.489   5.157  1.00  0.00           H  
ATOM    283  N   PRO A  21       5.134   7.462   9.025  1.00  0.00           N  
ATOM    284  CA  PRO A  21       6.049   7.448  10.161  1.00  0.00           C  
ATOM    285  C   PRO A  21       7.241   6.503   9.994  1.00  0.00           C  
ATOM    286  O   PRO A  21       8.322   6.794  10.499  1.00  0.00           O  
ATOM    287  CB  PRO A  21       5.209   7.024  11.370  1.00  0.00           C  
ATOM    288  CG  PRO A  21       3.790   7.449  11.005  1.00  0.00           C  
ATOM    289  CD  PRO A  21       3.758   7.322   9.484  1.00  0.00           C  
ATOM    290  HA  PRO A  21       6.413   8.465  10.313  1.00  0.00           H  
ATOM    291  HB2 PRO A  21       5.231   5.939  11.479  1.00  0.00           H  
ATOM    292  HB3 PRO A  21       5.556   7.496  12.290  1.00  0.00           H  
ATOM    293  HG2 PRO A  21       3.037   6.818  11.481  1.00  0.00           H  
ATOM    294  HG3 PRO A  21       3.639   8.492  11.285  1.00  0.00           H  
ATOM    295  HD2 PRO A  21       3.390   6.335   9.208  1.00  0.00           H  
ATOM    296  HD3 PRO A  21       3.103   8.100   9.090  1.00  0.00           H  
ATOM    297  N   VAL A  22       7.027   5.357   9.338  1.00  0.00           N  
ATOM    298  CA  VAL A  22       8.033   4.316   9.157  1.00  0.00           C  
ATOM    299  C   VAL A  22       8.415   4.163   7.677  1.00  0.00           C  
ATOM    300  O   VAL A  22       8.873   3.092   7.289  1.00  0.00           O  
ATOM    301  CB  VAL A  22       7.529   3.000   9.788  1.00  0.00           C  
ATOM    302  CG1 VAL A  22       7.378   3.145  11.308  1.00  0.00           C  
ATOM    303  CG2 VAL A  22       6.191   2.531   9.201  1.00  0.00           C  
ATOM    304  H   VAL A  22       6.128   5.207   8.902  1.00  0.00           H  
ATOM    305  HA  VAL A  22       8.957   4.586   9.670  1.00  0.00           H  
ATOM    306  HB  VAL A  22       8.272   2.220   9.611  1.00  0.00           H  
ATOM    307 HG11 VAL A  22       8.320   3.477  11.745  1.00  0.00           H  
ATOM    308 HG12 VAL A  22       6.598   3.866  11.551  1.00  0.00           H  
ATOM    309 HG13 VAL A  22       7.111   2.181  11.743  1.00  0.00           H  
ATOM    310 HG21 VAL A  22       6.272   2.411   8.121  1.00  0.00           H  
ATOM    311 HG22 VAL A  22       5.923   1.569   9.638  1.00  0.00           H  
ATOM    312 HG23 VAL A  22       5.400   3.245   9.426  1.00  0.00           H  
ATOM    313  N   ASP A  23       8.185   5.212   6.868  1.00  0.00           N  
ATOM    314  CA  ASP A  23       8.582   5.386   5.466  1.00  0.00           C  
ATOM    315  C   ASP A  23       8.467   4.158   4.545  1.00  0.00           C  
ATOM    316  O   ASP A  23       9.057   4.124   3.467  1.00  0.00           O  
ATOM    317  CB  ASP A  23       9.949   6.091   5.377  1.00  0.00           C  
ATOM    318  CG  ASP A  23      11.153   5.170   5.562  1.00  0.00           C  
ATOM    319  OD1 ASP A  23      11.400   4.783   6.724  1.00  0.00           O  
ATOM    320  OD2 ASP A  23      11.849   4.923   4.553  1.00  0.00           O  
ATOM    321  H   ASP A  23       7.762   6.036   7.282  1.00  0.00           H  
ATOM    322  HA  ASP A  23       7.864   6.101   5.067  1.00  0.00           H  
ATOM    323  HB2 ASP A  23      10.031   6.552   4.394  1.00  0.00           H  
ATOM    324  HB3 ASP A  23      10.002   6.880   6.126  1.00  0.00           H  
ATOM    325  N   CYS A  24       7.638   3.171   4.887  1.00  0.00           N  
ATOM    326  CA  CYS A  24       7.698   1.847   4.268  1.00  0.00           C  
ATOM    327  C   CYS A  24       6.937   1.745   2.942  1.00  0.00           C  
ATOM    328  O   CYS A  24       6.492   0.660   2.561  1.00  0.00           O  
ATOM    329  CB  CYS A  24       7.232   0.779   5.257  1.00  0.00           C  
ATOM    330  SG  CYS A  24       5.448   0.900   5.533  1.00  0.00           S  
ATOM    331  H   CYS A  24       7.136   3.264   5.756  1.00  0.00           H  
ATOM    332  HA  CYS A  24       8.746   1.633   4.065  1.00  0.00           H  
ATOM    333  HB2 CYS A  24       7.457  -0.196   4.833  1.00  0.00           H  
ATOM    334  HB3 CYS A  24       7.766   0.887   6.198  1.00  0.00           H  
ATOM    335  HG  CYS A  24       5.262  -0.375   5.894  1.00  0.00           H  
ATOM    336  N   ILE A  25       6.826   2.864   2.218  1.00  0.00           N  
ATOM    337  CA  ILE A  25       6.267   2.935   0.877  1.00  0.00           C  
ATOM    338  C   ILE A  25       7.452   2.844  -0.078  1.00  0.00           C  
ATOM    339  O   ILE A  25       8.345   3.688  -0.024  1.00  0.00           O  
ATOM    340  CB  ILE A  25       5.504   4.257   0.656  1.00  0.00           C  
ATOM    341  CG1 ILE A  25       4.219   4.388   1.484  1.00  0.00           C  
ATOM    342  CG2 ILE A  25       5.073   4.384  -0.812  1.00  0.00           C  
ATOM    343  CD1 ILE A  25       4.439   4.604   2.975  1.00  0.00           C  
ATOM    344  H   ILE A  25       7.378   3.656   2.526  1.00  0.00           H  
ATOM    345  HA  ILE A  25       5.579   2.108   0.712  1.00  0.00           H  
ATOM    346  HB  ILE A  25       6.168   5.088   0.894  1.00  0.00           H  
ATOM    347 HG12 ILE A  25       3.655   5.249   1.122  1.00  0.00           H  
ATOM    348 HG13 ILE A  25       3.592   3.516   1.348  1.00  0.00           H  
ATOM    349 HG21 ILE A  25       4.483   3.512  -1.098  1.00  0.00           H  
ATOM    350 HG22 ILE A  25       4.469   5.280  -0.958  1.00  0.00           H  
ATOM    351 HG23 ILE A  25       5.943   4.464  -1.459  1.00  0.00           H  
ATOM    352 HD11 ILE A  25       5.467   4.886   3.201  1.00  0.00           H  
ATOM    353 HD12 ILE A  25       3.775   5.417   3.251  1.00  0.00           H  
ATOM    354 HD13 ILE A  25       4.167   3.709   3.535  1.00  0.00           H  
ATOM    355  N   HIS A  26       7.483   1.830  -0.943  1.00  0.00           N  
ATOM    356  CA  HIS A  26       8.593   1.582  -1.837  1.00  0.00           C  
ATOM    357  C   HIS A  26       8.059   1.289  -3.233  1.00  0.00           C  
ATOM    358  O   HIS A  26       7.017   0.657  -3.367  1.00  0.00           O  
ATOM    359  CB  HIS A  26       9.322   0.364  -1.303  1.00  0.00           C  
ATOM    360  CG  HIS A  26       9.777   0.481   0.131  1.00  0.00           C  
ATOM    361  ND1 HIS A  26      10.626   1.439   0.639  1.00  0.00           N  
ATOM    362  CD2 HIS A  26       9.358  -0.298   1.176  1.00  0.00           C  
ATOM    363  CE1 HIS A  26      10.737   1.219   1.961  1.00  0.00           C  
ATOM    364  NE2 HIS A  26       9.992   0.165   2.331  1.00  0.00           N  
ATOM    365  H   HIS A  26       6.749   1.130  -0.956  1.00  0.00           H  
ATOM    366  HA  HIS A  26       9.278   2.429  -1.880  1.00  0.00           H  
ATOM    367  HB2 HIS A  26       8.646  -0.476  -1.396  1.00  0.00           H  
ATOM    368  HB3 HIS A  26      10.160   0.186  -1.952  1.00  0.00           H  
ATOM    369  HD1 HIS A  26      11.052   2.199   0.130  1.00  0.00           H  
ATOM    370  HD2 HIS A  26       8.644  -1.107   1.128  1.00  0.00           H  
ATOM    371  HE1 HIS A  26      11.340   1.812   2.634  1.00  0.00           H  
ATOM    372  N   GLU A  27       8.756   1.731  -4.277  1.00  0.00           N  
ATOM    373  CA  GLU A  27       8.272   1.594  -5.635  1.00  0.00           C  
ATOM    374  C   GLU A  27       8.296   0.135  -6.080  1.00  0.00           C  
ATOM    375  O   GLU A  27       9.167  -0.625  -5.655  1.00  0.00           O  
ATOM    376  CB  GLU A  27       9.103   2.439  -6.603  1.00  0.00           C  
ATOM    377  CG  GLU A  27       8.997   3.950  -6.362  1.00  0.00           C  
ATOM    378  CD  GLU A  27       7.820   4.581  -7.101  1.00  0.00           C  
ATOM    379  OE1 GLU A  27       6.737   3.970  -7.189  1.00  0.00           O  
ATOM    380  OE2 GLU A  27       7.974   5.708  -7.615  1.00  0.00           O  
ATOM    381  H   GLU A  27       9.649   2.161  -4.142  1.00  0.00           H  
ATOM    382  HA  GLU A  27       7.258   1.961  -5.633  1.00  0.00           H  
ATOM    383  HB2 GLU A  27      10.146   2.125  -6.545  1.00  0.00           H  
ATOM    384  HB3 GLU A  27       8.735   2.243  -7.610  1.00  0.00           H  
ATOM    385  HG2 GLU A  27       8.928   4.178  -5.301  1.00  0.00           H  
ATOM    386  HG3 GLU A  27       9.902   4.413  -6.755  1.00  0.00           H  
ATOM    387  N   GLY A  28       7.380  -0.237  -6.977  1.00  0.00           N  
ATOM    388  CA  GLY A  28       7.529  -1.449  -7.772  1.00  0.00           C  
ATOM    389  C   GLY A  28       7.578  -1.131  -9.258  1.00  0.00           C  
ATOM    390  O   GLY A  28       8.278  -0.210  -9.672  1.00  0.00           O  
ATOM    391  H   GLY A  28       6.619   0.407  -7.205  1.00  0.00           H  
ATOM    392  HA2 GLY A  28       8.462  -1.964  -7.546  1.00  0.00           H  
ATOM    393  HA3 GLY A  28       6.713  -2.136  -7.578  1.00  0.00           H  
ATOM    394  N   GLU A  29       6.869  -1.929 -10.057  1.00  0.00           N  
ATOM    395  CA  GLU A  29       6.921  -1.897 -11.500  1.00  0.00           C  
ATOM    396  C   GLU A  29       6.471  -0.534 -12.019  1.00  0.00           C  
ATOM    397  O   GLU A  29       7.218   0.168 -12.697  1.00  0.00           O  
