HEADER    ELECTRON TRANSPORT                      20-AUG-98   1BQX              
TITLE     ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS SCHLEGELII  
TITLE    2 FE7S8 FERREDOXIN                                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (FERREDOXIN);                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MUTATION: 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_PLASMID: PKKFD D13C                                
KEYWDS    IRON-SULFUR PROTEIN, ELECTRON TRANSPORT                               
EXPDTA    SOLUTION NMR                                                          
AUTHOR    S.AONO,D.BENTROP,I.BERTINI,G.COSENZA,C.LUCHINAT                       
REVDAT   5   03-NOV-21 1BQX    1       REMARK SEQADV LINK                       
REVDAT   4   06-FEB-19 1BQX    1       REMARK ATOM                              
REVDAT   3   24-FEB-09 1BQX    1       VERSN                                    
REVDAT   2   29-DEC-99 1BQX    4       HEADER COMPND REMARK JRNL                
REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
REVDAT   1   26-AUG-98 1BQX    0                                                
JRNL        AUTH   S.AONO,D.BENTROP,I.BERTINI,G.COSENZA,C.LUCHINAT              
JRNL        TITL   SOLUTION STRUCTURE OF AN ARTIFICIAL FE8S8 FERREDOXIN: THE    
JRNL        TITL 2 D13C VARIANT OF BACILLUS SCHLEGELII FE7S8 FERREDOXIN.        
JRNL        REF    EUR.J.BIOCHEM.                V. 258   502 1998              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   9874217                                                      
JRNL        DOI    10.1046/J.1432-1327.1998.2580502.X                           
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.AONO,D.BENTROP,I.BERTINI,C.LUCHINAT,R.MACINAI              
REMARK   1  TITL   THE D13C VARIANT OF BACILLUS SCHLEGELII 7FE FERREDOXIN IS AN 
REMARK   1  TITL 2 8FE FERREDOXIN AS REVEALED BY 1H-NMR SPECTROSCOPY            
REMARK   1  REF    FEBS LETT.                    V. 412   501 1997              
REMARK   1  REFN                   ISSN 0014-5793                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 4.1                                            
REMARK   3   AUTHORS     : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,                
REMARK   3                 FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE CALCULATIONS WERE CARRIED OUT WITH THE TORSION ANGLE  
REMARK   3  DYNAMICS                                                            
REMARK   3  PROGRAM DYANA (BY GUENTERT,MUMENTHALER,WUETHRICH). THE 20           
REMARK   3  STRUCTURES OF THE                                                   
REMARK   3  DYANA FAMILY WITH THE LOWEST TARGET FUNCTION VALUES WERE REFINED    
REMARK   3  BY RESTRAINED                                                       
REMARK   3  ENERGY MINIMIZATION(REM) AND RESTRAINED MOLECULAR DYNAMICS (RMD)    
REMARK   3  IN VACUO. THE                                                       
REMARK   3  STRUCTURE IN THIS ENTRY REPRESENTS THE MINIMIZED AVERAGE STRUCTURE  
REMARK   3  OF THE RMD                                                          
REMARK   3  FAMILY. REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. 
REMARK   4                                                                      
REMARK   4 1BQX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.                               
REMARK 100 THE DEPOSITION ID IS D_1000008319.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20 MM                              
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; COSY; TOCSY; 1D-NOE         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ; 800 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE500; AVANCE600; AVANCE800    
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA, AMBER                       
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   RESTRAINED ENERGY MINIMIZATION,    
REMARK 210                                   RESTRAINED MOLECULAR DYNAMICS      
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 500                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LEAST RESTRAINT VIOLATIONS         
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK:                                                              
REMARK 210  MINIMIZED AVERAGE STRUCTURE. THE STRUCTURE WAS DETERMINED USING 1H  
REMARK 210  NMR                                                                 
REMARK 210  SPECTROSCOPY. EXPERIMENTAL DETAILS CAN BE FOUND IN THE JRNL         
REMARK 210  CITATION ABOVE.                                                     
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    THR A   5      -97.71   -143.92                                   
REMARK 500    GLU A   6      -52.54   -127.18                                   
REMARK 500    PRO A   7       31.35    -70.37                                   
REMARK 500    THR A  11       84.85     15.48                                   
REMARK 500    LYS A  12       58.38     75.99                                   
REMARK 500    SER A  15      -57.44   -155.84                                   
REMARK 500    VAL A  17      -92.22   -126.74                                   
REMARK 500    GLU A  18       32.18    -75.69                                   
REMARK 500    ASP A  23       61.96     36.71                                   
REMARK 500    GLU A  29      -61.84     65.24                                   
REMARK 500    ILE A  40       38.60    -90.99                                   
REMARK 500    PRO A  50       26.02    -75.15                                   
REMARK 500    SER A  52       98.48     63.12                                   
REMARK 500    ALA A  53      -21.37   -154.43                                   
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  33         0.10    SIDE CHAIN                              
REMARK 500    TYR A  55         0.21    SIDE CHAIN                              
REMARK 500    ARG A  72         0.15    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  78  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   8   SG                                                     
REMARK 620 2 SF4 A  78   S2  110.8                                              
REMARK 620 3 SF4 A  78   S3  120.0 106.0                                        
REMARK 620 4 SF4 A  78   S4  114.5 103.2 100.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  78  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  13   SG                                                     
REMARK 620 2 SF4 A  78   S1  105.6                                              
REMARK 620 3 SF4 A  78   S3  114.8 103.0                                        
REMARK 620 4 SF4 A  78   S4  111.3 113.1 108.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  78  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  16   SG                                                     
REMARK 620 2 SF4 A  78   S1  108.8                                              
REMARK 620 3 SF4 A  78   S2  121.8 102.6                                        
REMARK 620 4 SF4 A  78   S4  105.8 107.0 110.0                                  
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  116.4                                              
REMARK 620 3 SF4 A  79   S3  117.0 103.4                                        
REMARK 620 4 SF4 A  79   S4  112.9 102.6 102.5                                  
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  105.5                                              
REMARK 620 3 SF4 A  79   S3  114.2 103.7                                        
REMARK 620 4 SF4 A  79   S4  111.7 110.9 110.4                                  
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  108.1                                              
REMARK 620 3 SF4 A  79   S2  112.9 103.8                                        
REMARK 620 4 SF4 A  79   S4  114.5 105.4 111.2                                  
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   99.2                                              
REMARK 620 3 SF4 A  79   S2  110.2 106.6                                        
REMARK 620 4 SF4 A  79   S3  125.5 106.4 107.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A  78  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  49   SG                                                     
REMARK 620 2 SF4 A  78   S1  107.6                                              
REMARK 620 3 SF4 A  78   S2  110.2 105.7                                        
REMARK 620 4 SF4 A  78   S3  117.4 105.2 109.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 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  1BQX A    1    77  UNP    Q45560   FER_BACSC        1     77             
SEQADV 1BQX CYS A   13  UNP  Q45560    ASP    13 ENGINEERED MUTATION            
SEQRES   1 A   77  ALA TYR VAL ILE THR GLU PRO CYS ILE GLY THR LYS CYS          
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    SF4  A  78       8                                                       
HET    SF4  A  79       8                                                       
HETNAM     SF4 IRON/SULFUR CLUSTER                                              
FORMUL   2  SF4    2(FE4 S4)                                                    
HELIX    1   1 ALA A   44  VAL A   48  1                                   5    
HELIX    2   2 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           
LINK         SG  CYS A   8                FE1  SF4 A  78     1555   1555  2.03  
LINK         SG  CYS A  13                FE2  SF4 A  78     1555   1555  2.05  
LINK         SG  CYS A  16                FE3  SF4 A  78     1555   1555  2.10  
LINK         SG  CYS A  20                FE1  SF4 A  79     1555   1555  2.07  
LINK         SG  CYS A  39                FE2  SF4 A  79     1555   1555  2.05  
LINK         SG  CYS A  42                FE3  SF4 A  79     1555   1555  2.10  
LINK         SG  CYS A  45                FE4  SF4 A  79     1555   1555  2.04  
LINK         SG  CYS A  49                FE4  SF4 A  78     1555   1555  2.03  
SITE     1 AC1  7 CYS A   8  CYS A  13  SER A  15  CYS A  16                    
SITE     2 AC1  7 TYR A  32  CYS A  49  ILE A  54                               
SITE     1 AC2  7 CYS A  20  CYS A  24  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      -6.596   2.667   7.709  1.00  0.00           N  
ATOM      2  CA  ALA A   1      -6.143   2.601   6.315  1.00  0.00           C  
ATOM      3  C   ALA A   1      -5.360   1.323   6.030  1.00  0.00           C  
ATOM      4  O   ALA A   1      -4.785   0.730   6.944  1.00  0.00           O  
ATOM      5  CB  ALA A   1      -5.323   3.829   5.987  1.00  0.00           C  
ATOM      6  H1  ALA A   1      -6.311   1.856   8.239  1.00  0.00           H  
ATOM      7  H2  ALA A   1      -6.281   3.368   8.364  1.00  0.00           H  
ATOM      8  H3  ALA A   1      -7.569   2.665   7.979  1.00  0.00           H  
ATOM      9  HA  ALA A   1      -7.012   2.631   5.658  1.00  0.00           H  
ATOM     10  HB1 ALA A   1      -5.927   4.705   6.224  1.00  0.00           H  
ATOM     11  HB2 ALA A   1      -4.406   3.843   6.571  1.00  0.00           H  
ATOM     12  HB3 ALA A   1      -5.094   3.812   4.926  1.00  0.00           H  
ATOM     13  N   TYR A   2      -5.342   0.903   4.761  1.00  0.00           N  
ATOM     14  CA  TYR A   2      -4.696  -0.319   4.300  1.00  0.00           C  
ATOM     15  C   TYR A   2      -3.362   0.017   3.650  1.00  0.00           C  
ATOM     16  O   TYR A   2      -3.266   1.010   2.935  1.00  0.00           O  
ATOM     17  CB  TYR A   2      -5.611  -1.050   3.313  1.00  0.00           C  
ATOM     18  CG  TYR A   2      -6.678  -1.892   3.977  1.00  0.00           C  
ATOM     19  CD1 TYR A   2      -7.738  -1.272   4.662  1.00  0.00           C  
ATOM     20  CD2 TYR A   2      -6.592  -3.297   3.943  1.00  0.00           C  
ATOM     21  CE1 TYR A   2      -8.706  -2.051   5.316  1.00  0.00           C  
ATOM     22  CE2 TYR A   2      -7.574  -4.076   4.578  1.00  0.00           C  
ATOM     23  CZ  TYR A   2      -8.639  -3.452   5.249  1.00  0.00           C  
ATOM     24  OH  TYR A   2      -9.595  -4.212   5.854  1.00  0.00           O  
ATOM     25  H   TYR A   2      -5.753   1.493   4.047  1.00  0.00           H  
ATOM     26  HA  TYR A   2      -4.496  -0.975   5.142  1.00  0.00           H  
ATOM     27  HB2 TYR A   2      -6.081  -0.323   2.650  1.00  0.00           H  
ATOM     28  HB3 TYR A   2      -5.003  -1.703   2.690  1.00  0.00           H  
ATOM     29  HD1 TYR A   2      -7.821  -0.196   4.683  1.00  0.00           H  
ATOM     30  HD2 TYR A   2      -5.787  -3.786   3.414  1.00  0.00           H  
ATOM     31  HE1 TYR A   2      -9.519  -1.557   5.830  1.00  0.00           H  
ATOM     32  HE2 TYR A   2      -7.528  -5.153   4.519  1.00  0.00           H  
ATOM     33  HH  TYR A   2     -10.305  -3.679   6.216  1.00  0.00           H  
ATOM     34  N   VAL A   3      -2.334  -0.789   3.926  1.00  0.00           N  
ATOM     35  CA  VAL A   3      -0.964  -0.510   3.510  1.00  0.00           C  
ATOM     36  C   VAL A   3      -0.257  -1.773   3.002  1.00  0.00           C  
ATOM     37  O   VAL A   3      -0.478  -2.872   3.515  1.00  0.00           O  
ATOM     38  CB  VAL A   3      -0.201   0.152   4.672  1.00  0.00           C  
ATOM     39  CG1 VAL A   3       1.130   0.723   4.178  1.00  0.00           C  
ATOM     40  CG2 VAL A   3      -0.990   1.330   5.252  1.00  0.00           C  
ATOM     41  H   VAL A   3      -2.495  -1.563   4.567  1.00  0.00           H  
ATOM     42  HA  VAL A   3      -0.993   0.197   2.680  1.00  0.00           H  
ATOM     43  HB  VAL A   3      -0.024  -0.579   5.463  1.00  0.00           H  
ATOM     44 HG11 VAL A   3       0.945   1.369   3.321  1.00  0.00           H  
ATOM     45 HG12 VAL A   3       1.598   1.305   4.966  1.00  0.00           H  
ATOM     46 HG13 VAL A   3       1.815  -0.068   3.893  1.00  0.00           H  
ATOM     47 HG21 VAL A   3      -1.240   2.010   4.438  1.00  0.00           H  
ATOM     48 HG22 VAL A   3      -1.903   0.990   5.739  1.00  0.00           H  
ATOM     49 HG23 VAL A   3      -0.390   1.861   5.991  1.00  0.00           H  
ATOM     50  N   ILE A   4       0.590  -1.597   1.977  1.00  0.00           N  
ATOM     51  CA  ILE A   4       1.498  -2.594   1.435  1.00  0.00           C  
ATOM     52  C   ILE A   4       2.577  -2.944   2.462  1.00  0.00           C  
ATOM     53  O   ILE A   4       2.690  -2.269   3.484  1.00  0.00           O  
ATOM     54  CB  ILE A   4       2.122  -2.034   0.140  1.00  0.00           C  
ATOM     55  CG1 ILE A   4       3.043  -0.810   0.326  1.00  0.00           C  
ATOM     56  CG2 ILE A   4       1.034  -1.657  -0.875  1.00  0.00           C  
ATOM     57  CD1 ILE A   4       4.465  -1.134   0.800  1.00  0.00           C  
ATOM     58  H   ILE A   4       0.718  -0.674   1.598  1.00  0.00           H  
ATOM     59  HA  ILE A   4       0.933  -3.497   1.201  1.00  0.00           H  
ATOM     60  HB  ILE A   4       2.700  -2.832  -0.308  1.00  0.00           H  
ATOM     61 HG12 ILE A   4       3.157  -0.341  -0.649  1.00  0.00           H  
ATOM     62 HG13 ILE A   4       2.590  -0.079   0.994  1.00  0.00           H  
ATOM     63 HG21 ILE A   4       0.310  -2.464  -0.965  1.00  0.00           H  
ATOM     64 HG22 ILE A   4       0.522  -0.746  -0.569  1.00  0.00           H  
ATOM     65 HG23 ILE A   4       1.487  -1.490  -1.853  1.00  0.00           H  
ATOM     66 HD11 ILE A   4       4.851  -2.003   0.267  1.00  0.00           H  
ATOM     67 HD12 ILE A   4       5.105  -0.276   0.597  1.00  0.00           H  
ATOM     68 HD13 ILE A   4       4.502  -1.322   1.870  1.00  0.00           H  
ATOM     69  N   THR A   5       3.407  -3.958   2.192  1.00  0.00           N  
ATOM     70  CA  THR A   5       4.526  -4.268   3.076  1.00  0.00           C  
ATOM     71  C   THR A   5       5.776  -4.744   2.335  1.00  0.00           C  
ATOM     72  O   THR A   5       6.562  -3.929   1.862  1.00  0.00           O  
ATOM     73  CB  THR A   5       4.101  -5.268   4.165  1.00  0.00           C  
ATOM     74  OG1 THR A   5       3.523  -6.423   3.583  1.00  0.00           O  
ATOM     75  CG2 THR A   5       3.123  -4.651   5.159  1.00  0.00           C  
ATOM     76  H   THR A   5       3.313  -4.480   1.333  1.00  0.00           H  
ATOM     77  HA  THR A   5       4.852  -3.358   3.583  1.00  0.00           H  
ATOM     78  HB  THR A   5       4.990  -5.560   4.729  1.00  0.00           H  
ATOM     79  HG1 THR A   5       2.609  -6.229   3.345  1.00  0.00           H  
ATOM     80 HG21 THR A   5       3.536  -3.707   5.524  1.00  0.00           H  
ATOM     81 HG22 THR A   5       2.154  -4.470   4.697  1.00  0.00           H  
ATOM     82 HG23 THR A   5       2.987  -5.344   5.987  1.00  0.00           H  
ATOM     83  N   GLU A   6       5.954  -6.066   2.276  1.00  0.00           N  
ATOM     84  CA  GLU A   6       7.187  -6.722   1.868  1.00  0.00           C  
ATOM     85  C   GLU A   6       7.003  -7.761   0.751  1.00  0.00           C  
ATOM     86  O   GLU A   6       7.619  -7.575  -0.301  1.00  0.00           O  
ATOM     87  CB  GLU A   6       7.880  -7.150   3.161  1.00  0.00           C  
ATOM     88  CG  GLU A   6       9.207  -7.860   2.968  1.00  0.00           C  
ATOM     89  CD  GLU A   6      10.127  -7.582   4.153  1.00  0.00           C  
ATOM     90  OE1 GLU A   6      10.637  -6.442   4.200  1.00  0.00           O  
ATOM     91  OE2 GLU A   6      10.232  -8.456   5.040  1.00  0.00           O  
ATOM     92  H   GLU A   6       5.211  -6.634   2.670  1.00  0.00           H  
ATOM     93  HA  GLU A   6       7.887  -6.010   1.435  1.00  0.00           H  
ATOM     94  HB2 GLU A   6       8.108  -6.228   3.688  1.00  0.00           H  
ATOM     95  HB3 GLU A   6       7.231  -7.727   3.806  1.00  0.00           H  
ATOM     96  HG2 GLU A   6       9.017  -8.914   2.820  1.00  0.00           H  
ATOM     97  HG3 GLU A   6       9.671  -7.476   2.073  1.00  0.00           H  
ATOM     98  N   PRO A   7       6.099  -8.759   0.837  1.00  0.00           N  
ATOM     99  CA  PRO A   7       5.790  -9.647  -0.288  1.00  0.00           C  
ATOM    100  C   PRO A   7       5.014  -8.960  -1.432  1.00  0.00           C  
ATOM    101  O   PRO A   7       4.227  -9.593  -2.131  1.00  0.00           O  
ATOM    102  CB  PRO A   7       5.022 -10.845   0.296  1.00  0.00           C  
ATOM    103  CG  PRO A   7       4.851 -10.567   1.789  1.00  0.00           C  
ATOM    104  CD  PRO A   7       5.373  -9.152   2.026  1.00  0.00           C  
ATOM    105  HA  PRO A   7       6.730 -10.001  -0.715  1.00  0.00           H  
ATOM    106  HB2 PRO A   7       4.037 -10.970  -0.155  1.00  0.00           H  
ATOM    107  HB3 PRO A   7       5.597 -11.760   0.150  1.00  0.00           H  
ATOM    108  HG2 PRO A   7       3.803 -10.643   2.086  1.00  0.00           H  
ATOM    109  HG3 PRO A   7       5.444 -11.286   2.355  1.00  0.00           H  
ATOM    110  HD2 PRO A   7       4.538  -8.478   2.207  1.00  0.00           H  
ATOM    111  HD3 PRO A   7       6.040  -9.177   2.878  1.00  0.00           H  
ATOM    112  N   CYS A   8       5.258  -7.665  -1.624  1.00  0.00           N  
ATOM    113  CA  CYS A   8       4.768  -6.791  -2.666  1.00  0.00           C  
ATOM    114  C   CYS A   8       5.928  -6.289  -3.547  1.00  0.00           C  
ATOM    115  O   CYS A   8       5.723  -6.026  -4.733  1.00  0.00           O  
ATOM    116  CB  CYS A   8       4.065  -5.647  -1.982  1.00  0.00           C  
ATOM    117  SG  CYS A   8       3.888  -4.144  -2.959  1.00  0.00           S  
ATOM    118  H   CYS A   8       5.900  -7.232  -0.991  1.00  0.00           H  
ATOM    119  HA  CYS A   8       4.071  -7.344  -3.289  1.00  0.00           H  
ATOM    120  HB2 CYS A   8       3.089  -5.972  -1.619  1.00  0.00           H  
ATOM    121  HB3 CYS A   8       4.665  -5.355  -1.117  1.00  0.00           H  
ATOM    122  N   ILE A   9       7.135  -6.142  -2.980  1.00  0.00           N  
ATOM    123  CA  ILE A   9       8.314  -5.684  -3.700  1.00  0.00           C  
ATOM    124  C   ILE A   9       8.586  -6.630  -4.873  1.00  0.00           C  
ATOM    125  O   ILE A   9       8.505  -7.848  -4.711  1.00  0.00           O  
ATOM    126  CB  ILE A   9       9.482  -5.544  -2.697  1.00  0.00           C  
ATOM    127  CG1 ILE A   9       9.355  -4.214  -1.928  1.00  0.00           C  
ATOM    128  CG2 ILE A   9      10.860  -5.606  -3.372  1.00  0.00           C  
ATOM    129  CD1 ILE A   9       8.695  -4.382  -0.562  1.00  0.00           C  
ATOM    130  H   ILE A   9       7.300  -6.456  -2.034  1.00  0.00           H  
ATOM    131  HA  ILE A   9       8.093  -4.712  -4.136  1.00  0.00           H  
ATOM    132  HB  ILE A   9       9.444  -6.361  -1.971  1.00  0.00           H  
ATOM    133 HG12 ILE A   9      10.336  -3.782  -1.752  1.00  0.00           H  
ATOM    134 HG13 ILE A   9       8.782  -3.497  -2.506  1.00  0.00           H  
ATOM    135 HG21 ILE A   9      10.955  -4.817  -4.116  1.00  0.00           H  
ATOM    136 HG22 ILE A   9      11.641  -5.479  -2.621  1.00  0.00           H  
ATOM    137 HG23 ILE A   9      11.011  -6.575  -3.847  1.00  0.00           H  
ATOM    138 HD11 ILE A   9       9.302  -5.060   0.038  1.00  0.00           H  
ATOM    139 HD12 ILE A   9       8.647  -3.417  -0.057  1.00  0.00           H  
ATOM    140 HD13 ILE A   9       7.684  -4.773  -0.672  1.00  0.00           H  
ATOM    141  N   GLY A  10       8.866  -6.080  -6.059  1.00  0.00           N  
ATOM    142  CA  GLY A  10       8.927  -6.875  -7.275  1.00  0.00           C  
ATOM    143  C   GLY A  10       8.821  -6.019  -8.534  1.00  0.00           C  
ATOM    144  O   GLY A  10       7.878  -6.168  -9.307  1.00  0.00           O  
ATOM    145  H   GLY A  10       9.046  -5.071  -6.114  1.00  0.00           H  
ATOM    146  HA2 GLY A  10       9.871  -7.420  -7.295  1.00  0.00           H  
ATOM    147  HA3 GLY A  10       8.109  -7.598  -7.280  1.00  0.00           H  
ATOM    148  N   THR A  11       9.824  -5.166  -8.744  1.00  0.00           N  
ATOM    149  CA  THR A  11      10.122  -4.370  -9.924  1.00  0.00           C  
ATOM    150  C   THR A  11       8.996  -4.222 -10.955  1.00  0.00           C  
ATOM    151  O   THR A  11       8.959  -4.901 -11.979  1.00  0.00           O  
ATOM    152  CB  THR A  11      11.454  -4.830 -10.513  1.00  0.00           C  
ATOM    153  OG1 THR A  11      12.384  -5.070  -9.471  1.00  0.00           O  
ATOM    154  CG2 THR A  11      12.045  -3.779 -11.458  1.00  0.00           C  
ATOM    155  H   THR A  11      10.509  -5.036  -8.001  1.00  0.00           H  
ATOM    156  HA  THR A  11      10.327  -3.372  -9.559  1.00  0.00           H  
ATOM    157  HB  THR A  11      11.280  -5.758 -11.046  1.00  0.00           H  
ATOM    158  HG1 THR A  11      12.206  -4.455  -8.735  1.00  0.00           H  
ATOM    159 HG21 THR A  11      12.183  -2.836 -10.927  1.00  0.00           H  
ATOM    160 HG22 THR A  11      13.012  -4.124 -11.822  1.00  0.00           H  
ATOM    161 HG23 THR A  11      11.383  -3.620 -12.309  1.00  0.00           H  
ATOM    162  N   LYS A  12       8.139  -3.238 -10.688  1.00  0.00           N  
ATOM    163  CA  LYS A  12       7.098  -2.696 -11.536  1.00  0.00           C  
ATOM    164  C   LYS A  12       5.877  -3.608 -11.617  1.00  0.00           C  
ATOM    165  O   LYS A  12       5.445  -4.011 -12.697  1.00  0.00           O  
ATOM    166  CB  LYS A  12       7.658  -2.225 -12.892  1.00  0.00           C  
ATOM    167  CG  LYS A  12       6.778  -1.150 -13.560  1.00  0.00           C  
ATOM    168  CD  LYS A  12       6.807   0.225 -12.864  1.00  0.00           C  
ATOM    169  CE  LYS A  12       8.122   0.989 -13.093  1.00  0.00           C  
ATOM    170  NZ  LYS A  12       8.298   2.050 -12.085  1.00  0.00           N  
ATOM    171  H   LYS A  12       8.237  -2.812  -9.777  1.00  0.00           H  
ATOM    172  HA  LYS A  12       6.761  -1.821 -10.988  1.00  0.00           H  
ATOM    173  HB2 LYS A  12       8.663  -1.832 -12.748  1.00  0.00           H  
ATOM    174  HB3 LYS A  12       7.733  -3.085 -13.559  1.00  0.00           H  