ATOM    398  CB  GLU A  29       6.011  -3.016 -12.030  1.00  0.00           C  
ATOM    399  CG  GLU A  29       6.464  -4.422 -11.596  1.00  0.00           C  
ATOM    400  CD  GLU A  29       5.864  -4.897 -10.279  1.00  0.00           C  
ATOM    401  OE1 GLU A  29       5.310  -4.063  -9.527  1.00  0.00           O  
ATOM    402  OE2 GLU A  29       5.939  -6.112 -10.000  1.00  0.00           O  
ATOM    403  H   GLU A  29       6.288  -2.666  -9.666  1.00  0.00           H  
ATOM    404  HA  GLU A  29       7.946  -2.077 -11.828  1.00  0.00           H  
ATOM    405  HB2 GLU A  29       4.973  -2.867 -11.730  1.00  0.00           H  
ATOM    406  HB3 GLU A  29       6.044  -2.945 -13.109  1.00  0.00           H  
ATOM    407  HG2 GLU A  29       6.144  -5.131 -12.360  1.00  0.00           H  
ATOM    408  HG3 GLU A  29       7.551  -4.463 -11.529  1.00  0.00           H  
ATOM    409  N   ASP A  30       5.218  -0.206 -11.712  1.00  0.00           N  
ATOM    410  CA  ASP A  30       4.555   1.026 -12.072  1.00  0.00           C  
ATOM    411  C   ASP A  30       4.354   1.844 -10.796  1.00  0.00           C  
ATOM    412  O   ASP A  30       5.027   2.846 -10.570  1.00  0.00           O  
ATOM    413  CB  ASP A  30       3.232   0.635 -12.739  1.00  0.00           C  
ATOM    414  CG  ASP A  30       2.291   1.819 -12.816  1.00  0.00           C  
ATOM    415  OD1 ASP A  30       2.412   2.605 -13.776  1.00  0.00           O  
ATOM    416  OD2 ASP A  30       1.467   1.908 -11.883  1.00  0.00           O  
ATOM    417  H   ASP A  30       4.674  -0.867 -11.184  1.00  0.00           H  
ATOM    418  HA  ASP A  30       5.144   1.614 -12.777  1.00  0.00           H  
ATOM    419  HB2 ASP A  30       3.442   0.255 -13.736  1.00  0.00           H  
ATOM    420  HB3 ASP A  30       2.728  -0.155 -12.182  1.00  0.00           H  
ATOM    421  N   GLN A  31       3.422   1.385  -9.963  1.00  0.00           N  
ATOM    422  CA  GLN A  31       2.996   2.051  -8.743  1.00  0.00           C  
ATOM    423  C   GLN A  31       3.948   1.738  -7.594  1.00  0.00           C  
ATOM    424  O   GLN A  31       4.826   0.875  -7.704  1.00  0.00           O  
ATOM    425  CB  GLN A  31       1.559   1.634  -8.383  1.00  0.00           C  
ATOM    426  CG  GLN A  31       1.390   0.108  -8.450  1.00  0.00           C  
ATOM    427  CD  GLN A  31       0.335  -0.467  -7.507  1.00  0.00           C  
ATOM    428  OE1 GLN A  31       0.433  -1.617  -7.088  1.00  0.00           O  
ATOM    429  NE2 GLN A  31      -0.698   0.301  -7.184  1.00  0.00           N  
ATOM    430  H   GLN A  31       2.907   0.582 -10.285  1.00  0.00           H  
ATOM    431  HA  GLN A  31       3.006   3.129  -8.893  1.00  0.00           H  
ATOM    432  HB2 GLN A  31       1.326   1.990  -7.380  1.00  0.00           H  
ATOM    433  HB3 GLN A  31       0.864   2.106  -9.078  1.00  0.00           H  
ATOM    434  HG2 GLN A  31       1.152  -0.179  -9.473  1.00  0.00           H  
ATOM    435  HG3 GLN A  31       2.332  -0.354  -8.189  1.00  0.00           H  
ATOM    436 HE21 GLN A  31      -0.735   1.264  -7.489  1.00  0.00           H  
ATOM    437 HE22 GLN A  31      -1.421  -0.063  -6.582  1.00  0.00           H  
ATOM    438  N   TYR A  32       3.706   2.395  -6.458  1.00  0.00           N  
ATOM    439  CA  TYR A  32       4.331   1.982  -5.224  1.00  0.00           C  
ATOM    440  C   TYR A  32       3.626   0.774  -4.628  1.00  0.00           C  
ATOM    441  O   TYR A  32       2.498   0.437  -4.981  1.00  0.00           O  
ATOM    442  CB  TYR A  32       4.395   3.105  -4.181  1.00  0.00           C  
ATOM    443  CG  TYR A  32       4.972   4.440  -4.607  1.00  0.00           C  
ATOM    444  CD1 TYR A  32       4.128   5.419  -5.162  1.00  0.00           C  
ATOM    445  CD2 TYR A  32       6.269   4.799  -4.191  1.00  0.00           C  
ATOM    446  CE1 TYR A  32       4.579   6.742  -5.300  1.00  0.00           C  
ATOM    447  CE2 TYR A  32       6.709   6.128  -4.309  1.00  0.00           C  
ATOM    448  CZ  TYR A  32       5.872   7.097  -4.883  1.00  0.00           C  
ATOM    449  OH  TYR A  32       6.293   8.391  -4.950  1.00  0.00           O  
ATOM    450  H   TYR A  32       2.957   3.068  -6.417  1.00  0.00           H  
ATOM    451  HA  TYR A  32       5.323   1.635  -5.471  1.00  0.00           H  
ATOM    452  HB2 TYR A  32       3.393   3.275  -3.781  1.00  0.00           H  
ATOM    453  HB3 TYR A  32       5.023   2.732  -3.372  1.00  0.00           H  
ATOM    454  HD1 TYR A  32       3.108   5.177  -5.420  1.00  0.00           H  
ATOM    455  HD2 TYR A  32       6.917   4.065  -3.736  1.00  0.00           H  
ATOM    456  HE1 TYR A  32       3.896   7.491  -5.665  1.00  0.00           H  
ATOM    457  HE2 TYR A  32       7.697   6.404  -3.973  1.00  0.00           H  
ATOM    458  HH  TYR A  32       5.722   8.941  -5.513  1.00  0.00           H  
ATOM    459  N   TYR A  33       4.338   0.151  -3.697  1.00  0.00           N  
ATOM    460  CA  TYR A  33       3.875  -0.875  -2.782  1.00  0.00           C  
ATOM    461  C   TYR A  33       4.236  -0.406  -1.373  1.00  0.00           C  
ATOM    462  O   TYR A  33       4.935   0.594  -1.199  1.00  0.00           O  
ATOM    463  CB  TYR A  33       4.572  -2.211  -3.068  1.00  0.00           C  
ATOM    464  CG  TYR A  33       4.304  -2.767  -4.450  1.00  0.00           C  
ATOM    465  CD1 TYR A  33       4.759  -2.079  -5.584  1.00  0.00           C  
ATOM    466  CD2 TYR A  33       3.460  -3.878  -4.609  1.00  0.00           C  
ATOM    467  CE1 TYR A  33       4.243  -2.385  -6.850  1.00  0.00           C  
ATOM    468  CE2 TYR A  33       2.958  -4.203  -5.877  1.00  0.00           C  
ATOM    469  CZ  TYR A  33       3.342  -3.451  -6.999  1.00  0.00           C  
ATOM    470  OH  TYR A  33       3.111  -3.986  -8.231  1.00  0.00           O  
ATOM    471  H   TYR A  33       5.271   0.520  -3.536  1.00  0.00           H  
ATOM    472  HA  TYR A  33       2.794  -0.998  -2.893  1.00  0.00           H  
ATOM    473  HB2 TYR A  33       5.635  -2.070  -2.916  1.00  0.00           H  
ATOM    474  HB3 TYR A  33       4.253  -2.945  -2.332  1.00  0.00           H  
ATOM    475  HD1 TYR A  33       5.468  -1.273  -5.481  1.00  0.00           H  
ATOM    476  HD2 TYR A  33       3.211  -4.494  -3.764  1.00  0.00           H  
ATOM    477  HE1 TYR A  33       4.560  -1.780  -7.687  1.00  0.00           H  
ATOM    478  HE2 TYR A  33       2.265  -5.020  -5.978  1.00  0.00           H  
ATOM    479  HH  TYR A  33       3.808  -3.713  -8.858  1.00  0.00           H  
ATOM    480  N   ILE A  34       3.777  -1.152  -0.373  1.00  0.00           N  
ATOM    481  CA  ILE A  34       3.954  -0.851   1.041  1.00  0.00           C  
ATOM    482  C   ILE A  34       4.395  -2.141   1.715  1.00  0.00           C  
ATOM    483  O   ILE A  34       3.863  -3.189   1.359  1.00  0.00           O  
ATOM    484  CB  ILE A  34       2.613  -0.375   1.647  1.00  0.00           C  
ATOM    485  CG1 ILE A  34       2.100   0.844   0.862  1.00  0.00           C  
ATOM    486  CG2 ILE A  34       2.770  -0.045   3.147  1.00  0.00           C  
ATOM    487  CD1 ILE A  34       0.728   1.360   1.298  1.00  0.00           C  
ATOM    488  H   ILE A  34       3.289  -2.008  -0.611  1.00  0.00           H  
ATOM    489  HA  ILE A  34       4.720  -0.083   1.146  1.00  0.00           H  
ATOM    490  HB  ILE A  34       1.880  -1.176   1.545  1.00  0.00           H  
ATOM    491 HG12 ILE A  34       2.833   1.634   0.958  1.00  0.00           H  
ATOM    492 HG13 ILE A  34       2.001   0.603  -0.195  1.00  0.00           H  
ATOM    493 HG21 ILE A  34       3.518   0.736   3.279  1.00  0.00           H  
ATOM    494 HG22 ILE A  34       1.828   0.294   3.572  1.00  0.00           H  
ATOM    495 HG23 ILE A  34       3.067  -0.915   3.732  1.00  0.00           H  
ATOM    496 HD11 ILE A  34      -0.012   0.564   1.213  1.00  0.00           H  
ATOM    497 HD12 ILE A  34       0.749   1.740   2.318  1.00  0.00           H  
ATOM    498 HD13 ILE A  34       0.446   2.176   0.632  1.00  0.00           H  
ATOM    499  N   ASP A  35       5.318  -2.096   2.680  1.00  0.00           N  
ATOM    500  CA  ASP A  35       5.527  -3.227   3.571  1.00  0.00           C  
ATOM    501  C   ASP A  35       4.457  -3.201   4.672  1.00  0.00           C  
ATOM    502  O   ASP A  35       4.533  -2.333   5.546  1.00  0.00           O  
ATOM    503  CB  ASP A  35       6.943  -3.234   4.153  1.00  0.00           C  
ATOM    504  CG  ASP A  35       7.180  -4.491   4.985  1.00  0.00           C  
ATOM    505  OD1 ASP A  35       6.281  -4.828   5.790  1.00  0.00           O  
ATOM    506  OD2 ASP A  35       8.250  -5.106   4.797  1.00  0.00           O  
ATOM    507  H   ASP A  35       5.779  -1.224   2.897  1.00  0.00           H  
ATOM    508  HA  ASP A  35       5.464  -4.122   2.978  1.00  0.00           H  
ATOM    509  HB2 ASP A  35       7.674  -3.198   3.346  1.00  0.00           H  
ATOM    510  HB3 ASP A  35       7.088  -2.363   4.781  1.00  0.00           H  
ATOM    511  N   PRO A  36       3.457  -4.105   4.663  1.00  0.00           N  
ATOM    512  CA  PRO A  36       2.379  -4.046   5.633  1.00  0.00           C  
ATOM    513  C   PRO A  36       2.803  -4.514   7.019  1.00  0.00           C  