ATOM    175  HG2 LYS A  12       7.103  -1.026 -14.594  1.00  0.00           H  
ATOM    176  HG3 LYS A  12       5.748  -1.512 -13.579  1.00  0.00           H  
ATOM    177  HD2 LYS A  12       5.986   0.833 -13.254  1.00  0.00           H  
ATOM    178  HD3 LYS A  12       6.625   0.117 -11.796  1.00  0.00           H  
ATOM    179  HE2 LYS A  12       8.981   0.325 -13.014  1.00  0.00           H  
ATOM    180  HE3 LYS A  12       8.114   1.433 -14.090  1.00  0.00           H  
ATOM    181  HZ1 LYS A  12       7.500   2.678 -12.022  1.00  0.00           H  
ATOM    182  HZ2 LYS A  12       8.411   1.644 -11.164  1.00  0.00           H  
ATOM    183  HZ3 LYS A  12       9.134   2.620 -12.217  1.00  0.00           H  
ATOM    184  N   CYS A  13       5.291  -3.884 -10.450  1.00  0.00           N  
ATOM    185  CA  CYS A  13       3.989  -4.525 -10.354  1.00  0.00           C  
ATOM    186  C   CYS A  13       2.949  -3.586 -10.985  1.00  0.00           C  
ATOM    187  O   CYS A  13       3.160  -2.375 -11.030  1.00  0.00           O  
ATOM    188  CB  CYS A  13       3.672  -4.772  -8.906  1.00  0.00           C  
ATOM    189  SG  CYS A  13       2.100  -5.620  -8.629  1.00  0.00           S  
ATOM    190  H   CYS A  13       5.711  -3.535  -9.602  1.00  0.00           H  
ATOM    191  HA  CYS A  13       4.008  -5.478 -10.870  1.00  0.00           H  
ATOM    192  HB2 CYS A  13       4.471  -5.351  -8.439  1.00  0.00           H  
ATOM    193  HB3 CYS A  13       3.636  -3.793  -8.447  1.00  0.00           H  
ATOM    194  N   ALA A  14       1.825  -4.119 -11.468  1.00  0.00           N  
ATOM    195  CA  ALA A  14       0.715  -3.326 -11.978  1.00  0.00           C  
ATOM    196  C   ALA A  14      -0.580  -4.084 -11.702  1.00  0.00           C  
ATOM    197  O   ALA A  14      -0.947  -4.978 -12.462  1.00  0.00           O  
ATOM    198  CB  ALA A  14       0.898  -3.050 -13.474  1.00  0.00           C  
ATOM    199  H   ALA A  14       1.691  -5.115 -11.370  1.00  0.00           H  
ATOM    200  HA  ALA A  14       0.672  -2.363 -11.464  1.00  0.00           H  
ATOM    201  HB1 ALA A  14       0.970  -3.987 -14.027  1.00  0.00           H  
ATOM    202  HB2 ALA A  14       0.043  -2.482 -13.845  1.00  0.00           H  
ATOM    203  HB3 ALA A  14       1.805  -2.467 -13.636  1.00  0.00           H  
ATOM    204  N   SER A  15      -1.258  -3.760 -10.598  1.00  0.00           N  
ATOM    205  CA  SER A  15      -2.563  -4.315 -10.250  1.00  0.00           C  
ATOM    206  C   SER A  15      -3.288  -3.340  -9.320  1.00  0.00           C  
ATOM    207  O   SER A  15      -4.372  -2.865  -9.652  1.00  0.00           O  
ATOM    208  CB  SER A  15      -2.428  -5.709  -9.618  1.00  0.00           C  
ATOM    209  OG  SER A  15      -1.896  -6.663 -10.517  1.00  0.00           O  
ATOM    210  H   SER A  15      -0.898  -3.009 -10.027  1.00  0.00           H  
ATOM    211  HA  SER A  15      -3.164  -4.407 -11.157  1.00  0.00           H  
ATOM    212  HB2 SER A  15      -1.781  -5.655  -8.750  1.00  0.00           H  
ATOM    213  HB3 SER A  15      -3.408  -6.060  -9.293  1.00  0.00           H  
ATOM    214  HG  SER A  15      -1.598  -6.214 -11.319  1.00  0.00           H  
ATOM    215  N   CYS A  16      -2.682  -2.999  -8.175  1.00  0.00           N  
ATOM    216  CA  CYS A  16      -3.200  -1.990  -7.252  1.00  0.00           C  
ATOM    217  C   CYS A  16      -2.995  -0.579  -7.838  1.00  0.00           C  
ATOM    218  O   CYS A  16      -2.299   0.261  -7.272  1.00  0.00           O  
ATOM    219  CB  CYS A  16      -2.581  -2.164  -5.877  1.00  0.00           C  
ATOM    220  SG  CYS A  16      -0.784  -1.992  -5.797  1.00  0.00           S  
ATOM    221  H   CYS A  16      -1.788  -3.404  -7.949  1.00  0.00           H  
ATOM    222  HA  CYS A  16      -4.275  -2.142  -7.133  1.00  0.00           H  
ATOM    223  HB2 CYS A  16      -2.980  -1.365  -5.235  1.00  0.00           H  
ATOM    224  HB3 CYS A  16      -2.869  -3.127  -5.454  1.00  0.00           H  
ATOM    225  N   VAL A  17      -3.603  -0.317  -8.999  1.00  0.00           N  
ATOM    226  CA  VAL A  17      -3.498   0.947  -9.714  1.00  0.00           C  
ATOM    227  C   VAL A  17      -4.909   1.469 -10.002  1.00  0.00           C  
ATOM    228  O   VAL A  17      -5.500   2.117  -9.138  1.00  0.00           O  
ATOM    229  CB  VAL A  17      -2.588   0.803 -10.942  1.00  0.00           C  
ATOM    230  CG1 VAL A  17      -2.374   2.148 -11.650  1.00  0.00           C  
ATOM    231  CG2 VAL A  17      -1.230   0.200 -10.569  1.00  0.00           C  
ATOM    232  H   VAL A  17      -4.158  -1.053  -9.423  1.00  0.00           H  
ATOM    233  HA  VAL A  17      -3.013   1.688  -9.093  1.00  0.00           H  
ATOM    234  HB  VAL A  17      -3.045   0.106 -11.623  1.00  0.00           H  
ATOM    235 HG11 VAL A  17      -3.325   2.574 -11.969  1.00  0.00           H  
ATOM    236 HG12 VAL A  17      -1.876   2.850 -10.980  1.00  0.00           H  
ATOM    237 HG13 VAL A  17      -1.754   2.001 -12.535  1.00  0.00           H  
ATOM    238 HG21 VAL A  17      -0.797   0.765  -9.748  1.00  0.00           H  
ATOM    239 HG22 VAL A  17      -1.349  -0.838 -10.260  1.00  0.00           H  
ATOM    240 HG23 VAL A  17      -0.562   0.227 -11.430  1.00  0.00           H  
ATOM    241  N   GLU A  18      -5.501   1.155 -11.161  1.00  0.00           N  
ATOM    242  CA  GLU A  18      -6.743   1.761 -11.642  1.00  0.00           C  
ATOM    243  C   GLU A  18      -8.013   1.253 -10.939  1.00  0.00           C  
ATOM    244  O   GLU A  18      -9.084   1.192 -11.541  1.00  0.00           O  
ATOM    245  CB  GLU A  18      -6.817   1.621 -13.170  1.00  0.00           C  
ATOM    246  CG  GLU A  18      -6.931   0.165 -13.648  1.00  0.00           C  
ATOM    247  CD  GLU A  18      -5.600  -0.463 -14.036  1.00  0.00           C  
ATOM    248  OE1 GLU A  18      -4.708  -0.457 -13.165  1.00  0.00           O  
ATOM    249  OE2 GLU A  18      -5.501  -0.937 -15.187  1.00  0.00           O  
ATOM    250  H   GLU A  18      -5.027   0.533 -11.820  1.00  0.00           H  
ATOM    251  HA  GLU A  18      -6.693   2.828 -11.446  1.00  0.00           H  
ATOM    252  HB2 GLU A  18      -7.698   2.165 -13.513  1.00  0.00           H  
ATOM    253  HB3 GLU A  18      -5.937   2.084 -13.617  1.00  0.00           H  
ATOM    254  HG2 GLU A  18      -7.387  -0.441 -12.870  1.00  0.00           H  
ATOM    255  HG3 GLU A  18      -7.576   0.146 -14.525  1.00  0.00           H  
ATOM    256  N   VAL A  19      -7.898   0.903  -9.659  1.00  0.00           N  
ATOM    257  CA  VAL A  19      -8.967   0.382  -8.825  1.00  0.00           C  
ATOM    258  C   VAL A  19      -9.259   1.326  -7.656  1.00  0.00           C  
ATOM    259  O   VAL A  19     -10.403   1.399  -7.210  1.00  0.00           O  
ATOM    260  CB  VAL A  19      -8.608  -1.045  -8.367  1.00  0.00           C  
ATOM    261  CG1 VAL A  19      -7.384  -1.101  -7.440  1.00  0.00           C  
ATOM    262  CG2 VAL A  19      -9.813  -1.708  -7.686  1.00  0.00           C  
ATOM    263  H   VAL A  19      -6.993   1.049  -9.239  1.00  0.00           H  
ATOM    264  HA  VAL A  19      -9.884   0.309  -9.411  1.00  0.00           H  
ATOM    265  HB  VAL A  19      -8.372  -1.626  -9.261  1.00  0.00           H  
ATOM    266 HG11 VAL A  19      -6.604  -0.417  -7.773  1.00  0.00           H  
ATOM    267 HG12 VAL A  19      -7.667  -0.849  -6.418  1.00  0.00           H  
ATOM    268 HG13 VAL A  19      -6.975  -2.112  -7.451  1.00  0.00           H  
ATOM    269 HG21 VAL A  19     -10.150  -1.114  -6.838  1.00  0.00           H  
ATOM    270 HG22 VAL A  19     -10.631  -1.809  -8.399  1.00  0.00           H  
ATOM    271 HG23 VAL A  19      -9.542  -2.693  -7.316  1.00  0.00           H  
ATOM    272  N   CYS A  20      -8.249   2.027  -7.121  1.00  0.00           N  
ATOM    273  CA  CYS A  20      -8.444   2.767  -5.884  1.00  0.00           C  
ATOM    274  C   CYS A  20      -9.435   3.927  -6.086  1.00  0.00           C  
ATOM    275  O   CYS A  20      -9.203   4.794  -6.929  1.00  0.00           O  
ATOM    276  CB  CYS A  20      -7.142   3.265  -5.328  1.00  0.00           C  
ATOM    277  SG  CYS A  20      -7.234   4.219  -3.792  1.00  0.00           S  
ATOM    278  H   CYS A  20      -7.330   2.027  -7.542  1.00  0.00           H  
ATOM    279  HA  CYS A  20      -8.800   2.030  -5.181  1.00  0.00           H  
ATOM    280  HB2 CYS A  20      -6.418   2.457  -5.229  1.00  0.00           H  
ATOM    281  HB3 CYS A  20      -6.794   3.968  -6.070  1.00  0.00           H  
ATOM    282  N   PRO A  21     -10.523   3.968  -5.299  1.00  0.00           N  
ATOM    283  CA  PRO A  21     -11.529   5.018  -5.310  1.00  0.00           C  
ATOM    284  C   PRO A  21     -10.959   6.439  -5.346  1.00  0.00           C  
ATOM    285  O   PRO A  21     -11.571   7.316  -5.951  1.00  0.00           O  
ATOM    286  CB  PRO A  21     -12.355   4.798  -4.037  1.00  0.00           C  
ATOM    287  CG  PRO A  21     -12.249   3.296  -3.797  1.00  0.00           C  
ATOM    288  CD  PRO A  21     -10.839   2.979  -4.290  1.00  0.00           C  
ATOM    289  HA  PRO A  21     -12.168   4.864  -6.181  1.00  0.00           H  
ATOM    290  HB2 PRO A  21     -11.889   5.307  -3.195  1.00  0.00           H  
ATOM    291  HB3 PRO A  21     -13.387   5.131  -4.151  1.00  0.00           H  
ATOM    292  HG2 PRO A  21     -12.394   3.025  -2.750  1.00  0.00           H  
ATOM    293  HG3 PRO A  21     -12.976   2.778  -4.425  1.00  0.00           H  
ATOM    294  HD2 PRO A  21     -10.092   3.099  -3.508  1.00  0.00           H  
ATOM    295  HD3 PRO A  21     -10.826   1.964  -4.686  1.00  0.00           H  
ATOM    296  N   VAL A  22      -9.834   6.680  -4.658  1.00  0.00           N  
ATOM    297  CA  VAL A  22      -9.285   8.019  -4.458  1.00  0.00           C  
ATOM    298  C   VAL A  22      -7.823   8.112  -4.912  1.00  0.00           C  
ATOM    299  O   VAL A  22      -7.092   8.960  -4.406  1.00  0.00           O  
ATOM    300  CB  VAL A  22      -9.476   8.486  -2.992  1.00  0.00           C  
ATOM    301  CG1 VAL A  22     -10.147   9.866  -2.964  1.00  0.00           C  
ATOM    302  CG2 VAL A  22     -10.304   7.528  -2.131  1.00  0.00           C  
ATOM    303  H   VAL A  22      -9.352   5.908  -4.217  1.00  0.00           H  
ATOM    304  HA  VAL A  22      -9.814   8.720  -5.104  1.00  0.00           H  
ATOM    305  HB  VAL A  22      -8.512   8.573  -2.490  1.00  0.00           H  
ATOM    306 HG11 VAL A  22      -9.547  10.580  -3.529  1.00  0.00           H  
ATOM    307 HG12 VAL A  22     -11.144   9.805  -3.404  1.00  0.00           H  
ATOM    308 HG13 VAL A  22     -10.233  10.216  -1.935  1.00  0.00           H  
ATOM    309 HG21 VAL A  22     -11.307   7.412  -2.539  1.00  0.00           H  
ATOM    310 HG22 VAL A  22      -9.805   6.560  -2.058  1.00  0.00           H  
ATOM    311 HG23 VAL A  22     -10.385   7.947  -1.132  1.00  0.00           H  
ATOM    312  N   ASP A  23      -7.420   7.272  -5.877  1.00  0.00           N  
ATOM    313  CA  ASP A  23      -6.111   7.306  -6.535  1.00  0.00           C  
ATOM    314  C   ASP A  23      -4.965   7.682  -5.583  1.00  0.00           C  
ATOM    315  O   ASP A  23      -4.304   8.704  -5.751  1.00  0.00           O  
ATOM    316  CB  ASP A  23      -6.175   8.238  -7.755  1.00  0.00           C  
ATOM    317  CG  ASP A  23      -4.899   8.167  -8.586  1.00  0.00           C  
ATOM    318  OD1 ASP A  23      -4.534   7.030  -8.953  1.00  0.00           O  
ATOM    319  OD2 ASP A  23      -4.332   9.244  -8.874  1.00  0.00           O  
ATOM    320  H   ASP A  23      -8.089   6.601  -6.238  1.00  0.00           H  
ATOM    321  HA  ASP A  23      -5.913   6.296  -6.897  1.00  0.00           H  
ATOM    322  HB2 ASP A  23      -7.006   7.947  -8.395  1.00  0.00           H  
ATOM    323  HB3 ASP A  23      -6.324   9.266  -7.421  1.00  0.00           H  
ATOM    324  N   CYS A  24      -4.740   6.856  -4.557  1.00  0.00           N  
ATOM    325  CA  CYS A  24      -3.703   7.095  -3.553  1.00  0.00           C  
ATOM    326  C   CYS A  24      -2.680   5.964  -3.553  1.00  0.00           C  