ATOM    514  O   PRO A  36       2.054  -4.323   7.971  1.00  0.00           O  
ATOM    515  CB  PRO A  36       1.275  -4.979   5.138  1.00  0.00           C  
ATOM    516  CG  PRO A  36       1.742  -5.461   3.759  1.00  0.00           C  
ATOM    517  CD  PRO A  36       3.254  -5.248   3.786  1.00  0.00           C  
ATOM    518  HA  PRO A  36       1.988  -3.029   5.671  1.00  0.00           H  
ATOM    519  HB2 PRO A  36       1.185  -5.847   5.793  1.00  0.00           H  
ATOM    520  HB3 PRO A  36       0.337  -4.424   5.162  1.00  0.00           H  
ATOM    521  HG2 PRO A  36       1.482  -6.505   3.580  1.00  0.00           H  
ATOM    522  HG3 PRO A  36       1.328  -4.837   2.971  1.00  0.00           H  
ATOM    523  HD2 PRO A  36       3.743  -6.115   4.233  1.00  0.00           H  
ATOM    524  HD3 PRO A  36       3.609  -5.124   2.768  1.00  0.00           H  
ATOM    525  N   ASP A  37       3.926  -5.223   7.124  1.00  0.00           N  
ATOM    526  CA  ASP A  37       4.347  -5.879   8.325  1.00  0.00           C  
ATOM    527  C   ASP A  37       5.281  -4.936   9.089  1.00  0.00           C  
ATOM    528  O   ASP A  37       5.341  -4.972  10.316  1.00  0.00           O  
ATOM    529  CB  ASP A  37       4.935  -7.205   7.883  1.00  0.00           C  
ATOM    530  CG  ASP A  37       3.873  -8.206   7.414  1.00  0.00           C  
ATOM    531  OD1 ASP A  37       2.750  -8.213   7.965  1.00  0.00           O  
ATOM    532  OD2 ASP A  37       4.133  -8.943   6.439  1.00  0.00           O  
ATOM    533  H   ASP A  37       4.619  -5.338   6.387  1.00  0.00           H  
ATOM    534  HA  ASP A  37       3.521  -6.136   8.957  1.00  0.00           H  
ATOM    535  HB2 ASP A  37       5.593  -6.982   7.068  1.00  0.00           H  
ATOM    536  HB3 ASP A  37       5.530  -7.592   8.682  1.00  0.00           H  
ATOM    537  N   VAL A  38       5.953  -4.035   8.364  1.00  0.00           N  
ATOM    538  CA  VAL A  38       6.565  -2.840   8.921  1.00  0.00           C  
ATOM    539  C   VAL A  38       5.482  -1.811   9.262  1.00  0.00           C  
ATOM    540  O   VAL A  38       5.517  -1.238  10.351  1.00  0.00           O  
ATOM    541  CB  VAL A  38       7.581  -2.268   7.922  1.00  0.00           C  
ATOM    542  CG1 VAL A  38       8.024  -0.855   8.320  1.00  0.00           C  
ATOM    543  CG2 VAL A  38       8.808  -3.183   7.807  1.00  0.00           C  
ATOM    544  H   VAL A  38       5.937  -4.138   7.347  1.00  0.00           H  
ATOM    545  HA  VAL A  38       7.094  -3.097   9.840  1.00  0.00           H  
ATOM    546  HB  VAL A  38       7.100  -2.200   6.950  1.00  0.00           H  
ATOM    547 HG11 VAL A  38       8.345  -0.840   9.362  1.00  0.00           H  
ATOM    548 HG12 VAL A  38       8.853  -0.537   7.688  1.00  0.00           H  
ATOM    549 HG13 VAL A  38       7.191  -0.161   8.186  1.00  0.00           H  
ATOM    550 HG21 VAL A  38       8.503  -4.222   7.681  1.00  0.00           H  
ATOM    551 HG22 VAL A  38       9.401  -2.889   6.940  1.00  0.00           H  
ATOM    552 HG23 VAL A  38       9.421  -3.100   8.705  1.00  0.00           H  
ATOM    553  N   CYS A  39       4.561  -1.521   8.330  1.00  0.00           N  
ATOM    554  CA  CYS A  39       3.474  -0.580   8.586  1.00  0.00           C  
ATOM    555  C   CYS A  39       2.741  -0.958   9.880  1.00  0.00           C  
ATOM    556  O   CYS A  39       2.437  -2.122  10.127  1.00  0.00           O  
ATOM    557  CB  CYS A  39       2.513  -0.589   7.433  1.00  0.00           C  
ATOM    558  SG  CYS A  39       0.956   0.303   7.719  1.00  0.00           S  
ATOM    559  H   CYS A  39       4.567  -1.996   7.430  1.00  0.00           H  
ATOM    560  HA  CYS A  39       3.900   0.418   8.682  1.00  0.00           H  
ATOM    561  HB2 CYS A  39       2.998  -0.320   6.499  1.00  0.00           H  
ATOM    562  HB3 CYS A  39       2.250  -1.632   7.321  1.00  0.00           H  
ATOM    563  N   ILE A  40       2.473   0.035  10.726  1.00  0.00           N  
ATOM    564  CA  ILE A  40       2.017  -0.185  12.091  1.00  0.00           C  
ATOM    565  C   ILE A  40       0.490  -0.164  12.230  1.00  0.00           C  
ATOM    566  O   ILE A  40       0.006   0.080  13.331  1.00  0.00           O  
ATOM    567  CB  ILE A  40       2.708   0.837  13.014  1.00  0.00           C  
ATOM    568  CG1 ILE A  40       2.428   2.311  12.664  1.00  0.00           C  
ATOM    569  CG2 ILE A  40       4.224   0.588  13.031  1.00  0.00           C  
ATOM    570  CD1 ILE A  40       1.432   2.935  13.642  1.00  0.00           C  
ATOM    571  H   ILE A  40       2.724   0.970  10.449  1.00  0.00           H  
ATOM    572  HA  ILE A  40       2.334  -1.171  12.434  1.00  0.00           H  
ATOM    573  HB  ILE A  40       2.342   0.663  14.022  1.00  0.00           H  
ATOM    574 HG12 ILE A  40       3.353   2.886  12.724  1.00  0.00           H  
ATOM    575 HG13 ILE A  40       2.031   2.413  11.656  1.00  0.00           H  
ATOM    576 HG21 ILE A  40       4.429  -0.457  13.268  1.00  0.00           H  
ATOM    577 HG22 ILE A  40       4.662   0.824  12.061  1.00  0.00           H  
ATOM    578 HG23 ILE A  40       4.690   1.214  13.791  1.00  0.00           H  
ATOM    579 HD11 ILE A  40       1.769   2.791  14.669  1.00  0.00           H  
ATOM    580 HD12 ILE A  40       1.354   4.003  13.446  1.00  0.00           H  
ATOM    581 HD13 ILE A  40       0.453   2.475  13.508  1.00  0.00           H  
ATOM    582  N   ASP A  41      -0.273  -0.408  11.153  1.00  0.00           N  
ATOM    583  CA  ASP A  41      -1.711  -0.120  11.121  1.00  0.00           C  
ATOM    584  C   ASP A  41      -2.023   1.288  11.634  1.00  0.00           C  
ATOM    585  O   ASP A  41      -2.475   1.465  12.765  1.00  0.00           O  
ATOM    586  CB  ASP A  41      -2.539  -1.190  11.851  1.00  0.00           C  
ATOM    587  CG  ASP A  41      -2.739  -2.423  10.999  1.00  0.00           C  
ATOM    588  OD1 ASP A  41      -3.220  -2.289   9.850  1.00  0.00           O  
ATOM    589  OD2 ASP A  41      -2.374  -3.530  11.434  1.00  0.00           O  
ATOM    590  H   ASP A  41       0.154  -0.792  10.312  1.00  0.00           H  
ATOM    591  HA  ASP A  41      -2.012  -0.124  10.080  1.00  0.00           H  
ATOM    592  HB2 ASP A  41      -2.074  -1.457  12.800  1.00  0.00           H  
ATOM    593  HB3 ASP A  41      -3.534  -0.796  12.057  1.00  0.00           H  
ATOM    594  N   CYS A  42      -1.809   2.293  10.778  1.00  0.00           N  
ATOM    595  CA  CYS A  42      -2.088   3.688  11.086  1.00  0.00           C  
ATOM    596  C   CYS A  42      -3.024   4.277  10.025  1.00  0.00           C  
ATOM    597  O   CYS A  42      -3.275   3.638   9.007  1.00  0.00           O  
ATOM    598  CB  CYS A  42      -0.792   4.442  11.276  1.00  0.00           C  
ATOM    599  SG  CYS A  42      -0.206   5.498   9.933  1.00  0.00           S  
ATOM    600  H   CYS A  42      -1.593   2.077   9.816  1.00  0.00           H  
ATOM    601  HA  CYS A  42      -2.630   3.743  12.031  1.00  0.00           H  
ATOM    602  HB2 CYS A  42      -0.957   5.120  12.115  1.00  0.00           H  
ATOM    603  HB3 CYS A  42       0.004   3.750  11.570  1.00  0.00           H  
ATOM    604  N   GLY A  43      -3.587   5.462  10.281  1.00  0.00           N  
ATOM    605  CA  GLY A  43      -4.644   6.042   9.453  1.00  0.00           C  
ATOM    606  C   GLY A  43      -4.182   7.244   8.624  1.00  0.00           C  
ATOM    607  O   GLY A  43      -5.002   7.900   7.985  1.00  0.00           O  
ATOM    608  H   GLY A  43      -3.317   5.939  11.128  1.00  0.00           H  
ATOM    609  HA2 GLY A  43      -5.068   5.301   8.773  1.00  0.00           H  
ATOM    610  HA3 GLY A  43      -5.443   6.375  10.115  1.00  0.00           H  
ATOM    611  N   ALA A  44      -2.884   7.565   8.642  1.00  0.00           N  
ATOM    612  CA  ALA A  44      -2.385   8.776   8.000  1.00  0.00           C  
ATOM    613  C   ALA A  44      -2.519   8.673   6.479  1.00  0.00           C  
ATOM    614  O   ALA A  44      -3.268   9.424   5.852  1.00  0.00           O  
ATOM    615  CB  ALA A  44      -0.936   9.035   8.430  1.00  0.00           C  
ATOM    616  H   ALA A  44      -2.242   6.971   9.147  1.00  0.00           H  
ATOM    617  HA  ALA A  44      -2.985   9.622   8.339  1.00  0.00           H  
ATOM    618  HB1 ALA A  44      -0.890   9.150   9.513  1.00  0.00           H  
ATOM    619  HB2 ALA A  44      -0.288   8.209   8.135  1.00  0.00           H  
ATOM    620  HB3 ALA A  44      -0.576   9.952   7.962  1.00  0.00           H  
ATOM    621  N   CYS A  45      -1.785   7.728   5.888  1.00  0.00           N  
ATOM    622  CA  CYS A  45      -1.764   7.522   4.450  1.00  0.00           C  
ATOM    623  C   CYS A  45      -3.175   7.226   3.921  1.00  0.00           C  
ATOM    624  O   CYS A  45      -3.590   7.837   2.939  1.00  0.00           O  
ATOM    625  CB  CYS A  45      -0.731   6.481   4.094  1.00  0.00           C  
ATOM    626  SG  CYS A  45      -1.083   4.788   4.627  1.00  0.00           S  
ATOM    627  H   CYS A  45      -1.200   7.136   6.453  1.00  0.00           H  
ATOM    628  HA  CYS A  45      -1.443   8.459   3.993  1.00  0.00           H  
ATOM    629  HB2 CYS A  45      -0.646   6.469   3.007  1.00  0.00           H  
ATOM    630  HB3 CYS A  45       0.238   6.795   4.478  1.00  0.00           H  
ATOM    631  N   GLU A  46      -3.936   6.370   4.618  1.00  0.00           N  
ATOM    632  CA  GLU A  46      -5.344   6.080   4.333  1.00  0.00           C  
ATOM    633  C   GLU A  46      -6.122   7.359   4.002  1.00  0.00           C  
ATOM    634  O   GLU A  46      -6.821   7.428   2.990  1.00  0.00           O  
ATOM    635  CB  GLU A  46      -5.986   5.372   5.541  1.00  0.00           C  
ATOM    636  CG  GLU A  46      -7.445   4.959   5.273  1.00  0.00           C  
ATOM    637  CD  GLU A  46      -8.186   4.579   6.550  1.00  0.00           C  
ATOM    638  OE1 GLU A  46      -7.624   3.776   7.323  1.00  0.00           O  
ATOM    639  OE2 GLU A  46      -9.307   5.095   6.740  1.00  0.00           O  
ATOM    640  H   GLU A  46      -3.487   5.882   5.378  1.00  0.00           H  
ATOM    641  HA  GLU A  46      -5.387   5.412   3.470  1.00  0.00           H  
ATOM    642  HB2 GLU A  46      -5.419   4.476   5.799  1.00  0.00           H  
ATOM    643  HB3 GLU A  46      -5.979   6.043   6.400  1.00  0.00           H  
ATOM    644  HG2 GLU A  46      -8.004   5.781   4.826  1.00  0.00           H  
ATOM    645  HG3 GLU A  46      -7.465   4.115   4.583  1.00  0.00           H  
ATOM    646  N   ALA A  47      -6.026   8.359   4.884  1.00  0.00           N  
ATOM    647  CA  ALA A  47      -6.771   9.599   4.741  1.00  0.00           C  
ATOM    648  C   ALA A  47      -6.287  10.400   3.533  1.00  0.00           C  
ATOM    649  O   ALA A  47      -7.088  11.047   2.862  1.00  0.00           O  
ATOM    650  CB  ALA A  47      -6.648  10.425   6.024  1.00  0.00           C  
ATOM    651  H   ALA A  47      -5.425   8.248   5.692  1.00  0.00           H  
ATOM    652  HA  ALA A  47      -7.826   9.359   4.594  1.00  0.00           H  
ATOM    653  HB1 ALA A  47      -7.023   9.850   6.871  1.00  0.00           H  
ATOM    654  HB2 ALA A  47      -5.605  10.690   6.203  1.00  0.00           H  
ATOM    655  HB3 ALA A  47      -7.235  11.339   5.925  1.00  0.00           H  
ATOM    656  N   VAL A  48      -4.973  10.411   3.287  1.00  0.00           N  
ATOM    657  CA  VAL A  48      -4.381  11.248   2.262  1.00  0.00           C  
ATOM    658  C   VAL A  48      -4.626  10.660   0.866  1.00  0.00           C  
ATOM    659  O   VAL A  48      -4.868  11.404  -0.084  1.00  0.00           O  
ATOM    660  CB  VAL A  48      -2.905  11.501   2.615  1.00  0.00           C  
ATOM    661  CG1 VAL A  48      -1.904  10.767   1.720  1.00  0.00           C  
ATOM    662  CG2 VAL A  48      -2.606  12.999   2.663  1.00  0.00           C  
ATOM    663  H   VAL A  48      -4.336   9.842   3.831  1.00  0.00           H  
ATOM    664  HA  VAL A  48      -4.870  12.214   2.322  1.00  0.00           H  
ATOM    665  HB  VAL A  48      -2.758  11.157   3.633  1.00  0.00           H  
ATOM    666 HG11 VAL A  48      -2.101   9.697   1.780  1.00  0.00           H  
ATOM    667 HG12 VAL A  48      -1.987  11.106   0.687  1.00  0.00           H  
ATOM    668 HG13 VAL A  48      -0.890  10.956   2.070  1.00  0.00           H  
ATOM    669 HG21 VAL A  48      -3.256  13.455   3.412  1.00  0.00           H  
ATOM    670 HG22 VAL A  48      -1.570  13.157   2.958  1.00  0.00           H  
ATOM    671 HG23 VAL A  48      -2.786  13.454   1.690  1.00  0.00           H  
ATOM    672  N   CYS A  49      -4.541   9.331   0.738  1.00  0.00           N  
ATOM    673  CA  CYS A  49      -4.621   8.649  -0.544  1.00  0.00           C  
ATOM    674  C   CYS A  49      -5.984   8.908  -1.208  1.00  0.00           C  
ATOM    675  O   CYS A  49      -7.018   8.705  -0.565  1.00  0.00           O  
ATOM    676  CB  CYS A  49      -4.400   7.171  -0.353  1.00  0.00           C  
ATOM    677  SG  CYS A  49      -4.423   6.242  -1.897  1.00  0.00           S  
ATOM    678  H   CYS A  49      -4.351   8.768   1.559  1.00  0.00           H  
ATOM    679  HA  CYS A  49      -3.804   9.028  -1.149  1.00  0.00           H  
ATOM    680  HB2 CYS A  49      -3.463   6.967   0.156  1.00  0.00           H  
ATOM    681  HB3 CYS A  49      -5.195   6.795   0.285  1.00  0.00           H  
ATOM    682  N   PRO A  50      -6.030   9.359  -2.476  1.00  0.00           N  
ATOM    683  CA  PRO A  50      -7.279   9.559  -3.189  1.00  0.00           C  
ATOM    684  C   PRO A  50      -8.184   8.324  -3.101  1.00  0.00           C  
ATOM    685  O   PRO A  50      -7.823   7.243  -3.562  1.00  0.00           O  
ATOM    686  CB  PRO A  50      -6.903   9.886  -4.638  1.00  0.00           C  
ATOM    687  CG  PRO A  50      -5.460  10.385  -4.558  1.00  0.00           C  
ATOM    688  CD  PRO A  50      -4.891   9.716  -3.306  1.00  0.00           C  
ATOM    689  HA  PRO A  50      -7.773  10.428  -2.749  1.00  0.00           H  
ATOM    690  HB2 PRO A  50      -6.931   8.983  -5.249  1.00  0.00           H  
ATOM    691  HB3 PRO A  50      -7.566  10.640  -5.064  1.00  0.00           H  
ATOM    692  HG2 PRO A  50      -4.892  10.111  -5.448  1.00  0.00           H  
ATOM    693  HG3 PRO A  50      -5.453  11.467  -4.426  1.00  0.00           H  
ATOM    694  HD2 PRO A  50      -4.352   8.813  -3.585  1.00  0.00           H  
ATOM    695  HD3 PRO A  50      -4.222  10.415  -2.801  1.00  0.00           H  
ATOM    696  N   VAL A  51      -9.365   8.491  -2.497  1.00  0.00           N  
ATOM    697  CA  VAL A  51     -10.367   7.440  -2.339  1.00  0.00           C  
ATOM    698  C   VAL A  51      -9.814   6.250  -1.530  1.00  0.00           C  
ATOM    699  O   VAL A  51     -10.350   5.142  -1.601  1.00  0.00           O  
ATOM    700  CB  VAL A  51     -10.960   7.036  -3.713  1.00  0.00           C  
ATOM    701  CG1 VAL A  51     -12.359   6.418  -3.557  1.00  0.00           C  
ATOM    702  CG2 VAL A  51     -11.092   8.234  -4.670  1.00  0.00           C  
ATOM    703  H   VAL A  51      -9.566   9.389  -2.084  1.00  0.00           H  
ATOM    704  HA  VAL A  51     -11.168   7.878  -1.743  1.00  0.00           H  
ATOM    705  HB  VAL A  51     -10.307   6.302  -4.189  1.00  0.00           H  
ATOM    706 HG11 VAL A  51     -13.006   7.092  -2.995  1.00  0.00           H  
ATOM    707 HG12 VAL A  51     -12.802   6.246  -4.538  1.00  0.00           H  
ATOM    708 HG13 VAL A  51     -12.310   5.461  -3.042  1.00  0.00           H  
ATOM    709 HG21 VAL A  51     -11.637   9.044  -4.186  1.00  0.00           H  
ATOM    710 HG22 VAL A  51     -10.111   8.593  -4.982  1.00  0.00           H  
ATOM    711 HG23 VAL A  51     -11.627   7.934  -5.571  1.00  0.00           H  
ATOM    712  N   SER A  52      -8.756   6.477  -0.743  1.00  0.00           N  
ATOM    713  CA  SER A  52      -8.085   5.460   0.049  1.00  0.00           C  
ATOM    714  C   SER A  52      -7.783   4.217  -0.787  1.00  0.00           C  
ATOM    715  O   SER A  52      -8.151   3.109  -0.413  1.00  0.00           O  
ATOM    716  CB  SER A  52      -8.895   5.152   1.309  1.00  0.00           C  
ATOM    717  OG  SER A  52      -9.208   6.359   1.982  1.00  0.00           O  
ATOM    718  H   SER A  52      -8.353   7.408  -0.702  1.00  0.00           H  
ATOM    719  HA  SER A  52      -7.133   5.864   0.384  1.00  0.00           H  
ATOM    720  HB2 SER A  52      -9.813   4.635   1.034  1.00  0.00           H  
ATOM    721  HB3 SER A  52      -8.305   4.502   1.959  1.00  0.00           H  
ATOM    722  HG  SER A  52      -8.383   6.790   2.251  1.00  0.00           H  
ATOM    723  N   ALA A  53      -7.092   4.399  -1.916  1.00  0.00           N  
ATOM    724  CA  ALA A  53      -6.568   3.287  -2.707  1.00  0.00           C  
ATOM    725  C   ALA A  53      -5.736   2.355  -1.814  1.00  0.00           C  
ATOM    726  O   ALA A  53      -5.735   1.138  -1.991  1.00  0.00           O  
ATOM    727  CB  ALA A  53      -5.742   3.812  -3.891  1.00  0.00           C  
ATOM    728  H   ALA A  53      -6.857   5.347  -2.184  1.00  0.00           H  
ATOM    729  HA  ALA A  53      -7.420   2.725  -3.095  1.00  0.00           H  
ATOM    730  HB1 ALA A  53      -5.938   4.870  -4.068  1.00  0.00           H  
ATOM    731  HB2 ALA A  53      -4.677   3.672  -3.706  1.00  0.00           H  
ATOM    732  HB3 ALA A  53      -6.000   3.268  -4.797  1.00  0.00           H  
ATOM    733  N   ILE A  54      -5.040   2.932  -0.833  1.00  0.00           N  
ATOM    734  CA  ILE A  54      -4.465   2.186   0.272  1.00  0.00           C  
ATOM    735  C   ILE A  54      -5.615   1.660   1.137  1.00  0.00           C  
ATOM    736  O   ILE A  54      -6.256   2.433   1.848  1.00  0.00           O  
ATOM    737  CB  ILE A  54      -3.514   3.086   1.078  1.00  0.00           C  
ATOM    738  CG1 ILE A  54      -2.394   3.615   0.172  1.00  0.00           C  
ATOM    739  CG2 ILE A  54      -2.937   2.341   2.290  1.00  0.00           C  
ATOM    740  CD1 ILE A  54      -1.499   4.627   0.890  1.00  0.00           C  
ATOM    741  H   ILE A  54      -5.040   3.942  -0.770  1.00  0.00           H  
ATOM    742  HA  ILE A  54      -3.889   1.357  -0.135  1.00  0.00           H  
ATOM    743  HB  ILE A  54      -4.084   3.944   1.441  1.00  0.00           H  
ATOM    744 HG12 ILE A  54      -1.796   2.793  -0.223  1.00  0.00           H  