ATOM    327  O   CYS A  24      -2.127   5.623  -2.507  1.00  0.00           O  
ATOM    328  CB  CYS A  24      -4.330   7.325  -2.178  1.00  0.00           C  
ATOM    329  SG  CYS A  24      -4.984   5.798  -1.476  1.00  0.00           S  
ATOM    330  H   CYS A  24      -5.315   6.030  -4.456  1.00  0.00           H  
ATOM    331  HA  CYS A  24      -3.164   8.014  -3.774  1.00  0.00           H  
ATOM    332  HB2 CYS A  24      -3.560   7.702  -1.508  1.00  0.00           H  
ATOM    333  HB3 CYS A  24      -5.130   8.057  -2.270  1.00  0.00           H  
ATOM    334  HG  CYS A  24      -3.809   5.343  -1.031  1.00  0.00           H  
ATOM    335  N   ILE A  25      -2.438   5.402  -4.743  1.00  0.00           N  
ATOM    336  CA  ILE A  25      -1.469   4.358  -5.037  1.00  0.00           C  
ATOM    337  C   ILE A  25      -0.355   4.977  -5.896  1.00  0.00           C  
ATOM    338  O   ILE A  25      -0.600   5.465  -6.994  1.00  0.00           O  
ATOM    339  CB  ILE A  25      -2.161   3.128  -5.681  1.00  0.00           C  
ATOM    340  CG1 ILE A  25      -3.438   3.395  -6.502  1.00  0.00           C  
ATOM    341  CG2 ILE A  25      -2.559   2.139  -4.575  1.00  0.00           C  
ATOM    342  CD1 ILE A  25      -3.222   4.256  -7.750  1.00  0.00           C  
ATOM    343  H   ILE A  25      -2.907   5.805  -5.541  1.00  0.00           H  
ATOM    344  HA  ILE A  25      -1.009   4.026  -4.108  1.00  0.00           H  
ATOM    345  HB  ILE A  25      -1.445   2.617  -6.323  1.00  0.00           H  
ATOM    346 HG12 ILE A  25      -3.820   2.425  -6.827  1.00  0.00           H  
ATOM    347 HG13 ILE A  25      -4.203   3.855  -5.877  1.00  0.00           H  
ATOM    348 HG21 ILE A  25      -3.238   2.632  -3.879  1.00  0.00           H  
ATOM    349 HG22 ILE A  25      -3.061   1.255  -4.977  1.00  0.00           H  
ATOM    350 HG23 ILE A  25      -1.664   1.805  -4.051  1.00  0.00           H  
ATOM    351 HD11 ILE A  25      -2.388   3.871  -8.335  1.00  0.00           H  
ATOM    352 HD12 ILE A  25      -4.124   4.237  -8.361  1.00  0.00           H  
ATOM    353 HD13 ILE A  25      -3.030   5.292  -7.480  1.00  0.00           H  
ATOM    354  N   HIS A  26       0.873   5.011  -5.372  1.00  0.00           N  
ATOM    355  CA  HIS A  26       2.005   5.739  -5.920  1.00  0.00           C  
ATOM    356  C   HIS A  26       3.200   4.809  -6.056  1.00  0.00           C  
ATOM    357  O   HIS A  26       3.375   3.951  -5.212  1.00  0.00           O  
ATOM    358  CB  HIS A  26       2.354   6.807  -4.891  1.00  0.00           C  
ATOM    359  CG  HIS A  26       1.204   7.748  -4.633  1.00  0.00           C  
ATOM    360  ND1 HIS A  26       0.638   8.595  -5.560  1.00  0.00           N  
ATOM    361  CD2 HIS A  26       0.400   7.752  -3.524  1.00  0.00           C  
ATOM    362  CE1 HIS A  26      -0.465   9.124  -5.003  1.00  0.00           C  
ATOM    363  NE2 HIS A  26      -0.646   8.646  -3.761  1.00  0.00           N  
ATOM    364  H   HIS A  26       1.029   4.642  -4.444  1.00  0.00           H  
ATOM    365  HA  HIS A  26       1.769   6.197  -6.882  1.00  0.00           H  
ATOM    366  HB2 HIS A  26       2.641   6.304  -3.958  1.00  0.00           H  
ATOM    367  HB3 HIS A  26       3.211   7.356  -5.264  1.00  0.00           H  
ATOM    368  HD1 HIS A  26       0.956   8.752  -6.505  1.00  0.00           H  
ATOM    369  HD2 HIS A  26       0.509   7.124  -2.654  1.00  0.00           H  
ATOM    370  HE1 HIS A  26      -1.125   9.822  -5.496  1.00  0.00           H  
ATOM    371  N   GLU A  27       4.060   4.973  -7.053  1.00  0.00           N  
ATOM    372  CA  GLU A  27       5.239   4.125  -7.181  1.00  0.00           C  
ATOM    373  C   GLU A  27       6.419   4.618  -6.347  1.00  0.00           C  
ATOM    374  O   GLU A  27       6.716   5.809  -6.304  1.00  0.00           O  
ATOM    375  CB  GLU A  27       5.683   4.023  -8.643  1.00  0.00           C  
ATOM    376  CG  GLU A  27       4.776   3.072  -9.421  1.00  0.00           C  
ATOM    377  CD  GLU A  27       5.148   3.006 -10.895  1.00  0.00           C  
ATOM    378  OE1 GLU A  27       6.281   3.418 -11.223  1.00  0.00           O  
ATOM    379  OE2 GLU A  27       4.321   2.497 -11.679  1.00  0.00           O  
ATOM    380  H   GLU A  27       3.904   5.713  -7.710  1.00  0.00           H  
ATOM    381  HA  GLU A  27       4.990   3.115  -6.861  1.00  0.00           H  
ATOM    382  HB2 GLU A  27       5.700   5.009  -9.109  1.00  0.00           H  
ATOM    383  HB3 GLU A  27       6.687   3.601  -8.694  1.00  0.00           H  
ATOM    384  HG2 GLU A  27       4.862   2.068  -9.007  1.00  0.00           H  
ATOM    385  HG3 GLU A  27       3.754   3.408  -9.304  1.00  0.00           H  
ATOM    386  N   GLY A  28       7.132   3.661  -5.751  1.00  0.00           N  
ATOM    387  CA  GLY A  28       8.438   3.834  -5.135  1.00  0.00           C  
ATOM    388  C   GLY A  28       9.435   3.172  -6.091  1.00  0.00           C  
ATOM    389  O   GLY A  28      10.297   2.400  -5.679  1.00  0.00           O  
ATOM    390  H   GLY A  28       6.780   2.712  -5.816  1.00  0.00           H  
ATOM    391  HA2 GLY A  28       8.693   4.887  -5.009  1.00  0.00           H  
ATOM    392  HA3 GLY A  28       8.467   3.339  -4.165  1.00  0.00           H  
ATOM    393  N   GLU A  29       9.237   3.437  -7.387  1.00  0.00           N  
ATOM    394  CA  GLU A  29       9.868   2.875  -8.572  1.00  0.00           C  
ATOM    395  C   GLU A  29       9.531   1.384  -8.724  1.00  0.00           C  
ATOM    396  O   GLU A  29       8.905   0.969  -9.700  1.00  0.00           O  
ATOM    397  CB  GLU A  29      11.386   3.163  -8.580  1.00  0.00           C  
ATOM    398  CG  GLU A  29      12.114   3.618  -9.872  1.00  0.00           C  
ATOM    399  CD  GLU A  29      11.513   3.322 -11.250  1.00  0.00           C  
ATOM    400  OE1 GLU A  29      10.292   3.501 -11.436  1.00  0.00           O  
ATOM    401  OE2 GLU A  29      12.302   2.957 -12.143  1.00  0.00           O  
ATOM    402  H   GLU A  29       8.489   4.073  -7.583  1.00  0.00           H  
ATOM    403  HA  GLU A  29       9.369   3.423  -9.363  1.00  0.00           H  
ATOM    404  HB2 GLU A  29      11.572   3.964  -7.864  1.00  0.00           H  
ATOM    405  HB3 GLU A  29      11.904   2.284  -8.195  1.00  0.00           H  
ATOM    406  HG2 GLU A  29      12.278   4.694  -9.824  1.00  0.00           H  
ATOM    407  HG3 GLU A  29      13.096   3.142  -9.861  1.00  0.00           H  
ATOM    408  N   ASP A  30       9.941   0.584  -7.741  1.00  0.00           N  
ATOM    409  CA  ASP A  30       9.874  -0.875  -7.779  1.00  0.00           C  
ATOM    410  C   ASP A  30       8.465  -1.396  -7.506  1.00  0.00           C  
ATOM    411  O   ASP A  30       8.049  -2.404  -8.069  1.00  0.00           O  
ATOM    412  CB  ASP A  30      10.840  -1.474  -6.742  1.00  0.00           C  
ATOM    413  CG  ASP A  30      10.762  -3.002  -6.702  1.00  0.00           C  
ATOM    414  OD1 ASP A  30       9.852  -3.529  -6.024  1.00  0.00           O  
ATOM    415  OD2 ASP A  30      11.597  -3.643  -7.379  1.00  0.00           O  
ATOM    416  H   ASP A  30      10.345   1.054  -6.938  1.00  0.00           H  
ATOM    417  HA  ASP A  30      10.187  -1.212  -8.768  1.00  0.00           H  
ATOM    418  HB2 ASP A  30      11.862  -1.181  -6.983  1.00  0.00           H  
ATOM    419  HB3 ASP A  30      10.593  -1.098  -5.750  1.00  0.00           H  
ATOM    420  N   GLN A  31       7.718  -0.709  -6.646  1.00  0.00           N  
ATOM    421  CA  GLN A  31       6.478  -1.213  -6.100  1.00  0.00           C  
ATOM    422  C   GLN A  31       5.558  -0.037  -5.836  1.00  0.00           C  
ATOM    423  O   GLN A  31       6.034   1.087  -5.675  1.00  0.00           O  
ATOM    424  CB  GLN A  31       6.815  -1.939  -4.790  1.00  0.00           C  
ATOM    425  CG  GLN A  31       7.746  -1.090  -3.896  1.00  0.00           C  
ATOM    426  CD  GLN A  31       7.402  -1.108  -2.417  1.00  0.00           C  
ATOM    427  OE1 GLN A  31       8.277  -1.174  -1.558  1.00  0.00           O  
ATOM    428  NE2 GLN A  31       6.131  -0.943  -2.100  1.00  0.00           N  
ATOM    429  H   GLN A  31       7.991   0.213  -6.339  1.00  0.00           H  
ATOM    430  HA  GLN A  31       5.987  -1.900  -6.791  1.00  0.00           H  
ATOM    431  HB2 GLN A  31       5.900  -2.224  -4.274  1.00  0.00           H  
ATOM    432  HB3 GLN A  31       7.337  -2.858  -5.050  1.00  0.00           H  
ATOM    433  HG2 GLN A  31       8.758  -1.463  -4.008  1.00  0.00           H  
ATOM    434  HG3 GLN A  31       7.742  -0.042  -4.185  1.00  0.00           H  
ATOM    435 HE21 GLN A  31       5.446  -0.771  -2.829  1.00  0.00           H  
ATOM    436 HE22 GLN A  31       5.853  -0.952  -1.136  1.00  0.00           H  
ATOM    437  N   TYR A  32       4.257  -0.300  -5.763  1.00  0.00           N  
ATOM    438  CA  TYR A  32       3.302   0.712  -5.361  1.00  0.00           C  
ATOM    439  C   TYR A  32       3.342   0.908  -3.847  1.00  0.00           C  
ATOM    440  O   TYR A  32       3.766   0.024  -3.105  1.00  0.00           O  
ATOM    441  CB  TYR A  32       1.905   0.380  -5.885  1.00  0.00           C  
ATOM    442  CG  TYR A  32       1.727   0.766  -7.340  1.00  0.00           C  
ATOM    443  CD1 TYR A  32       2.328   0.008  -8.363  1.00  0.00           C  
ATOM    444  CD2 TYR A  32       1.149   2.011  -7.647  1.00  0.00           C  
ATOM    445  CE1 TYR A  32       2.363   0.509  -9.676  1.00  0.00           C  
ATOM    446  CE2 TYR A  32       1.123   2.477  -8.970  1.00  0.00           C  
ATOM    447  CZ  TYR A  32       1.738   1.729  -9.985  1.00  0.00           C  
ATOM    448  OH  TYR A  32       1.772   2.222 -11.252  1.00  0.00           O  
ATOM    449  H   TYR A  32       3.930  -1.246  -5.893  1.00  0.00           H  
ATOM    450  HA  TYR A  32       3.596   1.646  -5.831  1.00  0.00           H  
ATOM    451  HB2 TYR A  32       1.709  -0.679  -5.750  1.00  0.00           H  
ATOM    452  HB3 TYR A  32       1.165   0.923  -5.295  1.00  0.00           H  
ATOM    453  HD1 TYR A  32       2.817  -0.928  -8.136  1.00  0.00           H  
ATOM    454  HD2 TYR A  32       0.771   2.636  -6.857  1.00  0.00           H  
ATOM    455  HE1 TYR A  32       2.895  -0.024 -10.448  1.00  0.00           H  
ATOM    456  HE2 TYR A  32       0.677   3.433  -9.199  1.00  0.00           H  
ATOM    457  HH  TYR A  32       2.691   2.243 -11.575  1.00  0.00           H  
ATOM    458  N   TYR A  33       2.915   2.096  -3.428  1.00  0.00           N  
ATOM    459  CA  TYR A  33       2.902   2.656  -2.094  1.00  0.00           C  
ATOM    460  C   TYR A  33       1.535   3.304  -1.936  1.00  0.00           C  
ATOM    461  O   TYR A  33       1.193   4.196  -2.709  1.00  0.00           O  
ATOM    462  CB  TYR A  33       4.006   3.720  -1.978  1.00  0.00           C  
ATOM    463  CG  TYR A  33       5.296   3.173  -1.412  1.00  0.00           C  
ATOM    464  CD1 TYR A  33       5.446   3.063  -0.021  1.00  0.00           C  
ATOM    465  CD2 TYR A  33       6.277   2.640  -2.265  1.00  0.00           C  
ATOM    466  CE1 TYR A  33       6.499   2.309   0.519  1.00  0.00           C  
ATOM    467  CE2 TYR A  33       7.388   1.974  -1.719  1.00  0.00           C  
ATOM    468  CZ  TYR A  33       7.443   1.722  -0.337  1.00  0.00           C  
ATOM    469  OH  TYR A  33       8.422   0.934   0.187  1.00  0.00           O  
ATOM    470  H   TYR A  33       2.651   2.752  -4.157  1.00  0.00           H  
ATOM    471  HA  TYR A  33       3.037   1.885  -1.336  1.00  0.00           H  
ATOM    472  HB2 TYR A  33       4.212   4.169  -2.947  1.00  0.00           H  
ATOM    473  HB3 TYR A  33       3.649   4.537  -1.352  1.00  0.00           H  
ATOM    474  HD1 TYR A  33       4.736   3.548   0.625  1.00  0.00           H  
ATOM    475  HD2 TYR A  33       6.160   2.715  -3.335  1.00  0.00           H  
ATOM    476  HE1 TYR A  33       6.574   2.165   1.587  1.00  0.00           H  
ATOM    477  HE2 TYR A  33       8.161   1.599  -2.371  1.00  0.00           H  
ATOM    478  HH  TYR A  33       8.665   0.219  -0.419  1.00  0.00           H  