ATOM    745 HG13 ILE A  54      -2.851   4.139  -0.662  1.00  0.00           H  
ATOM    746 HG21 ILE A  54      -3.260   1.300   2.305  1.00  0.00           H  
ATOM    747 HG22 ILE A  54      -1.849   2.351   2.278  1.00  0.00           H  
ATOM    748 HG23 ILE A  54      -3.280   2.837   3.198  1.00  0.00           H  
ATOM    749 HD11 ILE A  54      -2.097   5.242   1.562  1.00  0.00           H  
ATOM    750 HD12 ILE A  54      -0.716   4.124   1.456  1.00  0.00           H  
ATOM    751 HD13 ILE A  54      -1.031   5.273   0.150  1.00  0.00           H  
ATOM    752  N   TYR A  55      -5.861   0.350   1.085  1.00  0.00           N  
ATOM    753  CA  TYR A  55      -6.882  -0.326   1.866  1.00  0.00           C  
ATOM    754  C   TYR A  55      -6.245  -1.353   2.792  1.00  0.00           C  
ATOM    755  O   TYR A  55      -5.158  -1.865   2.541  1.00  0.00           O  
ATOM    756  CB  TYR A  55      -7.915  -0.978   0.950  1.00  0.00           C  
ATOM    757  CG  TYR A  55      -8.883  -0.034   0.261  1.00  0.00           C  
ATOM    758  CD1 TYR A  55      -9.774   0.750   1.020  1.00  0.00           C  
ATOM    759  CD2 TYR A  55      -8.973  -0.021  -1.143  1.00  0.00           C  
ATOM    760  CE1 TYR A  55     -10.685   1.607   0.376  1.00  0.00           C  
ATOM    761  CE2 TYR A  55      -9.895   0.822  -1.787  1.00  0.00           C  
ATOM    762  CZ  TYR A  55     -10.696   1.689  -1.027  1.00  0.00           C  
ATOM    763  OH  TYR A  55     -11.478   2.611  -1.656  1.00  0.00           O  
ATOM    764  H   TYR A  55      -5.219  -0.234   0.556  1.00  0.00           H  
ATOM    765  HA  TYR A  55      -7.391   0.374   2.508  1.00  0.00           H  
ATOM    766  HB2 TYR A  55      -7.344  -1.524   0.209  1.00  0.00           H  
ATOM    767  HB3 TYR A  55      -8.504  -1.689   1.527  1.00  0.00           H  
ATOM    768  HD1 TYR A  55      -9.749   0.713   2.099  1.00  0.00           H  
ATOM    769  HD2 TYR A  55      -8.332  -0.653  -1.733  1.00  0.00           H  
ATOM    770  HE1 TYR A  55     -11.336   2.239   0.960  1.00  0.00           H  
ATOM    771  HE2 TYR A  55      -9.934   0.853  -2.865  1.00  0.00           H  
ATOM    772  HH  TYR A  55     -11.118   3.503  -1.552  1.00  0.00           H  
ATOM    773  N   HIS A  56      -6.927  -1.648   3.896  1.00  0.00           N  
ATOM    774  CA  HIS A  56      -6.415  -2.586   4.870  1.00  0.00           C  
ATOM    775  C   HIS A  56      -6.510  -4.005   4.315  1.00  0.00           C  
ATOM    776  O   HIS A  56      -7.489  -4.341   3.649  1.00  0.00           O  
ATOM    777  CB  HIS A  56      -7.206  -2.418   6.169  1.00  0.00           C  
ATOM    778  CG  HIS A  56      -6.649  -3.250   7.294  1.00  0.00           C  
ATOM    779  ND1 HIS A  56      -7.145  -4.456   7.731  1.00  0.00           N  
ATOM    780  CD2 HIS A  56      -5.423  -3.075   7.875  1.00  0.00           C  
ATOM    781  CE1 HIS A  56      -6.218  -5.007   8.535  1.00  0.00           C  
ATOM    782  NE2 HIS A  56      -5.139  -4.211   8.642  1.00  0.00           N  
ATOM    783  H   HIS A  56      -7.830  -1.229   4.055  1.00  0.00           H  
ATOM    784  HA  HIS A  56      -5.364  -2.345   5.037  1.00  0.00           H  
ATOM    785  HB2 HIS A  56      -7.186  -1.364   6.447  1.00  0.00           H  
ATOM    786  HB3 HIS A  56      -8.241  -2.702   5.986  1.00  0.00           H  
ATOM    787  HD1 HIS A  56      -8.044  -4.851   7.500  1.00  0.00           H  
ATOM    788  HD2 HIS A  56      -4.751  -2.255   7.679  1.00  0.00           H  
ATOM    789  HE1 HIS A  56      -6.311  -5.982   8.989  1.00  0.00           H  
ATOM    790  N   GLU A  57      -5.509  -4.842   4.597  1.00  0.00           N  
ATOM    791  CA  GLU A  57      -5.387  -6.188   4.065  1.00  0.00           C  
ATOM    792  C   GLU A  57      -6.660  -7.032   4.181  1.00  0.00           C  
ATOM    793  O   GLU A  57      -6.926  -7.862   3.316  1.00  0.00           O  
ATOM    794  CB  GLU A  57      -4.195  -6.855   4.760  1.00  0.00           C  
ATOM    795  CG  GLU A  57      -4.276  -6.919   6.281  1.00  0.00           C  
ATOM    796  CD  GLU A  57      -2.966  -7.424   6.859  1.00  0.00           C  
ATOM    797  OE1 GLU A  57      -2.616  -8.586   6.574  1.00  0.00           O  
ATOM    798  OE2 GLU A  57      -2.266  -6.629   7.516  1.00  0.00           O  
ATOM    799  H   GLU A  57      -4.728  -4.529   5.165  1.00  0.00           H  
ATOM    800  HA  GLU A  57      -5.184  -6.105   2.993  1.00  0.00           H  
ATOM    801  HB2 GLU A  57      -4.124  -7.879   4.428  1.00  0.00           H  
ATOM    802  HB3 GLU A  57      -3.284  -6.317   4.517  1.00  0.00           H  
ATOM    803  HG2 GLU A  57      -4.468  -5.932   6.681  1.00  0.00           H  
ATOM    804  HG3 GLU A  57      -5.070  -7.609   6.554  1.00  0.00           H  
ATOM    805  N   ASP A  58      -7.445  -6.824   5.236  1.00  0.00           N  
ATOM    806  CA  ASP A  58      -8.685  -7.544   5.468  1.00  0.00           C  
ATOM    807  C   ASP A  58      -9.760  -7.069   4.494  1.00  0.00           C  
ATOM    808  O   ASP A  58     -10.349  -7.869   3.763  1.00  0.00           O  
ATOM    809  CB  ASP A  58      -9.133  -7.317   6.912  1.00  0.00           C  
ATOM    810  CG  ASP A  58     -10.431  -8.063   7.174  1.00  0.00           C  
ATOM    811  OD1 ASP A  58     -10.377  -9.310   7.158  1.00  0.00           O  
ATOM    812  OD2 ASP A  58     -11.449  -7.362   7.357  1.00  0.00           O  
ATOM    813  H   ASP A  58      -7.187  -6.087   5.863  1.00  0.00           H  
ATOM    814  HA  ASP A  58      -8.516  -8.612   5.321  1.00  0.00           H  
ATOM    815  HB2 ASP A  58      -8.364  -7.676   7.594  1.00  0.00           H  
ATOM    816  HB3 ASP A  58      -9.320  -6.262   7.097  1.00  0.00           H  
ATOM    817  N   PHE A  59      -9.970  -5.747   4.480  1.00  0.00           N  
ATOM    818  CA  PHE A  59     -10.952  -5.026   3.710  1.00  0.00           C  
ATOM    819  C   PHE A  59     -10.697  -5.234   2.226  1.00  0.00           C  
ATOM    820  O   PHE A  59     -11.625  -5.261   1.422  1.00  0.00           O  
ATOM    821  CB  PHE A  59     -10.774  -3.543   4.035  1.00  0.00           C  
ATOM    822  CG  PHE A  59     -11.026  -3.065   5.457  1.00  0.00           C  
ATOM    823  CD1 PHE A  59     -11.408  -3.945   6.491  1.00  0.00           C  
ATOM    824  CD2 PHE A  59     -10.822  -1.702   5.749  1.00  0.00           C  
ATOM    825  CE1 PHE A  59     -11.509  -3.478   7.812  1.00  0.00           C  
ATOM    826  CE2 PHE A  59     -10.929  -1.235   7.070  1.00  0.00           C  
ATOM    827  CZ  PHE A  59     -11.261  -2.126   8.104  1.00  0.00           C  
ATOM    828  H   PHE A  59      -9.356  -5.131   4.981  1.00  0.00           H  
ATOM    829  HA  PHE A  59     -11.961  -5.345   3.961  1.00  0.00           H  
ATOM    830  HB2 PHE A  59      -9.763  -3.252   3.762  1.00  0.00           H  
ATOM    831  HB3 PHE A  59     -11.434  -3.013   3.373  1.00  0.00           H  
ATOM    832  HD1 PHE A  59     -11.634  -4.986   6.302  1.00  0.00           H  
ATOM    833  HD2 PHE A  59     -10.567  -1.007   4.962  1.00  0.00           H  
ATOM    834  HE1 PHE A  59     -11.786  -4.167   8.599  1.00  0.00           H  
ATOM    835  HE2 PHE A  59     -10.751  -0.191   7.291  1.00  0.00           H  
ATOM    836  HZ  PHE A  59     -11.339  -1.768   9.121  1.00  0.00           H  
ATOM    837  N   VAL A  60      -9.415  -5.332   1.873  1.00  0.00           N  
ATOM    838  CA  VAL A  60      -8.992  -5.608   0.512  1.00  0.00           C  
ATOM    839  C   VAL A  60      -9.770  -6.811  -0.035  1.00  0.00           C  
ATOM    840  O   VAL A  60      -9.752  -7.871   0.593  1.00  0.00           O  
ATOM    841  CB  VAL A  60      -7.474  -5.823   0.501  1.00  0.00           C  
ATOM    842  CG1 VAL A  60      -7.027  -6.716  -0.659  1.00  0.00           C  
ATOM    843  CG2 VAL A  60      -6.886  -4.437   0.306  1.00  0.00           C  
ATOM    844  H   VAL A  60      -8.716  -5.267   2.617  1.00  0.00           H  
ATOM    845  HA  VAL A  60      -9.200  -4.716  -0.087  1.00  0.00           H  
ATOM    846  HB  VAL A  60      -7.100  -6.232   1.442  1.00  0.00           H  
ATOM    847 HG11 VAL A  60      -7.532  -6.428  -1.577  1.00  0.00           H  
ATOM    848 HG12 VAL A  60      -5.962  -6.610  -0.821  1.00  0.00           H  
ATOM    849 HG13 VAL A  60      -7.244  -7.756  -0.431  1.00  0.00           H  
ATOM    850 HG21 VAL A  60      -7.344  -3.735   1.001  1.00  0.00           H  
ATOM    851 HG22 VAL A  60      -5.816  -4.445   0.472  1.00  0.00           H  
ATOM    852 HG23 VAL A  60      -7.123  -4.172  -0.721  1.00  0.00           H  
ATOM    853  N   PRO A  61     -10.450  -6.677  -1.184  1.00  0.00           N  
ATOM    854  CA  PRO A  61     -11.231  -7.769  -1.735  1.00  0.00           C  
ATOM    855  C   PRO A  61     -10.313  -8.950  -2.038  1.00  0.00           C  
ATOM    856  O   PRO A  61      -9.146  -8.755  -2.365  1.00  0.00           O  
ATOM    857  CB  PRO A  61     -11.908  -7.227  -2.998  1.00  0.00           C  
ATOM    858  CG  PRO A  61     -11.222  -5.894  -3.310  1.00  0.00           C  
ATOM    859  CD  PRO A  61     -10.450  -5.507  -2.047  1.00  0.00           C  