ATOM    479  N   ILE A  34       0.746   2.844  -0.969  1.00  0.00           N  
ATOM    480  CA  ILE A  34      -0.563   3.387  -0.689  1.00  0.00           C  
ATOM    481  C   ILE A  34      -0.385   4.524   0.314  1.00  0.00           C  
ATOM    482  O   ILE A  34       0.288   4.306   1.318  1.00  0.00           O  
ATOM    483  CB  ILE A  34      -1.476   2.278  -0.129  1.00  0.00           C  
ATOM    484  CG1 ILE A  34      -1.893   1.300  -1.246  1.00  0.00           C  
ATOM    485  CG2 ILE A  34      -2.712   2.905   0.530  1.00  0.00           C  
ATOM    486  CD1 ILE A  34      -2.481  -0.001  -0.699  1.00  0.00           C  
ATOM    487  H   ILE A  34       1.119   2.216  -0.280  1.00  0.00           H  
ATOM    488  HA  ILE A  34      -0.983   3.737  -1.616  1.00  0.00           H  
ATOM    489  HB  ILE A  34      -0.929   1.726   0.637  1.00  0.00           H  
ATOM    490 HG12 ILE A  34      -2.640   1.763  -1.888  1.00  0.00           H  
ATOM    491 HG13 ILE A  34      -1.034   1.029  -1.863  1.00  0.00           H  
ATOM    492 HG21 ILE A  34      -3.154   3.640  -0.140  1.00  0.00           H  
ATOM    493 HG22 ILE A  34      -3.456   2.148   0.756  1.00  0.00           H  
ATOM    494 HG23 ILE A  34      -2.445   3.387   1.469  1.00  0.00           H  
ATOM    495 HD11 ILE A  34      -1.769  -0.465  -0.021  1.00  0.00           H  
ATOM    496 HD12 ILE A  34      -3.418   0.173  -0.175  1.00  0.00           H  
ATOM    497 HD13 ILE A  34      -2.677  -0.671  -1.535  1.00  0.00           H  
ATOM    498  N   ASP A  35      -0.964   5.713   0.096  1.00  0.00           N  
ATOM    499  CA  ASP A  35      -0.985   6.689   1.184  1.00  0.00           C  
ATOM    500  C   ASP A  35      -2.063   6.237   2.173  1.00  0.00           C  
ATOM    501  O   ASP A  35      -3.245   6.317   1.828  1.00  0.00           O  
ATOM    502  CB  ASP A  35      -1.299   8.131   0.754  1.00  0.00           C  
ATOM    503  CG  ASP A  35      -0.963   9.077   1.902  1.00  0.00           C  
ATOM    504  OD1 ASP A  35      -1.095   8.668   3.073  1.00  0.00           O  
ATOM    505  OD2 ASP A  35      -0.477  10.203   1.675  1.00  0.00           O  
ATOM    506  H   ASP A  35      -1.479   5.879  -0.764  1.00  0.00           H  
ATOM    507  HA  ASP A  35       0.005   6.714   1.635  1.00  0.00           H  
ATOM    508  HB2 ASP A  35      -0.759   8.417  -0.145  1.00  0.00           H  
ATOM    509  HB3 ASP A  35      -2.363   8.231   0.567  1.00  0.00           H  
ATOM    510  N   PRO A  36      -1.722   5.786   3.389  1.00  0.00           N  
ATOM    511  CA  PRO A  36      -2.735   5.405   4.348  1.00  0.00           C  
ATOM    512  C   PRO A  36      -3.616   6.602   4.702  1.00  0.00           C  
ATOM    513  O   PRO A  36      -4.787   6.447   5.020  1.00  0.00           O  
ATOM    514  CB  PRO A  36      -1.978   4.896   5.574  1.00  0.00           C  
ATOM    515  CG  PRO A  36      -0.616   5.582   5.487  1.00  0.00           C  
ATOM    516  CD  PRO A  36      -0.400   5.715   3.984  1.00  0.00           C  
ATOM    517  HA  PRO A  36      -3.341   4.607   3.923  1.00  0.00           H  
ATOM    518  HB2 PRO A  36      -2.505   5.131   6.493  1.00  0.00           H  
ATOM    519  HB3 PRO A  36      -1.855   3.821   5.498  1.00  0.00           H  
ATOM    520  HG2 PRO A  36      -0.677   6.579   5.921  1.00  0.00           H  
ATOM    521  HG3 PRO A  36       0.174   5.002   5.966  1.00  0.00           H  
ATOM    522  HD2 PRO A  36       0.226   6.584   3.781  1.00  0.00           H  
ATOM    523  HD3 PRO A  36       0.065   4.804   3.635  1.00  0.00           H  
ATOM    524  N   ASP A  37      -3.056   7.807   4.671  1.00  0.00           N  
ATOM    525  CA  ASP A  37      -3.743   8.987   5.148  1.00  0.00           C  
ATOM    526  C   ASP A  37      -4.732   9.490   4.092  1.00  0.00           C  
ATOM    527  O   ASP A  37      -5.656  10.224   4.439  1.00  0.00           O  
ATOM    528  CB  ASP A  37      -2.703  10.020   5.602  1.00  0.00           C  
ATOM    529  CG  ASP A  37      -1.722   9.381   6.580  1.00  0.00           C  
ATOM    530  OD1 ASP A  37      -2.183   8.866   7.619  1.00  0.00           O  
ATOM    531  OD2 ASP A  37      -0.510   9.324   6.263  1.00  0.00           O  
ATOM    532  H   ASP A  37      -2.132   7.944   4.257  1.00  0.00           H  
ATOM    533  HA  ASP A  37      -4.323   8.724   6.034  1.00  0.00           H  
ATOM    534  HB2 ASP A  37      -2.183  10.404   4.729  1.00  0.00           H  
ATOM    535  HB3 ASP A  37      -3.215  10.844   6.098  1.00  0.00           H  
ATOM    536  N   VAL A  38      -4.572   9.084   2.821  1.00  0.00           N  
ATOM    537  CA  VAL A  38      -5.560   9.354   1.777  1.00  0.00           C  
ATOM    538  C   VAL A  38      -6.508   8.156   1.580  1.00  0.00           C  
ATOM    539  O   VAL A  38      -7.681   8.363   1.269  1.00  0.00           O  
ATOM    540  CB  VAL A  38      -4.870   9.816   0.479  1.00  0.00           C  
ATOM    541  CG1 VAL A  38      -5.898  10.224  -0.587  1.00  0.00           C  
ATOM    542  CG2 VAL A  38      -3.960  11.024   0.745  1.00  0.00           C  
ATOM    543  H   VAL A  38      -3.769   8.513   2.578  1.00  0.00           H  
ATOM    544  HA  VAL A  38      -6.185  10.189   2.091  1.00  0.00           H  
ATOM    545  HB  VAL A  38      -4.260   9.010   0.078  1.00  0.00           H  
ATOM    546 HG11 VAL A  38      -6.538  11.019  -0.205  1.00  0.00           H  
ATOM    547 HG12 VAL A  38      -5.382  10.582  -1.479  1.00  0.00           H  
ATOM    548 HG13 VAL A  38      -6.518   9.374  -0.869  1.00  0.00           H  
ATOM    549 HG21 VAL A  38      -4.545  11.852   1.146  1.00  0.00           H  
ATOM    550 HG22 VAL A  38      -3.175  10.771   1.456  1.00  0.00           H  
ATOM    551 HG23 VAL A  38      -3.486  11.340  -0.185  1.00  0.00           H  
ATOM    552  N   CYS A  39      -6.038   6.913   1.752  1.00  0.00           N  
ATOM    553  CA  CYS A  39      -6.885   5.724   1.633  1.00  0.00           C  
ATOM    554  C   CYS A  39      -8.096   5.805   2.576  1.00  0.00           C  
ATOM    555  O   CYS A  39      -7.953   6.015   3.778  1.00  0.00           O  
ATOM    556  CB  CYS A  39      -6.084   4.481   1.928  1.00  0.00           C  
ATOM    557  SG  CYS A  39      -7.064   2.971   2.121  1.00  0.00           S  
ATOM    558  H   CYS A  39      -5.059   6.771   1.977  1.00  0.00           H  
ATOM    559  HA  CYS A  39      -7.239   5.669   0.603  1.00  0.00           H  
ATOM    560  HB2 CYS A  39      -5.315   4.330   1.171  1.00  0.00           H  
ATOM    561  HB3 CYS A  39      -5.584   4.649   2.880  1.00  0.00           H  
ATOM    562  N   ILE A  40      -9.300   5.600   2.035  1.00  0.00           N  
ATOM    563  CA  ILE A  40     -10.553   5.712   2.777  1.00  0.00           C  
ATOM    564  C   ILE A  40     -10.976   4.368   3.392  1.00  0.00           C  
ATOM    565  O   ILE A  40     -12.165   4.055   3.409  1.00  0.00           O  
ATOM    566  CB  ILE A  40     -11.639   6.313   1.861  1.00  0.00           C  
ATOM    567  CG1 ILE A  40     -11.814   5.488   0.570  1.00  0.00           C  
ATOM    568  CG2 ILE A  40     -11.293   7.777   1.553  1.00  0.00           C  
ATOM    569  CD1 ILE A  40     -13.159   5.749  -0.113  1.00  0.00           C  
ATOM    570  H   ILE A  40      -9.349   5.395   1.049  1.00  0.00           H  
ATOM    571  HA  ILE A  40     -10.420   6.402   3.612  1.00  0.00           H  
ATOM    572  HB  ILE A  40     -12.585   6.319   2.405  1.00  0.00           H  
ATOM    573 HG12 ILE A  40     -11.011   5.711  -0.131  1.00  0.00           H  
ATOM    574 HG13 ILE A  40     -11.773   4.424   0.803  1.00  0.00           H  
ATOM    575 HG21 ILE A  40     -10.321   7.845   1.067  1.00  0.00           H  
ATOM    576 HG22 ILE A  40     -12.049   8.224   0.909  1.00  0.00           H  
ATOM    577 HG23 ILE A  40     -11.250   8.347   2.481  1.00  0.00           H  
ATOM    578 HD11 ILE A  40     -13.972   5.535   0.582  1.00  0.00           H  
ATOM    579 HD12 ILE A  40     -13.229   6.783  -0.447  1.00  0.00           H  
ATOM    580 HD13 ILE A  40     -13.255   5.091  -0.977  1.00  0.00           H  
ATOM    581  N   ASP A  41     -10.016   3.582   3.898  1.00  0.00           N  
ATOM    582  CA  ASP A  41     -10.246   2.290   4.554  1.00  0.00           C  
ATOM    583  C   ASP A  41     -11.243   1.415   3.778  1.00  0.00           C  
ATOM    584  O   ASP A  41     -12.257   0.970   4.314  1.00  0.00           O  
ATOM    585  CB  ASP A  41     -10.648   2.484   6.033  1.00  0.00           C  
ATOM    586  CG  ASP A  41      -9.467   2.465   6.985  1.00  0.00           C  
ATOM    587  OD1 ASP A  41      -8.698   1.473   6.983  1.00  0.00           O  
ATOM    588  OD2 ASP A  41      -9.286   3.449   7.724  1.00  0.00           O  
ATOM    589  H   ASP A  41      -9.065   3.927   3.853  1.00  0.00           H  
ATOM    590  HA  ASP A  41      -9.302   1.746   4.526  1.00  0.00           H  
ATOM    591  HB2 ASP A  41     -11.197   3.419   6.152  1.00  0.00           H  
ATOM    592  HB3 ASP A  41     -11.289   1.673   6.372  1.00  0.00           H  
ATOM    593  N   CYS A  42     -10.926   1.146   2.507  1.00  0.00           N  
ATOM    594  CA  CYS A  42     -11.656   0.183   1.685  1.00  0.00           C  
ATOM    595  C   CYS A  42     -10.889  -1.149   1.650  1.00  0.00           C  
ATOM    596  O   CYS A  42      -9.990  -1.347   2.465  1.00  0.00           O  
ATOM    597  CB  CYS A  42     -12.016   0.795   0.346  1.00  0.00           C  
ATOM    598  SG  CYS A  42     -11.031   0.430  -1.123  1.00  0.00           S  
ATOM    599  H   CYS A  42     -10.045   1.494   2.171  1.00  0.00           H  
ATOM    600  HA  CYS A  42     -12.609  -0.037   2.169  1.00  0.00           H  
ATOM    601  HB2 CYS A  42     -13.015   0.429   0.105  1.00  0.00           H  
ATOM    602  HB3 CYS A  42     -12.098   1.878   0.449  1.00  0.00           H  
ATOM    603  N   GLY A  43     -11.245  -2.081   0.759  1.00  0.00           N  
ATOM    604  CA  GLY A  43     -10.594  -3.390   0.678  1.00  0.00           C  
ATOM    605  C   GLY A  43     -10.434  -3.900  -0.756  1.00  0.00           C  
ATOM    606  O   GLY A  43     -10.318  -5.103  -0.978  1.00  0.00           O  
ATOM    607  H   GLY A  43     -11.982  -1.850   0.108  1.00  0.00           H  
ATOM    608  HA2 GLY A  43      -9.595  -3.353   1.114  1.00  0.00           H  
ATOM    609  HA3 GLY A  43     -11.190  -4.107   1.244  1.00  0.00           H  
ATOM    610  N   ALA A  44     -10.427  -2.996  -1.738  1.00  0.00           N  
ATOM    611  CA  ALA A  44     -10.366  -3.363  -3.148  1.00  0.00           C  
ATOM    612  C   ALA A  44      -8.943  -3.756  -3.552  1.00  0.00           C  
ATOM    613  O   ALA A  44      -8.713  -4.835  -4.093  1.00  0.00           O  
ATOM    614  CB  ALA A  44     -10.889  -2.202  -3.999  1.00  0.00           C  
ATOM    615  H   ALA A  44     -10.512  -2.023  -1.489  1.00  0.00           H  
ATOM    616  HA  ALA A  44     -11.020  -4.219  -3.323  1.00  0.00           H  
ATOM    617  HB1 ALA A  44     -11.910  -1.959  -3.703  1.00  0.00           H  
ATOM    618  HB2 ALA A  44     -10.262  -1.318  -3.877  1.00  0.00           H  
ATOM    619  HB3 ALA A  44     -10.889  -2.500  -5.047  1.00  0.00           H  
ATOM    620  N   CYS A  45      -7.987  -2.863  -3.292  1.00  0.00           N  
ATOM    621  CA  CYS A  45      -6.589  -3.031  -3.661  1.00  0.00           C  
ATOM    622  C   CYS A  45      -6.025  -4.372  -3.161  1.00  0.00           C  
ATOM    623  O   CYS A  45      -5.427  -5.098  -3.950  1.00  0.00           O  
ATOM    624  CB  CYS A  45      -5.801  -1.812  -3.243  1.00  0.00           C  
ATOM    625  SG  CYS A  45      -5.876  -1.390  -1.487  1.00  0.00           S  
ATOM    626  H   CYS A  45      -8.243  -2.002  -2.840  1.00  0.00           H  
ATOM    627  HA  CYS A  45      -6.545  -3.059  -4.751  1.00  0.00           H  
ATOM    628  HB2 CYS A  45      -4.754  -1.948  -3.524  1.00  0.00           H  
ATOM    629  HB3 CYS A  45      -6.159  -0.961  -3.819  1.00  0.00           H  
ATOM    630  N   GLU A  46      -6.274  -4.756  -1.901  1.00  0.00           N  
ATOM    631  CA  GLU A  46      -5.886  -6.077  -1.390  1.00  0.00           C  
ATOM    632  C   GLU A  46      -6.475  -7.193  -2.257  1.00  0.00           C  
ATOM    633  O   GLU A  46      -5.760  -8.078  -2.719  1.00  0.00           O  
ATOM    634  CB  GLU A  46      -6.315  -6.247   0.081  1.00  0.00           C  
ATOM    635  CG  GLU A  46      -6.148  -7.667   0.672  1.00  0.00           C  
ATOM    636  CD  GLU A  46      -4.742  -8.279   0.689  1.00  0.00           C  
ATOM    637  OE1 GLU A  46      -3.814  -7.751   0.036  1.00  0.00           O  
ATOM    638  OE2 GLU A  46      -4.606  -9.332   1.352  1.00  0.00           O  
ATOM    639  H   GLU A  46      -6.734  -4.097  -1.290  1.00  0.00           H  
ATOM    640  HA  GLU A  46      -4.801  -6.140  -1.461  1.00  0.00           H  
ATOM    641  HB2 GLU A  46      -5.775  -5.547   0.713  1.00  0.00           H  
ATOM    642  HB3 GLU A  46      -7.375  -6.003   0.155  1.00  0.00           H  
ATOM    643  HG2 GLU A  46      -6.478  -7.625   1.711  1.00  0.00           H  
ATOM    644  HG3 GLU A  46      -6.802  -8.364   0.149  1.00  0.00           H  
ATOM    645  N   ALA A  47      -7.793  -7.160  -2.486  1.00  0.00           N  
ATOM    646  CA  ALA A  47      -8.461  -8.172  -3.296  1.00  0.00           C  
ATOM    647  C   ALA A  47      -7.855  -8.239  -4.702  1.00  0.00           C  
ATOM    648  O   ALA A  47      -7.809  -9.307  -5.308  1.00  0.00           O  
ATOM    649  CB  ALA A  47      -9.966  -7.896  -3.348  1.00  0.00           C  
ATOM    650  H   ALA A  47      -8.337  -6.386  -2.130  1.00  0.00           H  
ATOM    651  HA  ALA A  47      -8.314  -9.143  -2.819  1.00  0.00           H  
ATOM    652  HB1 ALA A  47     -10.372  -7.870  -2.336  1.00  0.00           H  
ATOM    653  HB2 ALA A  47     -10.164  -6.944  -3.839  1.00  0.00           H  
ATOM    654  HB3 ALA A  47     -10.461  -8.691  -3.908  1.00  0.00           H  
ATOM    655  N   VAL A  48      -7.405  -7.095  -5.224  1.00  0.00           N  
ATOM    656  CA  VAL A  48      -6.767  -7.008  -6.527  1.00  0.00           C  
ATOM    657  C   VAL A  48      -5.311  -7.491  -6.498  1.00  0.00           C  
ATOM    658  O   VAL A  48      -4.869  -8.079  -7.483  1.00  0.00           O  
ATOM    659  CB  VAL A  48      -6.949  -5.582  -7.073  1.00  0.00           C  
ATOM    660  CG1 VAL A  48      -5.923  -5.193  -8.138  1.00  0.00           C  
ATOM    661  CG2 VAL A  48      -8.351  -5.469  -7.682  1.00  0.00           C  
ATOM    662  H   VAL A  48      -7.513  -6.239  -4.685  1.00  0.00           H  
ATOM    663  HA  VAL A  48      -7.285  -7.683  -7.211  1.00  0.00           H  
ATOM    664  HB  VAL A  48      -6.859  -4.866  -6.257  1.00  0.00           H  
ATOM    665 HG11 VAL A  48      -5.904  -5.931  -8.940  1.00  0.00           H  
ATOM    666 HG12 VAL A  48      -6.196  -4.224  -8.552  1.00  0.00           H  
ATOM    667 HG13 VAL A  48      -4.935  -5.109  -7.683  1.00  0.00           H  
ATOM    668 HG21 VAL A  48      -9.108  -5.717  -6.937  1.00  0.00           H  
ATOM    669 HG22 VAL A  48      -8.511  -4.454  -8.035  1.00  0.00           H  
ATOM    670 HG23 VAL A  48      -8.447  -6.145  -8.532  1.00  0.00           H  
ATOM    671  N   CYS A  49      -4.552  -7.252  -5.422  1.00  0.00           N  
ATOM    672  CA  CYS A  49      -3.169  -7.714  -5.333  1.00  0.00           C  
ATOM    673  C   CYS A  49      -3.156  -9.247  -5.426  1.00  0.00           C  
ATOM    674  O   CYS A  49      -3.621  -9.918  -4.501  1.00  0.00           O  
ATOM    675  CB  CYS A  49      -2.515  -7.231  -4.057  1.00  0.00           C  
ATOM    676  SG  CYS A  49      -0.763  -7.604  -3.899  1.00  0.00           S  
ATOM    677  H   CYS A  49      -4.950  -6.761  -4.627  1.00  0.00           H  
ATOM    678  HA  CYS A  49      -2.635  -7.266  -6.165  1.00  0.00           H  
ATOM    679  HB2 CYS A  49      -2.673  -6.163  -3.929  1.00  0.00           H  
ATOM    680  HB3 CYS A  49      -2.950  -7.758  -3.204  1.00  0.00           H  
ATOM    681  N   PRO A  50      -2.610  -9.853  -6.498  1.00  0.00           N  
ATOM    682  CA  PRO A  50      -2.753 -11.283  -6.771  1.00  0.00           C  
ATOM    683  C   PRO A  50      -1.876 -12.160  -5.863  1.00  0.00           C  
ATOM    684  O   PRO A  50      -1.501 -13.267  -6.242  1.00  0.00           O  
ATOM    685  CB  PRO A  50      -2.374 -11.426  -8.250  1.00  0.00           C  
ATOM    686  CG  PRO A  50      -1.314 -10.339  -8.431  1.00  0.00           C  
ATOM    687  CD  PRO A  50      -1.845  -9.206  -7.554  1.00  0.00           C  
ATOM    688  HA  PRO A  50      -3.793 -11.589  -6.638  1.00  0.00           H  
ATOM    689  HB2 PRO A  50      -2.003 -12.416  -8.517  1.00  0.00           H  
ATOM    690  HB3 PRO A  50      -3.241 -11.181  -8.865  1.00  0.00           H  
ATOM    691  HG2 PRO A  50      -0.360 -10.693  -8.036  1.00  0.00           H  
ATOM    692  HG3 PRO A  50      -1.203 -10.035  -9.472  1.00  0.00           H  
ATOM    693  HD2 PRO A  50      -1.015  -8.627  -7.148  1.00  0.00           H  
ATOM    694  HD3 PRO A  50      -2.493  -8.565  -8.152  1.00  0.00           H  
ATOM    695  N   VAL A  51      -1.543 -11.662  -4.672  1.00  0.00           N  
ATOM    696  CA  VAL A  51      -0.682 -12.285  -3.686  1.00  0.00           C  
ATOM    697  C   VAL A  51      -1.380 -12.293  -2.320  1.00  0.00           C  
ATOM    698  O   VAL A  51      -1.101 -13.178  -1.515  1.00  0.00           O  
ATOM    699  CB  VAL A  51       0.680 -11.547  -3.635  1.00  0.00           C  
ATOM    700  CG1 VAL A  51       1.026 -10.816  -4.942  1.00  0.00           C  
ATOM    701  CG2 VAL A  51       0.773 -10.533  -2.489  1.00  0.00           C  
ATOM    702  H   VAL A  51      -1.922 -10.764  -4.423  1.00  0.00           H  
ATOM    703  HA  VAL A  51      -0.493 -13.321  -3.972  1.00  0.00           H  
ATOM    704  HB  VAL A  51       1.455 -12.295  -3.460  1.00  0.00           H  
ATOM    705 HG11 VAL A  51       0.975 -11.506  -5.784  1.00  0.00           H  
ATOM    706 HG12 VAL A  51       0.336  -9.984  -5.102  1.00  0.00           H  
ATOM    707 HG13 VAL A  51       2.038 -10.416  -4.880  1.00  0.00           H  
ATOM    708 HG21 VAL A  51      -0.079  -9.852  -2.499  1.00  0.00           H  
ATOM    709 HG22 VAL A  51       0.802 -11.072  -1.542  1.00  0.00           H  
ATOM    710 HG23 VAL A  51       1.688  -9.951  -2.576  1.00  0.00           H  
ATOM    711  N   SER A  52      -2.255 -11.304  -2.064  1.00  0.00           N  
ATOM    712  CA  SER A  52      -2.845 -10.997  -0.774  1.00  0.00           C  
ATOM    713  C   SER A  52      -1.751 -10.581   0.220  1.00  0.00           C  
ATOM    714  O   SER A  52      -1.043 -11.425   0.765  1.00  0.00           O  
ATOM    715  CB  SER A  52      -3.712 -12.156  -0.291  1.00  0.00           C  
ATOM    716  OG  SER A  52      -4.660 -12.489  -1.290  1.00  0.00           O  
ATOM    717  H   SER A  52      -2.551 -10.690  -2.805  1.00  0.00           H  
ATOM    718  HA  SER A  52      -3.507 -10.148  -0.938  1.00  0.00           H  
ATOM    719  HB2 SER A  52      -3.082 -13.016  -0.080  1.00  0.00           H  
ATOM    720  HB3 SER A  52      -4.219 -11.845   0.621  1.00  0.00           H  
ATOM    721  HG  SER A  52      -4.942 -11.676  -1.722  1.00  0.00           H  
ATOM    722  N   ALA A  53      -1.570  -9.271   0.411  1.00  0.00           N  
ATOM    723  CA  ALA A  53      -0.466  -8.716   1.196  1.00  0.00           C  
ATOM    724  C   ALA A  53      -0.771  -7.342   1.791  1.00  0.00           C  
ATOM    725  O   ALA A  53      -0.094  -6.928   2.734  1.00  0.00           O  
ATOM    726  CB  ALA A  53       0.806  -8.628   0.346  1.00  0.00           C  
ATOM    727  H   ALA A  53      -2.301  -8.653   0.054  1.00  0.00           H  
ATOM    728  HA  ALA A  53      -0.251  -9.383   2.029  1.00  0.00           H  
ATOM    729  HB1 ALA A  53       0.615  -8.058  -0.564  1.00  0.00           H  
ATOM    730  HB2 ALA A  53       1.596  -8.137   0.915  1.00  0.00           H  
ATOM    731  HB3 ALA A  53       1.148  -9.629   0.093  1.00  0.00           H  
ATOM    732  N   ILE A  54      -1.734  -6.606   1.236  1.00  0.00           N  
ATOM    733  CA  ILE A  54      -2.089  -5.290   1.725  1.00  0.00           C  
ATOM    734  C   ILE A  54      -2.995  -5.487   2.943  1.00  0.00           C  
ATOM    735  O   ILE A  54      -4.096  -6.016   2.811  1.00  0.00           O  
ATOM    736  CB  ILE A  54      -2.785  -4.488   0.612  1.00  0.00           C  
ATOM    737  CG1 ILE A  54      -2.011  -4.568  -0.717  1.00  0.00           C  
ATOM    738  CG2 ILE A  54      -2.967  -3.038   1.072  1.00  0.00           C  
ATOM    739  CD1 ILE A  54      -2.642  -3.719  -1.825  1.00  0.00           C  
ATOM    740  H   ILE A  54      -2.364  -7.010   0.539  1.00  0.00           H  
ATOM    741  HA  ILE A  54      -1.180  -4.761   2.007  1.00  0.00           H  
ATOM    742  HB  ILE A  54      -3.763  -4.922   0.436  1.00  0.00           H  
ATOM    743 HG12 ILE A  54      -0.980  -4.258  -0.558  1.00  0.00           H  
ATOM    744 HG13 ILE A  54      -2.003  -5.599  -1.072  1.00  0.00           H  
ATOM    745 HG21 ILE A  54      -3.273  -3.008   2.116  1.00  0.00           H  
ATOM    746 HG22 ILE A  54      -2.025  -2.505   0.969  1.00  0.00           H  
ATOM    747 HG23 ILE A  54      -3.733  -2.541   0.477  1.00  0.00           H  
ATOM    748 HD11 ILE A  54      -3.674  -3.468  -1.587  1.00  0.00           H  
ATOM    749 HD12 ILE A  54      -2.064  -2.808  -1.968  1.00  0.00           H  
ATOM    750 HD13 ILE A  54      -2.638  -4.275  -2.760  1.00  0.00           H  
ATOM    751  N   TYR A  55      -2.553  -5.068   4.132  1.00  0.00           N  
ATOM    752  CA  TYR A  55      -3.318  -5.221   5.356  1.00  0.00           C  
ATOM    753  C   TYR A  55      -3.491  -3.878   6.023  1.00  0.00           C  
ATOM    754  O   TYR A  55      -2.831  -2.906   5.668  1.00  0.00           O  
ATOM    755  CB  TYR A  55      -2.605  -6.195   6.295  1.00  0.00           C  
ATOM    756  CG  TYR A  55      -2.733  -7.634   5.837  1.00  0.00           C  
ATOM    757  CD1 TYR A  55      -4.018  -8.162   5.607  1.00  0.00           C  
ATOM    758  CD2 TYR A  55      -1.604  -8.321   5.352  1.00  0.00           C  
ATOM    759  CE1 TYR A  55      -4.185  -9.223   4.705  1.00  0.00           C  
ATOM    760  CE2 TYR A  55      -1.773  -9.456   4.541  1.00  0.00           C  
ATOM    761  CZ  TYR A  55      -3.061  -9.826   4.121  1.00  0.00           C  
ATOM    762  OH  TYR A  55      -3.219 -10.699   3.092  1.00  0.00           O  
ATOM    763  H   TYR A  55      -1.687  -4.548   4.206  1.00  0.00           H  
ATOM    764  HA  TYR A  55      -4.328  -5.575   5.146  1.00  0.00           H  
ATOM    765  HB2 TYR A  55      -1.559  -5.909   6.348  1.00  0.00           H  
ATOM    766  HB3 TYR A  55      -3.007  -6.076   7.298  1.00  0.00           H  
ATOM    767  HD1 TYR A  55      -4.891  -7.655   5.989  1.00  0.00           H  
ATOM    768  HD2 TYR A  55      -0.611  -7.927   5.515  1.00  0.00           H  
ATOM    769  HE1 TYR A  55      -5.177  -9.511   4.389  1.00  0.00           H  
ATOM    770  HE2 TYR A  55      -0.910  -9.962   4.135  1.00  0.00           H  
ATOM    771  HH  TYR A  55      -3.831 -10.309   2.442  1.00  0.00           H  
ATOM    772  N   HIS A  56      -4.388  -3.830   7.004  1.00  0.00           N  
ATOM    773  CA  HIS A  56      -4.599  -2.613   7.752  1.00  0.00           C  
ATOM    774  C   HIS A  56      -3.296  -2.214   8.423  1.00  0.00           C  
ATOM    775  O   HIS A  56      -2.545  -3.076   8.883  1.00  0.00           O  
ATOM    776  CB  HIS A  56      -5.703  -2.799   8.797  1.00  0.00           C  
ATOM    777  CG  HIS A  56      -6.318  -1.500   9.245  1.00  0.00           C  
ATOM    778  ND1 HIS A  56      -6.250  -0.956  10.506  1.00  0.00           N  
ATOM    779  CD2 HIS A  56      -6.949  -0.593   8.440  1.00  0.00           C  
ATOM    780  CE1 HIS A  56      -6.800   0.268  10.451  1.00  0.00           C  
ATOM    781  NE2 HIS A  56      -7.222   0.546   9.205  1.00  0.00           N  