ATOM    860  HA  PRO A  61     -11.992  -8.074  -1.013  1.00  0.00           H  
ATOM    861  HB2 PRO A  61     -11.810  -7.914  -3.840  1.00  0.00           H  
ATOM    862  HB3 PRO A  61     -12.966  -7.055  -2.794  1.00  0.00           H  
ATOM    863  HG2 PRO A  61     -10.530  -6.030  -4.141  1.00  0.00           H  
ATOM    864  HG3 PRO A  61     -11.957  -5.129  -3.569  1.00  0.00           H  
ATOM    865  HD2 PRO A  61      -9.426  -5.210  -2.306  1.00  0.00           H  
ATOM    866  HD3 PRO A  61     -10.965  -4.685  -1.545  1.00  0.00           H  
ATOM    867  N   GLU A  62     -10.828 -10.174  -1.939  1.00  0.00           N  
ATOM    868  CA  GLU A  62     -10.168 -11.419  -2.226  1.00  0.00           C  
ATOM    869  C   GLU A  62      -9.400 -11.340  -3.544  1.00  0.00           C  
ATOM    870  O   GLU A  62      -8.227 -11.702  -3.607  1.00  0.00           O  
ATOM    871  CB  GLU A  62     -11.297 -12.448  -2.236  1.00  0.00           C  
ATOM    872  CG  GLU A  62     -11.601 -12.974  -0.823  1.00  0.00           C  
ATOM    873  CD  GLU A  62     -11.984 -11.862   0.143  1.00  0.00           C  
ATOM    874  OE1 GLU A  62     -12.760 -10.982  -0.289  1.00  0.00           O  
ATOM    875  OE2 GLU A  62     -11.412 -11.840   1.255  1.00  0.00           O  
ATOM    876  H   GLU A  62     -11.773 -10.348  -1.599  1.00  0.00           H  
ATOM    877  HA  GLU A  62      -9.465 -11.670  -1.436  1.00  0.00           H  
ATOM    878  HB2 GLU A  62     -12.208 -12.038  -2.677  1.00  0.00           H  
ATOM    879  HB3 GLU A  62     -10.986 -13.249  -2.867  1.00  0.00           H  
ATOM    880  HG2 GLU A  62     -12.428 -13.682  -0.874  1.00  0.00           H  
ATOM    881  HG3 GLU A  62     -10.722 -13.493  -0.439  1.00  0.00           H  
ATOM    882  N   GLU A  63     -10.055 -10.790  -4.568  1.00  0.00           N  
ATOM    883  CA  GLU A  63      -9.456 -10.451  -5.850  1.00  0.00           C  
ATOM    884  C   GLU A  63      -8.064  -9.820  -5.689  1.00  0.00           C  
ATOM    885  O   GLU A  63      -7.133 -10.190  -6.401  1.00  0.00           O  
ATOM    886  CB  GLU A  63     -10.420  -9.526  -6.598  1.00  0.00           C  
ATOM    887  CG  GLU A  63      -9.988  -9.270  -8.046  1.00  0.00           C  
ATOM    888  CD  GLU A  63     -10.965  -8.366  -8.788  1.00  0.00           C  
ATOM    889  OE1 GLU A  63     -11.890  -7.850  -8.124  1.00  0.00           O  
ATOM    890  OE2 GLU A  63     -10.761  -8.212 -10.010  1.00  0.00           O  
ATOM    891  H   GLU A  63     -11.016 -10.532  -4.405  1.00  0.00           H  
ATOM    892  HA  GLU A  63      -9.371 -11.368  -6.431  1.00  0.00           H  
ATOM    893  HB2 GLU A  63     -11.399 -10.002  -6.632  1.00  0.00           H  
ATOM    894  HB3 GLU A  63     -10.506  -8.571  -6.077  1.00  0.00           H  
ATOM    895  HG2 GLU A  63      -9.013  -8.790  -8.069  1.00  0.00           H  
ATOM    896  HG3 GLU A  63      -9.922 -10.216  -8.583  1.00  0.00           H  
ATOM    897  N   TRP A  64      -7.928  -8.876  -4.750  1.00  0.00           N  
ATOM    898  CA  TRP A  64      -6.739  -8.073  -4.484  1.00  0.00           C  
ATOM    899  C   TRP A  64      -5.976  -8.512  -3.228  1.00  0.00           C  
ATOM    900  O   TRP A  64      -4.877  -8.021  -2.975  1.00  0.00           O  
ATOM    901  CB  TRP A  64      -7.134  -6.585  -4.534  1.00  0.00           C  
ATOM    902  CG  TRP A  64      -7.659  -6.143  -5.879  1.00  0.00           C  
ATOM    903  CD1 TRP A  64      -7.402  -6.769  -7.052  1.00  0.00           C  
ATOM    904  CD2 TRP A  64      -8.574  -5.053  -6.226  1.00  0.00           C  
ATOM    905  NE1 TRP A  64      -8.137  -6.208  -8.068  1.00  0.00           N  
ATOM    906  CE2 TRP A  64      -8.899  -5.161  -7.613  1.00  0.00           C  
ATOM    907  CE3 TRP A  64      -9.165  -3.979  -5.524  1.00  0.00           C  
ATOM    908  CZ2 TRP A  64      -9.789  -4.295  -8.256  1.00  0.00           C  
ATOM    909  CZ3 TRP A  64      -9.997  -3.052  -6.184  1.00  0.00           C  
ATOM    910  CH2 TRP A  64     -10.331  -3.223  -7.538  1.00  0.00           C  
ATOM    911  H   TRP A  64      -8.727  -8.693  -4.154  1.00  0.00           H  
ATOM    912  HA  TRP A  64      -5.999  -8.227  -5.259  1.00  0.00           H  
ATOM    913  HB2 TRP A  64      -7.915  -6.408  -3.795  1.00  0.00           H  
ATOM    914  HB3 TRP A  64      -6.282  -5.968  -4.250  1.00  0.00           H  
ATOM    915  HD1 TRP A  64      -6.771  -7.630  -7.179  1.00  0.00           H  
ATOM    916  HE1 TRP A  64      -8.126  -6.550  -9.021  1.00  0.00           H  
ATOM    917  HE3 TRP A  64      -8.954  -3.850  -4.473  1.00  0.00           H  
ATOM    918  HZ2 TRP A  64     -10.017  -4.430  -9.304  1.00  0.00           H  
ATOM    919  HZ3 TRP A  64     -10.368  -2.185  -5.663  1.00  0.00           H  
ATOM    920  HH2 TRP A  64     -10.966  -2.512  -8.044  1.00  0.00           H  
ATOM    921  N   LYS A  65      -6.454  -9.525  -2.498  1.00  0.00           N  
ATOM    922  CA  LYS A  65      -5.632 -10.210  -1.499  1.00  0.00           C  
ATOM    923  C   LYS A  65      -4.339 -10.752  -2.145  1.00  0.00           C  
ATOM    924  O   LYS A  65      -3.306 -10.884  -1.482  1.00  0.00           O  
ATOM    925  CB  LYS A  65      -6.441 -11.286  -0.764  1.00  0.00           C  
ATOM    926  CG  LYS A  65      -7.424 -10.577   0.178  1.00  0.00           C  
ATOM    927  CD  LYS A  65      -8.029 -11.516   1.229  1.00  0.00           C  
ATOM    928  CE  LYS A  65      -8.512 -10.677   2.418  1.00  0.00           C  
ATOM    929  NZ  LYS A  65      -9.795  -9.984   2.171  1.00  0.00           N  
ATOM    930  H   LYS A  65      -7.370  -9.893  -2.731  1.00  0.00           H  
ATOM    931  HA  LYS A  65      -5.367  -9.497  -0.713  1.00  0.00           H  
ATOM    932  HB2 LYS A  65      -6.965 -11.948  -1.454  1.00  0.00           H  
ATOM    933  HB3 LYS A  65      -5.746 -11.881  -0.170  1.00  0.00           H  
ATOM    934  HG2 LYS A  65      -6.866  -9.805   0.707  1.00  0.00           H  
ATOM    935  HG3 LYS A  65      -8.209 -10.081  -0.390  1.00  0.00           H  
ATOM    936  HD2 LYS A  65      -8.834 -12.125   0.812  1.00  0.00           H  
ATOM    937  HD3 LYS A  65      -7.247 -12.182   1.596  1.00  0.00           H  
ATOM    938  HE2 LYS A  65      -8.627 -11.321   3.290  1.00  0.00           H  
ATOM    939  HE3 LYS A  65      -7.722  -9.953   2.613  1.00  0.00           H  
ATOM    940  HZ1 LYS A  65      -9.729  -9.361   1.375  1.00  0.00           H  
ATOM    941  HZ2 LYS A  65     -10.536 -10.658   1.977  1.00  0.00           H  
ATOM    942  HZ3 LYS A  65     -10.071  -9.392   2.954  1.00  0.00           H  
ATOM    943  N   SER A  66      -4.376 -11.033  -3.452  1.00  0.00           N  
ATOM    944  CA  SER A  66      -3.214 -11.289  -4.290  1.00  0.00           C  
ATOM    945  C   SER A  66      -2.175 -10.171  -4.154  1.00  0.00           C  
ATOM    946  O   SER A  66      -1.031 -10.421  -3.778  1.00  0.00           O  
ATOM    947  CB  SER A  66      -3.694 -11.379  -5.741  1.00  0.00           C  
ATOM    948  OG  SER A  66      -4.510 -10.250  -5.992  1.00  0.00           O  
ATOM    949  H   SER A  66      -5.245 -10.900  -3.950  1.00  0.00           H  
ATOM    950  HA  SER A  66      -2.763 -12.238  -4.001  1.00  0.00           H  
ATOM    951  HB2 SER A  66      -2.839 -11.374  -6.420  1.00  0.00           H  
ATOM    952  HB3 SER A  66      -4.261 -12.300  -5.891  1.00  0.00           H  
ATOM    953  HG  SER A  66      -5.363 -10.525  -6.363  1.00  0.00           H  
ATOM    954  N   TYR A  67      -2.561  -8.931  -4.469  1.00  0.00           N  
ATOM    955  CA  TYR A  67      -1.674  -7.781  -4.341  1.00  0.00           C  
ATOM    956  C   TYR A  67      -1.140  -7.677  -2.930  1.00  0.00           C  
ATOM    957  O   TYR A  67       0.008  -7.292  -2.744  1.00  0.00           O  
ATOM    958  CB  TYR A  67      -2.385  -6.455  -4.635  1.00  0.00           C  
ATOM    959  CG  TYR A  67      -2.657  -6.163  -6.098  1.00  0.00           C  
ATOM    960  CD1 TYR A  67      -1.643  -6.304  -7.064  1.00  0.00           C  
ATOM    961  CD2 TYR A  67      -3.936  -5.734  -6.495  1.00  0.00           C  
ATOM    962  CE1 TYR A  67      -1.935  -6.109  -8.425  1.00  0.00           C  
ATOM    963  CE2 TYR A  67      -4.221  -5.523  -7.852  1.00  0.00           C  
ATOM    964  CZ  TYR A  67      -3.226  -5.724  -8.822  1.00  0.00           C  
ATOM    965  OH  TYR A  67      -3.496  -5.529 -10.141  1.00  0.00           O  
ATOM    966  H   TYR A  67      -3.514  -8.807  -4.794  1.00  0.00           H  
ATOM    967  HA  TYR A  67      -0.808  -7.937  -4.991  1.00  0.00           H  
ATOM    968  HB2 TYR A  67      -3.328  -6.438  -4.091  1.00  0.00           H  
ATOM    969  HB3 TYR A  67      -1.777  -5.657  -4.194  1.00  0.00           H  
ATOM    970  HD1 TYR A  67      -0.636  -6.558  -6.772  1.00  0.00           H  
ATOM    971  HD2 TYR A  67      -4.704  -5.560  -5.761  1.00  0.00           H  
ATOM    972  HE1 TYR A  67      -1.162  -6.232  -9.170  1.00  0.00           H  
ATOM    973  HE2 TYR A  67      -5.214  -5.230  -8.154  1.00  0.00           H  
ATOM    974  HH  TYR A  67      -4.329  -5.040 -10.279  1.00  0.00           H  
ATOM    975  N   ILE A  68      -1.959  -7.957  -1.923  1.00  0.00           N  