ATOM    782  H   HIS A  56      -4.859  -4.677   7.280  1.00  0.00           H  
ATOM    783  HA  HIS A  56      -4.863  -1.848   7.029  1.00  0.00           H  
ATOM    784  HB2 HIS A  56      -6.486  -3.441   8.403  1.00  0.00           H  
ATOM    785  HB3 HIS A  56      -5.271  -3.285   9.666  1.00  0.00           H  
ATOM    786  HD1 HIS A  56      -5.884  -1.401  11.333  1.00  0.00           H  
ATOM    787  HD2 HIS A  56      -7.132  -0.708   7.384  1.00  0.00           H  
ATOM    788  HE1 HIS A  56      -6.887   0.937  11.295  1.00  0.00           H  
ATOM    789  N   GLU A  57      -3.036  -0.915   8.508  1.00  0.00           N  
ATOM    790  CA  GLU A  57      -1.847  -0.416   9.150  1.00  0.00           C  
ATOM    791  C   GLU A  57      -1.647  -0.984  10.550  1.00  0.00           C  
ATOM    792  O   GLU A  57      -0.541  -1.368  10.929  1.00  0.00           O  
ATOM    793  CB  GLU A  57      -1.860   1.107   9.079  1.00  0.00           C  
ATOM    794  CG  GLU A  57      -2.994   1.702   9.889  1.00  0.00           C  
ATOM    795  CD  GLU A  57      -3.320   3.131   9.482  1.00  0.00           C  
ATOM    796  OE1 GLU A  57      -2.414   4.000   9.539  1.00  0.00           O  
ATOM    797  OE2 GLU A  57      -4.487   3.323   9.085  1.00  0.00           O  
ATOM    798  H   GLU A  57      -3.638  -0.230   8.060  1.00  0.00           H  
ATOM    799  HA  GLU A  57      -1.036  -0.817   8.584  1.00  0.00           H  
ATOM    800  HB2 GLU A  57      -0.950   1.486   9.501  1.00  0.00           H  
ATOM    801  HB3 GLU A  57      -1.965   1.426   8.046  1.00  0.00           H  
ATOM    802  HG2 GLU A  57      -3.871   1.086   9.730  1.00  0.00           H  
ATOM    803  HG3 GLU A  57      -2.689   1.660  10.928  1.00  0.00           H  
ATOM    804  N   ASP A  58      -2.748  -1.095  11.284  1.00  0.00           N  
ATOM    805  CA  ASP A  58      -2.760  -1.741  12.583  1.00  0.00           C  
ATOM    806  C   ASP A  58      -2.334  -3.205  12.507  1.00  0.00           C  
ATOM    807  O   ASP A  58      -1.587  -3.693  13.358  1.00  0.00           O  
ATOM    808  CB  ASP A  58      -4.146  -1.632  13.214  1.00  0.00           C  
ATOM    809  CG  ASP A  58      -4.137  -2.226  14.613  1.00  0.00           C  
ATOM    810  OD1 ASP A  58      -3.396  -1.675  15.453  1.00  0.00           O  
ATOM    811  OD2 ASP A  58      -4.865  -3.224  14.798  1.00  0.00           O  
ATOM    812  H   ASP A  58      -3.588  -0.706  10.885  1.00  0.00           H  
ATOM    813  HA  ASP A  58      -2.052  -1.227  13.214  1.00  0.00           H  
ATOM    814  HB2 ASP A  58      -4.465  -0.592  13.273  1.00  0.00           H  
ATOM    815  HB3 ASP A  58      -4.847  -2.216  12.628  1.00  0.00           H  
ATOM    816  N   PHE A  59      -2.799  -3.895  11.466  1.00  0.00           N  
ATOM    817  CA  PHE A  59      -2.698  -5.335  11.347  1.00  0.00           C  
ATOM    818  C   PHE A  59      -1.297  -5.743  10.917  1.00  0.00           C  
ATOM    819  O   PHE A  59      -0.812  -6.798  11.319  1.00  0.00           O  
ATOM    820  CB  PHE A  59      -3.724  -5.823  10.323  1.00  0.00           C  
ATOM    821  CG  PHE A  59      -5.200  -5.748  10.681  1.00  0.00           C  
ATOM    822  CD1 PHE A  59      -5.652  -5.172  11.887  1.00  0.00           C  
ATOM    823  CD2 PHE A  59      -6.140  -6.220   9.746  1.00  0.00           C  
ATOM    824  CE1 PHE A  59      -7.029  -5.027  12.127  1.00  0.00           C  
ATOM    825  CE2 PHE A  59      -7.517  -6.078   9.988  1.00  0.00           C  
ATOM    826  CZ  PHE A  59      -7.962  -5.471  11.175  1.00  0.00           C  
ATOM    827  H   PHE A  59      -3.094  -3.387  10.636  1.00  0.00           H  
ATOM    828  HA  PHE A  59      -2.899  -5.809  12.310  1.00  0.00           H  
ATOM    829  HB2 PHE A  59      -3.574  -5.282   9.392  1.00  0.00           H  
ATOM    830  HB3 PHE A  59      -3.482  -6.858  10.129  1.00  0.00           H  
ATOM    831  HD1 PHE A  59      -4.967  -4.831  12.652  1.00  0.00           H  
ATOM    832  HD2 PHE A  59      -5.810  -6.701   8.836  1.00  0.00           H  
ATOM    833  HE1 PHE A  59      -7.361  -4.579  13.054  1.00  0.00           H  
ATOM    834  HE2 PHE A  59      -8.234  -6.438   9.264  1.00  0.00           H  
ATOM    835  HZ  PHE A  59      -9.020  -5.362  11.364  1.00  0.00           H  
ATOM    836  N   VAL A  60      -0.657  -4.933  10.073  1.00  0.00           N  
ATOM    837  CA  VAL A  60       0.705  -5.201   9.640  1.00  0.00           C  
ATOM    838  C   VAL A  60       1.615  -5.403  10.870  1.00  0.00           C  
ATOM    839  O   VAL A  60       1.644  -4.520  11.728  1.00  0.00           O  
ATOM    840  CB  VAL A  60       1.180  -4.065   8.719  1.00  0.00           C  
ATOM    841  CG1 VAL A  60       2.695  -4.152   8.524  1.00  0.00           C  
ATOM    842  CG2 VAL A  60       0.468  -4.191   7.363  1.00  0.00           C  
ATOM    843  H   VAL A  60      -1.129  -4.097   9.740  1.00  0.00           H  
ATOM    844  HA  VAL A  60       0.670  -6.104   9.038  1.00  0.00           H  
ATOM    845  HB  VAL A  60       0.946  -3.093   9.160  1.00  0.00           H  
ATOM    846 HG11 VAL A  60       2.969  -5.171   8.259  1.00  0.00           H  
ATOM    847 HG12 VAL A  60       3.017  -3.477   7.736  1.00  0.00           H  
ATOM    848 HG13 VAL A  60       3.205  -3.865   9.443  1.00  0.00           H  
ATOM    849 HG21 VAL A  60       0.601  -5.195   6.961  1.00  0.00           H  
ATOM    850 HG22 VAL A  60      -0.595  -3.990   7.480  1.00  0.00           H  
ATOM    851 HG23 VAL A  60       0.868  -3.486   6.637  1.00  0.00           H  
ATOM    852  N   PRO A  61       2.337  -6.536  10.988  1.00  0.00           N  
ATOM    853  CA  PRO A  61       3.221  -6.810  12.117  1.00  0.00           C  
ATOM    854  C   PRO A  61       4.247  -5.699  12.349  1.00  0.00           C  
ATOM    855  O   PRO A  61       4.718  -5.088  11.396  1.00  0.00           O  
ATOM    856  CB  PRO A  61       3.935  -8.122  11.778  1.00  0.00           C  
ATOM    857  CG  PRO A  61       2.962  -8.831  10.841  1.00  0.00           C  
ATOM    858  CD  PRO A  61       2.306  -7.678  10.085  1.00  0.00           C  
ATOM    859  HA  PRO A  61       2.604  -6.948  13.007  1.00  0.00           H  
ATOM    860  HB2 PRO A  61       4.860  -7.914  11.235  1.00  0.00           H  
ATOM    861  HB3 PRO A  61       4.159  -8.710  12.669  1.00  0.00           H  
ATOM    862  HG2 PRO A  61       3.467  -9.530  10.173  1.00  0.00           H  
ATOM    863  HG3 PRO A  61       2.208  -9.352  11.434  1.00  0.00           H  
ATOM    864  HD2 PRO A  61       2.884  -7.444   9.189  1.00  0.00           H  
ATOM    865  HD3 PRO A  61       1.293  -7.983   9.821  1.00  0.00           H  
ATOM    866  N   GLU A  62       4.606  -5.448  13.606  1.00  0.00           N  
ATOM    867  CA  GLU A  62       5.597  -4.529  14.112  1.00  0.00           C  
ATOM    868  C   GLU A  62       6.891  -4.499  13.294  1.00  0.00           C  
ATOM    869  O   GLU A  62       7.368  -3.418  12.956  1.00  0.00           O  
ATOM    870  CB  GLU A  62       5.773  -4.949  15.568  1.00  0.00           C  
ATOM    871  CG  GLU A  62       4.744  -4.280  16.499  1.00  0.00           C  
ATOM    872  CD  GLU A  62       3.307  -4.478  16.032  1.00  0.00           C  
ATOM    873  OE1 GLU A  62       2.965  -5.632  15.701  1.00  0.00           O  
ATOM    874  OE2 GLU A  62       2.590  -3.461  15.908  1.00  0.00           O  
ATOM    875  H   GLU A  62       4.149  -5.923  14.382  1.00  0.00           H  
ATOM    876  HA  GLU A  62       5.228  -3.510  14.118  1.00  0.00           H  
ATOM    877  HB2 GLU A  62       5.676  -6.029  15.650  1.00  0.00           H  
ATOM    878  HB3 GLU A  62       6.766  -4.700  15.868  1.00  0.00           H  
ATOM    879  HG2 GLU A  62       4.840  -4.702  17.499  1.00  0.00           H  
ATOM    880  HG3 GLU A  62       4.951  -3.211  16.552  1.00  0.00           H  
ATOM    881  N   GLU A  63       7.436  -5.653  12.917  1.00  0.00           N  
ATOM    882  CA  GLU A  63       8.569  -5.740  12.003  1.00  0.00           C  
ATOM    883  C   GLU A  63       8.341  -4.858  10.764  1.00  0.00           C  
ATOM    884  O   GLU A  63       9.229  -4.137  10.306  1.00  0.00           O  
ATOM    885  CB  GLU A  63       8.787  -7.203  11.591  1.00  0.00           C  
ATOM    886  CG  GLU A  63       8.931  -8.171  12.780  1.00  0.00           C  
ATOM    887  CD  GLU A  63       7.621  -8.861  13.159  1.00  0.00           C  
ATOM    888  OE1 GLU A  63       6.687  -8.132  13.559  1.00  0.00           O  
ATOM    889  OE2 GLU A  63       7.572 -10.101  13.027  1.00  0.00           O  
ATOM    890  H   GLU A  63       7.008  -6.521  13.237  1.00  0.00           H  
ATOM    891  HA  GLU A  63       9.462  -5.398  12.520  1.00  0.00           H  
ATOM    892  HB2 GLU A  63       7.961  -7.533  10.963  1.00  0.00           H  
ATOM    893  HB3 GLU A  63       9.701  -7.245  10.997  1.00  0.00           H  
ATOM    894  HG2 GLU A  63       9.632  -8.956  12.493  1.00  0.00           H  
ATOM    895  HG3 GLU A  63       9.338  -7.655  13.649  1.00  0.00           H  
ATOM    896  N   TRP A  64       7.122  -4.927  10.229  1.00  0.00           N  
ATOM    897  CA  TRP A  64       6.682  -4.266   9.016  1.00  0.00           C  
ATOM    898  C   TRP A  64       5.882  -2.985   9.286  1.00  0.00           C  
ATOM    899  O   TRP A  64       5.597  -2.260   8.335  1.00  0.00           O  
ATOM    900  CB  TRP A  64       5.904  -5.283   8.172  1.00  0.00           C  
ATOM    901  CG  TRP A  64       6.695  -6.410   7.569  1.00  0.00           C  
ATOM    902  CD1 TRP A  64       8.045  -6.483   7.466  1.00  0.00           C  
ATOM    903  CD2 TRP A  64       6.185  -7.608   6.902  1.00  0.00           C  
ATOM    904  NE1 TRP A  64       8.396  -7.627   6.784  1.00  0.00           N  
ATOM    905  CE2 TRP A  64       7.296  -8.362   6.426  1.00  0.00           C  
ATOM    906  CE3 TRP A  64       4.900  -8.116   6.607  1.00  0.00           C  
ATOM    907  CZ2 TRP A  64       7.153  -9.541   5.690  1.00  0.00           C  
ATOM    908  CZ3 TRP A  64       4.742  -9.283   5.832  1.00  0.00           C  
ATOM    909  CH2 TRP A  64       5.868  -9.977   5.352  1.00  0.00           C  
ATOM    910  H   TRP A  64       6.417  -5.458  10.728  1.00  0.00           H  
ATOM    911  HA  TRP A  64       7.547  -3.946   8.439  1.00  0.00           H  
ATOM    912  HB2 TRP A  64       5.136  -5.724   8.804  1.00  0.00           H  
ATOM    913  HB3 TRP A  64       5.406  -4.764   7.354  1.00  0.00           H  
ATOM    914  HD1 TRP A  64       8.755  -5.749   7.817  1.00  0.00           H  
ATOM    915  HE1 TRP A  64       9.339  -7.859   6.454  1.00  0.00           H  
ATOM    916  HE3 TRP A  64       4.026  -7.581   6.945  1.00  0.00           H  
ATOM    917  HZ2 TRP A  64       8.026 -10.057   5.316  1.00  0.00           H  
ATOM    918  HZ3 TRP A  64       3.749  -9.625   5.574  1.00  0.00           H  
ATOM    919  HH2 TRP A  64       5.781 -10.783   4.643  1.00  0.00           H  
ATOM    920  N   LYS A  65       5.573  -2.624  10.541  1.00  0.00           N  
ATOM    921  CA  LYS A  65       5.019  -1.329  10.888  1.00  0.00           C  
ATOM    922  C   LYS A  65       5.951  -0.229  10.349  1.00  0.00           C  
ATOM    923  O   LYS A  65       5.504   0.854   9.969  1.00  0.00           O  
ATOM    924  CB  LYS A  65       4.866  -1.276  12.411  1.00  0.00           C  
ATOM    925  CG  LYS A  65       3.637  -1.994  12.999  1.00  0.00           C  
ATOM    926  CD  LYS A  65       2.297  -1.368  12.615  1.00  0.00           C  
ATOM    927  CE  LYS A  65       1.193  -1.640  13.654  1.00  0.00           C  
ATOM    928  NZ  LYS A  65       0.951  -3.079  13.885  1.00  0.00           N  
ATOM    929  H   LYS A  65       5.787  -3.211  11.335  1.00  0.00           H  
ATOM    930  HA  LYS A  65       4.042  -1.212  10.420  1.00  0.00           H  
ATOM    931  HB2 LYS A  65       5.769  -1.658  12.876  1.00  0.00           H  
ATOM    932  HB3 LYS A  65       4.824  -0.251  12.706  1.00  0.00           H  