ATOM    976  CA  ILE A  68      -1.495  -7.822  -0.565  1.00  0.00           C  
ATOM    977  C   ILE A  68      -0.377  -8.823  -0.294  1.00  0.00           C  
ATOM    978  O   ILE A  68       0.674  -8.465   0.243  1.00  0.00           O  
ATOM    979  CB  ILE A  68      -2.708  -7.964   0.355  1.00  0.00           C  
ATOM    980  CG1 ILE A  68      -3.490  -6.649   0.442  1.00  0.00           C  
ATOM    981  CG2 ILE A  68      -2.348  -8.437   1.765  1.00  0.00           C  
ATOM    982  CD1 ILE A  68      -3.501  -5.750  -0.809  1.00  0.00           C  
ATOM    983  H   ILE A  68      -2.948  -8.136  -2.070  1.00  0.00           H  
ATOM    984  HA  ILE A  68      -1.059  -6.828  -0.507  1.00  0.00           H  
ATOM    985  HB  ILE A  68      -3.366  -8.724  -0.060  1.00  0.00           H  
ATOM    986 HG12 ILE A  68      -4.508  -6.919   0.701  1.00  0.00           H  
ATOM    987 HG13 ILE A  68      -3.083  -6.075   1.263  1.00  0.00           H  
ATOM    988 HG21 ILE A  68      -1.606  -7.774   2.210  1.00  0.00           H  
ATOM    989 HG22 ILE A  68      -3.250  -8.439   2.374  1.00  0.00           H  
ATOM    990 HG23 ILE A  68      -1.960  -9.454   1.730  1.00  0.00           H  
ATOM    991 HD11 ILE A  68      -3.937  -6.259  -1.660  1.00  0.00           H  
ATOM    992 HD12 ILE A  68      -4.091  -4.863  -0.618  1.00  0.00           H  
ATOM    993 HD13 ILE A  68      -2.511  -5.403  -1.086  1.00  0.00           H  
ATOM    994  N   GLN A  69      -0.577 -10.072  -0.715  1.00  0.00           N  
ATOM    995  CA  GLN A  69       0.489 -11.046  -0.722  1.00  0.00           C  
ATOM    996  C   GLN A  69       1.686 -10.518  -1.516  1.00  0.00           C  
ATOM    997  O   GLN A  69       2.803 -10.664  -1.046  1.00  0.00           O  
ATOM    998  CB  GLN A  69      -0.058 -12.373  -1.249  1.00  0.00           C  
ATOM    999  CG  GLN A  69      -0.804 -13.101  -0.129  1.00  0.00           C  
ATOM   1000  CD  GLN A  69      -1.765 -14.147  -0.673  1.00  0.00           C  
ATOM   1001  OE1 GLN A  69      -1.519 -15.344  -0.581  1.00  0.00           O  
ATOM   1002  NE2 GLN A  69      -2.880 -13.693  -1.235  1.00  0.00           N  
ATOM   1003  H   GLN A  69      -1.448 -10.332  -1.169  1.00  0.00           H  
ATOM   1004  HA  GLN A  69       0.837 -11.192   0.303  1.00  0.00           H  
ATOM   1005  HB2 GLN A  69      -0.736 -12.198  -2.079  1.00  0.00           H  
ATOM   1006  HB3 GLN A  69       0.758 -12.992  -1.601  1.00  0.00           H  
ATOM   1007  HG2 GLN A  69      -0.075 -13.577   0.526  1.00  0.00           H  
ATOM   1008  HG3 GLN A  69      -1.381 -12.383   0.452  1.00  0.00           H  
ATOM   1009 HE21 GLN A  69      -3.034 -12.690  -1.292  1.00  0.00           H  
ATOM   1010 HE22 GLN A  69      -3.552 -14.352  -1.594  1.00  0.00           H  
ATOM   1011  N   LYS A  70       1.478  -9.864  -2.663  1.00  0.00           N  
ATOM   1012  CA  LYS A  70       2.557  -9.277  -3.456  1.00  0.00           C  
ATOM   1013  C   LYS A  70       3.356  -8.231  -2.674  1.00  0.00           C  
ATOM   1014  O   LYS A  70       4.578  -8.314  -2.612  1.00  0.00           O  
ATOM   1015  CB  LYS A  70       2.003  -8.691  -4.765  1.00  0.00           C  
ATOM   1016  CG  LYS A  70       3.099  -8.462  -5.814  1.00  0.00           C  
ATOM   1017  CD  LYS A  70       2.465  -7.970  -7.125  1.00  0.00           C  
ATOM   1018  CE  LYS A  70       3.509  -7.698  -8.216  1.00  0.00           C  
ATOM   1019  NZ  LYS A  70       4.251  -6.441  -7.997  1.00  0.00           N  
ATOM   1020  H   LYS A  70       0.530  -9.815  -3.019  1.00  0.00           H  
ATOM   1021  HA  LYS A  70       3.250 -10.088  -3.673  1.00  0.00           H  
ATOM   1022  HB2 LYS A  70       1.225  -9.344  -5.164  1.00  0.00           H  
ATOM   1023  HB3 LYS A  70       1.551  -7.726  -4.558  1.00  0.00           H  
ATOM   1024  HG2 LYS A  70       3.811  -7.729  -5.432  1.00  0.00           H  
ATOM   1025  HG3 LYS A  70       3.623  -9.404  -5.993  1.00  0.00           H  
ATOM   1026  HD2 LYS A  70       1.790  -8.748  -7.487  1.00  0.00           H  
ATOM   1027  HD3 LYS A  70       1.874  -7.070  -6.949  1.00  0.00           H  
ATOM   1028  HE2 LYS A  70       4.212  -8.531  -8.271  1.00  0.00           H  
ATOM   1029  HE3 LYS A  70       3.002  -7.618  -9.180  1.00  0.00           H  
ATOM   1030  HZ1 LYS A  70       4.701  -6.397  -7.096  1.00  0.00           H  
ATOM   1031  HZ2 LYS A  70       4.974  -6.354  -8.709  1.00  0.00           H  
ATOM   1032  HZ3 LYS A  70       3.658  -5.625  -8.115  1.00  0.00           H  
ATOM   1033  N   ASN A  71       2.685  -7.235  -2.090  1.00  0.00           N  
ATOM   1034  CA  ASN A  71       3.297  -6.255  -1.212  1.00  0.00           C  
ATOM   1035  C   ASN A  71       4.094  -6.937  -0.122  1.00  0.00           C  
ATOM   1036  O   ASN A  71       5.214  -6.524   0.155  1.00  0.00           O  
ATOM   1037  CB  ASN A  71       2.210  -5.387  -0.570  1.00  0.00           C  
ATOM   1038  CG  ASN A  71       1.704  -4.292  -1.492  1.00  0.00           C  
ATOM   1039  OD1 ASN A  71       1.946  -3.110  -1.268  1.00  0.00           O  
ATOM   1040  ND2 ASN A  71       0.991  -4.669  -2.545  1.00  0.00           N  
ATOM   1041  H   ASN A  71       1.689  -7.148  -2.230  1.00  0.00           H  
ATOM   1042  HA  ASN A  71       4.025  -5.675  -1.779  1.00  0.00           H  
ATOM   1043  HB2 ASN A  71       1.383  -6.024  -0.277  1.00  0.00           H  
ATOM   1044  HB3 ASN A  71       2.601  -4.927   0.331  1.00  0.00           H  
ATOM   1045 HD21 ASN A  71       0.716  -5.634  -2.680  1.00  0.00           H  
ATOM   1046 HD22 ASN A  71       0.745  -3.973  -3.226  1.00  0.00           H  
ATOM   1047  N   ARG A  72       3.550  -7.992   0.483  1.00  0.00           N  
ATOM   1048  CA  ARG A  72       4.356  -8.776   1.395  1.00  0.00           C  
ATOM   1049  C   ARG A  72       5.594  -9.297   0.659  1.00  0.00           C  
ATOM   1050  O   ARG A  72       6.716  -8.989   1.050  1.00  0.00           O  
ATOM   1051  CB  ARG A  72       3.518  -9.905   2.023  1.00  0.00           C  
ATOM   1052  CG  ARG A  72       3.338  -9.687   3.535  1.00  0.00           C  
ATOM   1053  CD  ARG A  72       1.887  -9.894   3.962  1.00  0.00           C  
ATOM   1054  NE  ARG A  72       1.669  -9.361   5.319  1.00  0.00           N  
ATOM   1055  CZ  ARG A  72       0.465  -8.991   5.785  1.00  0.00           C  
ATOM   1056  NH1 ARG A  72      -0.616  -9.275   5.057  1.00  0.00           N  
ATOM   1057  NH2 ARG A  72       0.323  -8.346   6.945  1.00  0.00           N  
ATOM   1058  H   ARG A  72       2.610  -8.301   0.252  1.00  0.00           H  
ATOM   1059  HA  ARG A  72       4.704  -8.082   2.163  1.00  0.00           H  
ATOM   1060  HB2 ARG A  72       2.547  -9.969   1.528  1.00  0.00           H  
ATOM   1061  HB3 ARG A  72       4.010 -10.862   1.861  1.00  0.00           H  
ATOM   1062  HG2 ARG A  72       3.994 -10.360   4.090  1.00  0.00           H  
ATOM   1063  HG3 ARG A  72       3.597  -8.667   3.818  1.00  0.00           H  
ATOM   1064  HD2 ARG A  72       1.265  -9.340   3.256  1.00  0.00           H  
ATOM   1065  HD3 ARG A  72       1.641 -10.957   3.926  1.00  0.00           H  
ATOM   1066  HE  ARG A  72       2.507  -9.197   5.890  1.00  0.00           H  
ATOM   1067 HH11 ARG A  72      -0.549  -9.783   4.194  1.00  0.00           H  
ATOM   1068 HH12 ARG A  72      -1.530  -9.064   5.465  1.00  0.00           H  
ATOM   1069 HH21 ARG A  72       1.164  -8.167   7.510  1.00  0.00           H  
ATOM   1070 HH22 ARG A  72      -0.596  -8.019   7.255  1.00  0.00           H  
ATOM   1071  N   ASP A  73       5.395 -10.055  -0.424  1.00  0.00           N  
ATOM   1072  CA  ASP A  73       6.435 -10.799  -1.120  1.00  0.00           C  
ATOM   1073  C   ASP A  73       7.610  -9.901  -1.461  1.00  0.00           C  
ATOM   1074  O   ASP A  73       8.765 -10.258  -1.240  1.00  0.00           O  
ATOM   1075  CB  ASP A  73       5.854 -11.454  -2.380  1.00  0.00           C  
ATOM   1076  CG  ASP A  73       6.379 -12.864  -2.633  1.00  0.00           C  
ATOM   1077  OD1 ASP A  73       6.671 -13.568  -1.638  1.00  0.00           O  
ATOM   1078  OD2 ASP A  73       6.431 -13.234  -3.823  1.00  0.00           O  
ATOM   1079  H   ASP A  73       4.461 -10.118  -0.815  1.00  0.00           H  
ATOM   1080  HA  ASP A  73       6.782 -11.556  -0.434  1.00  0.00           H  
ATOM   1081  HB2 ASP A  73       4.779 -11.517  -2.285  1.00  0.00           H  
ATOM   1082  HB3 ASP A  73       6.065 -10.837  -3.254  1.00  0.00           H  
ATOM   1083  N   PHE A  74       7.273  -8.702  -1.936  1.00  0.00           N  
ATOM   1084  CA  PHE A  74       8.203  -7.637  -2.257  1.00  0.00           C  
ATOM   1085  C   PHE A  74       9.272  -7.454  -1.178  1.00  0.00           C  
ATOM   1086  O   PHE A  74      10.446  -7.284  -1.504  1.00  0.00           O  
ATOM   1087  CB  PHE A  74       7.394  -6.352  -2.483  1.00  0.00           C  
ATOM   1088  CG  PHE A  74       7.092  -6.032  -3.933  1.00  0.00           C  
ATOM   1089  CD1 PHE A  74       6.820  -7.058  -4.861  1.00  0.00           C  
ATOM   1090  CD2 PHE A  74       7.291  -4.719  -4.388  1.00  0.00           C  
ATOM   1091  CE1 PHE A  74       6.892  -6.794  -6.240  1.00  0.00           C  
ATOM   1092  CE2 PHE A  74       7.326  -4.451  -5.762  1.00  0.00           C  
ATOM   1093  CZ  PHE A  74       7.138  -5.486  -6.693  1.00  0.00           C  
ATOM   1094  H   PHE A  74       6.276  -8.500  -2.001  1.00  0.00           H  
ATOM   1095  HA  PHE A  74       8.736  -7.903  -3.172  1.00  0.00           H  
ATOM   1096  HB2 PHE A  74       6.456  -6.389  -1.937  1.00  0.00           H  
ATOM   1097  HB3 PHE A  74       7.957  -5.527  -2.056  1.00  0.00           H  
ATOM   1098  HD1 PHE A  74       6.689  -8.076  -4.521  1.00  0.00           H  
ATOM   1099  HD2 PHE A  74       7.534  -3.928  -3.694  1.00  0.00           H  
ATOM   1100  HE1 PHE A  74       6.879  -7.615  -6.945  1.00  0.00           H  
ATOM   1101  HE2 PHE A  74       7.628  -3.469  -6.078  1.00  0.00           H  
ATOM   1102  HZ  PHE A  74       7.279  -5.289  -7.748  1.00  0.00           H  
ATOM   1103  N   PHE A  75       8.873  -7.482   0.097  1.00  0.00           N  
ATOM   1104  CA  PHE A  75       9.764  -7.262   1.228  1.00  0.00           C  
ATOM   1105  C   PHE A  75       9.988  -8.525   2.063  1.00  0.00           C  
ATOM   1106  O   PHE A  75      10.832  -8.557   2.963  1.00  0.00           O  
ATOM   1107  CB  PHE A  75       9.217  -6.091   2.041  1.00  0.00           C  
ATOM   1108  CG  PHE A  75       8.826  -4.899   1.181  1.00  0.00           C  
ATOM   1109  CD1 PHE A  75       9.797  -4.217   0.423  1.00  0.00           C  
ATOM   1110  CD2 PHE A  75       7.465  -4.641   0.952  1.00  0.00           C  
ATOM   1111  CE1 PHE A  75       9.400  -3.316  -0.582  1.00  0.00           C  
ATOM   1112  CE2 PHE A  75       7.065  -3.738  -0.044  1.00  0.00           C  
ATOM   1113  CZ  PHE A  75       8.034  -3.091  -0.828  1.00  0.00           C  
ATOM   1114  H   PHE A  75       7.892  -7.624   0.309  1.00  0.00           H  
ATOM   1115  HA  PHE A  75      10.747  -7.010   0.856  1.00  0.00           H  
ATOM   1116  HB2 PHE A  75       8.349  -6.434   2.607  1.00  0.00           H  
ATOM   1117  HB3 PHE A  75       9.964  -5.790   2.763  1.00  0.00           H  
ATOM   1118  HD1 PHE A  75      10.846  -4.430   0.567  1.00  0.00           H  
ATOM   1119  HD2 PHE A  75       6.721  -5.194   1.503  1.00  0.00           H  
ATOM   1120  HE1 PHE A  75      10.148  -2.815  -1.181  1.00  0.00           H  
ATOM   1121  HE2 PHE A  75       6.014  -3.593  -0.242  1.00  0.00           H  
ATOM   1122  HZ  PHE A  75       7.721  -2.445  -1.633  1.00  0.00           H  
ATOM   1123  N   LYS A  76       9.283  -9.595   1.716  1.00  0.00           N  
ATOM   1124  CA  LYS A  76       9.433 -10.922   2.282  1.00  0.00           C  
ATOM   1125  C   LYS A  76      10.562 -11.644   1.535  1.00  0.00           C  
ATOM   1126  O   LYS A  76      11.531 -11.024   1.093  1.00  0.00           O  
ATOM   1127  CB  LYS A  76       8.095 -11.673   2.189  1.00  0.00           C  
ATOM   1128  CG  LYS A  76       7.813 -12.763   3.236  1.00  0.00           C  
ATOM   1129  CD  LYS A  76       6.434 -13.413   3.014  1.00  0.00           C  
ATOM   1130  CE  LYS A  76       6.046 -13.773   1.562  1.00  0.00           C  
ATOM   1131  NZ  LYS A  76       7.062 -14.524   0.787  1.00  0.00           N  
ATOM   1132  H   LYS A  76       8.649  -9.464   0.940  1.00  0.00           H  
ATOM   1133  HA  LYS A  76       9.699 -10.829   3.336  1.00  0.00           H  
ATOM   1134  HB2 LYS A  76       7.279 -10.962   2.284  1.00  0.00           H  
ATOM   1135  HB3 LYS A  76       8.096 -12.114   1.203  1.00  0.00           H  
ATOM   1136  HG2 LYS A  76       8.569 -13.545   3.263  1.00  0.00           H  
ATOM   1137  HG3 LYS A  76       7.810 -12.292   4.222  1.00  0.00           H  
ATOM   1138  HD2 LYS A  76       6.362 -14.300   3.646  1.00  0.00           H  
ATOM   1139  HD3 LYS A  76       5.682 -12.702   3.367  1.00  0.00           H  
ATOM   1140  HE2 LYS A  76       5.129 -14.365   1.578  1.00  0.00           H  
ATOM   1141  HE3 LYS A  76       5.813 -12.853   1.027  1.00  0.00           H  
ATOM   1142  HZ1 LYS A  76       8.019 -14.428   1.118  1.00  0.00           H  
ATOM   1143  HZ2 LYS A  76       6.886 -15.514   0.776  1.00  0.00           H  
ATOM   1144  HZ3 LYS A  76       7.048 -14.203  -0.183  1.00  0.00           H  
ATOM   1145  N   LYS A  77      10.482 -12.969   1.525  1.00  0.00           N  
ATOM   1146  CA  LYS A  77      11.494 -13.968   1.368  1.00  0.00           C  
ATOM   1147  C   LYS A  77      10.698 -15.195   0.925  1.00  0.00           C  
ATOM   1148  O   LYS A  77       9.486 -15.198   1.266  1.00  0.00           O  
ATOM   1149  CB  LYS A  77      12.064 -14.246   2.763  1.00  0.00           C  
ATOM   1150  CG  LYS A  77      12.486 -13.003   3.562  1.00  0.00           C  
ATOM   1151  CD  LYS A  77      13.692 -12.309   2.911  1.00  0.00           C  
ATOM   1152  CE  LYS A  77      13.958 -10.894   3.455  1.00  0.00           C  
ATOM   1153  NZ  LYS A  77      13.063  -9.874   2.864  1.00  0.00           N  
ATOM   1154  OXT LYS A  77      11.292 -16.091   0.294  1.00  0.00           O  
ATOM   1155  H   LYS A  77       9.654 -13.465   1.797  1.00  0.00           H  
ATOM   1156  HA  LYS A  77      12.247 -13.691   0.630  1.00  0.00           H  
ATOM   1157  HB2 LYS A  77      11.301 -14.758   3.352  1.00  0.00           H  
ATOM   1158  HB3 LYS A  77      12.887 -14.931   2.633  1.00  0.00           H  
ATOM   1159  HG2 LYS A  77      11.624 -12.343   3.672  1.00  0.00           H  
ATOM   1160  HG3 LYS A  77      12.770 -13.328   4.563  1.00  0.00           H  
ATOM   1161  HD2 LYS A  77      14.567 -12.931   3.106  1.00  0.00           H  
ATOM   1162  HD3 LYS A  77      13.574 -12.266   1.828  1.00  0.00           H  
ATOM   1163  HE2 LYS A  77      13.893 -10.879   4.545  1.00  0.00           H  
ATOM   1164  HE3 LYS A  77      14.977 -10.631   3.168  1.00  0.00           H  
ATOM   1165  HZ1 LYS A  77      12.747 -10.173   1.943  1.00  0.00           H  
ATOM   1166  HZ2 LYS A  77      12.204  -9.704   3.384  1.00  0.00           H  
ATOM   1167  HZ3 LYS A  77      13.524  -8.982   2.774  1.00  0.00           H  
TER    1168      LYS A  77                                                      
HETATM 1169 FE1  F3S A  78      -0.998   5.532  -4.938  1.00  0.00          FE  
HETATM 1170 FE3  F3S A  78      -2.616   6.461  -3.113  1.00  0.00          FE  
HETATM 1171 FE4  F3S A  78      -0.132   6.554  -2.691  1.00  0.00          FE  
HETATM 1172  S1  F3S A  78      -2.797   6.824  -5.189  1.00  0.00           S  
HETATM 1173  S2  F3S A  78       0.728   7.069  -4.668  1.00  0.00           S  
HETATM 1174  S3  F3S A  78      -1.272   4.792  -2.834  1.00  0.00           S  
HETATM 1175  S4  F3S A  78      -1.420   8.351  -2.397  1.00  0.00           S  
HETATM 1176 FE1  SF4 A  79       2.819   4.206   6.851  1.00  0.00          FE  
HETATM 1177 FE2  SF4 A  79       1.249   2.293   7.340  1.00  0.00          FE  
HETATM 1178 FE3  SF4 A  79       0.749   4.525   8.302  1.00  0.00          FE  
HETATM 1179 FE4  SF4 A  79       0.418   4.146   5.855  1.00  0.00          FE  
HETATM 1180  S1  SF4 A  79      -0.739   3.153   7.278  1.00  0.00           S  
HETATM 1181  S2  SF4 A  79       1.343   5.837   6.832  1.00  0.00           S  
HETATM 1182  S3  SF4 A  79       2.014   2.716   5.339  1.00  0.00           S  
HETATM 1183  S4  SF4 A  79       2.413   3.220   8.847  1.00  0.00           S  
CONECT  116 1169                                                                
CONECT  221 1171                                                                
CONECT  278 1176                                                                
CONECT  558 1177                                                                
CONECT  599 1178                                                                
CONECT  626 1179                                                                
CONECT  677 1170                                                                
CONECT 1169  116 1172 1173 1174                                                 
CONECT 1170  677 1172 1174 1175                                                 
CONECT 1171  221 1173 1174 1175                                                 
CONECT 1172 1169 1170                                                           
CONECT 1173 1169 1171                                                           
CONECT 1174 1169 1170 1171                                                      
CONECT 1175 1170 1171                                                           
CONECT 1176  278 1181 1182 1183                                                 
CONECT 1177  558 1180 1182 1183                                                 
CONECT 1178  599 1180 1181 1183                                                 
CONECT 1179  626 1180 1181 1182                                                 
CONECT 1180 1177 1178 1179                                                      
CONECT 1181 1176 1178 1179                                                      
CONECT 1182 1176 1177 1179                                                      
CONECT 1183 1176 1177 1178                                                      
MASTER      212    0    2    5    4    0    4    6  625    1   22    6          
END