ATOM    933  HG2 LYS A  65       3.630  -3.036  12.683  1.00  0.00           H  
ATOM    934  HG3 LYS A  65       3.723  -1.943  14.086  1.00  0.00           H  
ATOM    935  HD2 LYS A  65       2.423  -0.289  12.535  1.00  0.00           H  
ATOM    936  HD3 LYS A  65       1.998  -1.768  11.646  1.00  0.00           H  
ATOM    937  HE2 LYS A  65       1.451  -1.177  14.609  1.00  0.00           H  
ATOM    938  HE3 LYS A  65       0.272  -1.183  13.299  1.00  0.00           H  
ATOM    939  HZ1 LYS A  65       1.197  -3.620  13.065  1.00  0.00           H  
ATOM    940  HZ2 LYS A  65       1.519  -3.402  14.668  1.00  0.00           H  
ATOM    941  HZ3 LYS A  65      -0.032  -3.265  14.077  1.00  0.00           H  
ATOM    942  N   SER A  66       7.248  -0.528  10.243  1.00  0.00           N  
ATOM    943  CA  SER A  66       8.231   0.286   9.550  1.00  0.00           C  
ATOM    944  C   SER A  66       7.703   0.775   8.190  1.00  0.00           C  
ATOM    945  O   SER A  66       7.824   1.953   7.850  1.00  0.00           O  
ATOM    946  CB  SER A  66       9.504  -0.550   9.402  1.00  0.00           C  
ATOM    947  OG  SER A  66       9.665  -1.384  10.541  1.00  0.00           O  
ATOM    948  H   SER A  66       7.607  -1.379  10.658  1.00  0.00           H  
ATOM    949  HA  SER A  66       8.472   1.140  10.169  1.00  0.00           H  
ATOM    950  HB2 SER A  66       9.416  -1.162   8.511  1.00  0.00           H  
ATOM    951  HB3 SER A  66      10.366   0.110   9.292  1.00  0.00           H  
ATOM    952  HG  SER A  66       9.655  -2.321  10.287  1.00  0.00           H  
ATOM    953  N   TYR A  67       7.079  -0.117   7.412  1.00  0.00           N  
ATOM    954  CA  TYR A  67       6.492   0.265   6.140  1.00  0.00           C  
ATOM    955  C   TYR A  67       5.302   1.193   6.324  1.00  0.00           C  
ATOM    956  O   TYR A  67       5.088   2.034   5.463  1.00  0.00           O  
ATOM    957  CB  TYR A  67       6.043  -0.935   5.309  1.00  0.00           C  
ATOM    958  CG  TYR A  67       7.173  -1.773   4.745  1.00  0.00           C  
ATOM    959  CD1 TYR A  67       7.894  -1.316   3.626  1.00  0.00           C  
ATOM    960  CD2 TYR A  67       7.517  -3.000   5.342  1.00  0.00           C  
ATOM    961  CE1 TYR A  67       8.956  -2.080   3.113  1.00  0.00           C  
ATOM    962  CE2 TYR A  67       8.583  -3.760   4.830  1.00  0.00           C  
ATOM    963  CZ  TYR A  67       9.285  -3.315   3.696  1.00  0.00           C  
ATOM    964  OH  TYR A  67      10.330  -4.032   3.196  1.00  0.00           O  
ATOM    965  H   TYR A  67       6.886  -1.049   7.762  1.00  0.00           H  
ATOM    966  HA  TYR A  67       7.247   0.802   5.564  1.00  0.00           H  
ATOM    967  HB2 TYR A  67       5.373  -1.554   5.902  1.00  0.00           H  
ATOM    968  HB3 TYR A  67       5.456  -0.524   4.482  1.00  0.00           H  
ATOM    969  HD1 TYR A  67       7.636  -0.377   3.157  1.00  0.00           H  
ATOM    970  HD2 TYR A  67       6.966  -3.358   6.196  1.00  0.00           H  
ATOM    971  HE1 TYR A  67       9.499  -1.736   2.245  1.00  0.00           H  
ATOM    972  HE2 TYR A  67       8.867  -4.684   5.312  1.00  0.00           H  
ATOM    973  HH  TYR A  67      10.445  -4.908   3.609  1.00  0.00           H  
ATOM    974  N   ILE A  68       4.503   1.066   7.384  1.00  0.00           N  
ATOM    975  CA  ILE A  68       3.379   1.957   7.602  1.00  0.00           C  
ATOM    976  C   ILE A  68       3.950   3.353   7.804  1.00  0.00           C  
ATOM    977  O   ILE A  68       3.509   4.311   7.168  1.00  0.00           O  
ATOM    978  CB  ILE A  68       2.555   1.438   8.793  1.00  0.00           C  
ATOM    979  CG1 ILE A  68       1.618   0.298   8.383  1.00  0.00           C  
ATOM    980  CG2 ILE A  68       1.739   2.545   9.455  1.00  0.00           C  
ATOM    981  CD1 ILE A  68       2.278  -0.805   7.560  1.00  0.00           C  
ATOM    982  H   ILE A  68       4.720   0.442   8.150  1.00  0.00           H  
ATOM    983  HA  ILE A  68       2.743   1.995   6.719  1.00  0.00           H  
ATOM    984  HB  ILE A  68       3.205   1.048   9.568  1.00  0.00           H  
ATOM    985 HG12 ILE A  68       1.234  -0.155   9.294  1.00  0.00           H  
ATOM    986 HG13 ILE A  68       0.790   0.695   7.803  1.00  0.00           H  
ATOM    987 HG21 ILE A  68       1.095   3.021   8.717  1.00  0.00           H  
ATOM    988 HG22 ILE A  68       1.141   2.116  10.257  1.00  0.00           H  
ATOM    989 HG23 ILE A  68       2.416   3.276   9.893  1.00  0.00           H  
ATOM    990 HD11 ILE A  68       3.135  -1.208   8.097  1.00  0.00           H  
ATOM    991 HD12 ILE A  68       1.541  -1.585   7.409  1.00  0.00           H  
ATOM    992 HD13 ILE A  68       2.584  -0.445   6.578  1.00  0.00           H  
ATOM    993  N   GLN A  69       4.979   3.454   8.649  1.00  0.00           N  
ATOM    994  CA  GLN A  69       5.683   4.707   8.840  1.00  0.00           C  
ATOM    995  C   GLN A  69       6.187   5.237   7.493  1.00  0.00           C  
ATOM    996  O   GLN A  69       5.980   6.406   7.179  1.00  0.00           O  
ATOM    997  CB  GLN A  69       6.806   4.523   9.871  1.00  0.00           C  
ATOM    998  CG  GLN A  69       7.386   5.854  10.367  1.00  0.00           C  
ATOM    999  CD  GLN A  69       6.388   6.643  11.209  1.00  0.00           C  
ATOM   1000  OE1 GLN A  69       6.284   6.439  12.413  1.00  0.00           O  
ATOM   1001  NE2 GLN A  69       5.640   7.550  10.587  1.00  0.00           N  
ATOM   1002  H   GLN A  69       5.298   2.618   9.134  1.00  0.00           H  
ATOM   1003  HA  GLN A  69       4.950   5.410   9.231  1.00  0.00           H  
ATOM   1004  HB2 GLN A  69       6.417   3.979  10.734  1.00  0.00           H  
ATOM   1005  HB3 GLN A  69       7.611   3.937   9.431  1.00  0.00           H  
ATOM   1006  HG2 GLN A  69       8.249   5.633  10.997  1.00  0.00           H  
ATOM   1007  HG3 GLN A  69       7.722   6.460   9.526  1.00  0.00           H  
ATOM   1008 HE21 GLN A  69       5.746   7.711   9.596  1.00  0.00           H  
ATOM   1009 HE22 GLN A  69       4.991   8.088  11.141  1.00  0.00           H  
ATOM   1010  N   LYS A  70       6.816   4.388   6.675  1.00  0.00           N  
ATOM   1011  CA  LYS A  70       7.369   4.812   5.395  1.00  0.00           C  
ATOM   1012  C   LYS A  70       6.285   5.300   4.436  1.00  0.00           C  
ATOM   1013  O   LYS A  70       6.473   6.311   3.754  1.00  0.00           O  
ATOM   1014  CB  LYS A  70       8.179   3.672   4.761  1.00  0.00           C  
ATOM   1015  CG  LYS A  70       8.949   4.106   3.505  1.00  0.00           C  
ATOM   1016  CD  LYS A  70      10.081   5.110   3.793  1.00  0.00           C  
ATOM   1017  CE  LYS A  70      10.117   6.228   2.740  1.00  0.00           C  
ATOM   1018  NZ  LYS A  70       8.977   7.166   2.860  1.00  0.00           N  
ATOM   1019  H   LYS A  70       6.963   3.431   6.981  1.00  0.00           H  
ATOM   1020  HA  LYS A  70       8.006   5.662   5.609  1.00  0.00           H  
ATOM   1021  HB2 LYS A  70       8.866   3.246   5.486  1.00  0.00           H  
ATOM   1022  HB3 LYS A  70       7.479   2.894   4.468  1.00  0.00           H  
ATOM   1023  HG2 LYS A  70       9.379   3.226   3.020  1.00  0.00           H  
ATOM   1024  HG3 LYS A  70       8.233   4.515   2.803  1.00  0.00           H  
ATOM   1025  HD2 LYS A  70      10.005   5.547   4.789  1.00  0.00           H  
ATOM   1026  HD3 LYS A  70      11.028   4.566   3.761  1.00  0.00           H  
ATOM   1027  HE2 LYS A  70      11.039   6.800   2.866  1.00  0.00           H  
ATOM   1028  HE3 LYS A  70      10.131   5.783   1.744  1.00  0.00           H  
ATOM   1029  HZ1 LYS A  70       8.084   6.709   3.022  1.00  0.00           H  
ATOM   1030  HZ2 LYS A  70       9.139   7.803   3.638  1.00  0.00           H  
ATOM   1031  HZ3 LYS A  70       8.905   7.734   2.030  1.00  0.00           H  
ATOM   1032  N   ASN A  71       5.195   4.540   4.348  1.00  0.00           N  
ATOM   1033  CA  ASN A  71       4.018   4.857   3.547  1.00  0.00           C  
ATOM   1034  C   ASN A  71       3.404   6.194   3.979  1.00  0.00           C  
ATOM   1035  O   ASN A  71       3.057   7.011   3.130  1.00  0.00           O  
ATOM   1036  CB  ASN A  71       2.993   3.719   3.601  1.00  0.00           C  
ATOM   1037  CG  ASN A  71       3.236   2.602   2.582  1.00  0.00           C  
ATOM   1038  OD1 ASN A  71       2.604   2.542   1.530  1.00  0.00           O  
ATOM   1039  ND2 ASN A  71       4.144   1.683   2.882  1.00  0.00           N  
ATOM   1040  H   ASN A  71       5.210   3.677   4.886  1.00  0.00           H  
ATOM   1041  HA  ASN A  71       4.314   4.957   2.511  1.00  0.00           H  
ATOM   1042  HB2 ASN A  71       2.966   3.323   4.608  1.00  0.00           H  
ATOM   1043  HB3 ASN A  71       2.017   4.125   3.378  1.00  0.00           H  
ATOM   1044 HD21 ASN A  71       4.622   1.728   3.773  1.00  0.00           H  
ATOM   1045 HD22 ASN A  71       4.306   0.924   2.240  1.00  0.00           H  
ATOM   1046  N   ARG A  72       3.297   6.445   5.289  1.00  0.00           N  
ATOM   1047  CA  ARG A  72       2.848   7.708   5.849  1.00  0.00           C  
ATOM   1048  C   ARG A  72       3.749   8.813   5.302  1.00  0.00           C  
ATOM   1049  O   ARG A  72       3.304   9.749   4.626  1.00  0.00           O  
ATOM   1050  CB  ARG A  72       2.960   7.580   7.374  1.00  0.00           C  
ATOM   1051  CG  ARG A  72       2.240   8.659   8.181  1.00  0.00           C  
ATOM   1052  CD  ARG A  72       1.300   7.964   9.163  1.00  0.00           C  
ATOM   1053  NE  ARG A  72       0.138   7.422   8.447  1.00  0.00           N  
ATOM   1054  CZ  ARG A  72      -0.686   6.456   8.894  1.00  0.00           C  
ATOM   1055  NH1 ARG A  72      -0.255   5.484   9.698  1.00  0.00           N  
ATOM   1056  NH2 ARG A  72      -1.967   6.437   8.547  1.00  0.00           N  
ATOM   1057  H   ARG A  72       3.638   5.778   5.969  1.00  0.00           H  
ATOM   1058  HA  ARG A  72       1.801   7.881   5.612  1.00  0.00           H  
ATOM   1059  HB2 ARG A  72       2.563   6.604   7.638  1.00  0.00           H  
ATOM   1060  HB3 ARG A  72       3.994   7.593   7.692  1.00  0.00           H  
ATOM   1061  HG2 ARG A  72       2.971   9.255   8.730  1.00  0.00           H  
ATOM   1062  HG3 ARG A  72       1.663   9.318   7.538  1.00  0.00           H  
ATOM   1063  HD2 ARG A  72       1.854   7.200   9.705  1.00  0.00           H  
ATOM   1064  HD3 ARG A  72       0.934   8.709   9.870  1.00  0.00           H  
ATOM   1065  HE  ARG A  72      -0.136   7.952   7.615  1.00  0.00           H  
ATOM   1066 HH11 ARG A  72       0.700   5.413   9.999  1.00  0.00           H  
ATOM   1067 HH12 ARG A  72      -0.940   4.740   9.892  1.00  0.00           H  
ATOM   1068 HH21 ARG A  72      -2.357   7.278   8.099  1.00  0.00           H  
ATOM   1069 HH22 ARG A  72      -2.539   5.631   8.832  1.00  0.00           H  
ATOM   1070  N   ASP A  73       5.035   8.634   5.610  1.00  0.00           N  
ATOM   1071  CA  ASP A  73       6.131   9.557   5.438  1.00  0.00           C  
ATOM   1072  C   ASP A  73       6.328   9.974   3.984  1.00  0.00           C  
ATOM   1073  O   ASP A  73       6.600  11.146   3.726  1.00  0.00           O  
ATOM   1074  CB  ASP A  73       7.360   8.816   5.960  1.00  0.00           C  
ATOM   1075  CG  ASP A  73       8.642   9.535   5.601  1.00  0.00           C  
ATOM   1076  OD1 ASP A  73       8.922  10.566   6.245  1.00  0.00           O  
ATOM   1077  OD2 ASP A  73       9.270   9.092   4.616  1.00  0.00           O  
ATOM   1078  H   ASP A  73       5.288   7.772   6.090  1.00  0.00           H  
ATOM   1079  HA  ASP A  73       5.947  10.451   6.041  1.00  0.00           H  
ATOM   1080  HB2 ASP A  73       7.267   8.692   7.038  1.00  0.00           H  
ATOM   1081  HB3 ASP A  73       7.374   7.823   5.519  1.00  0.00           H  
ATOM   1082  N   PHE A  74       6.214   9.017   3.056  1.00  0.00           N  
ATOM   1083  CA  PHE A  74       6.347   9.235   1.615  1.00  0.00           C  
ATOM   1084  C   PHE A  74       5.729  10.563   1.178  1.00  0.00           C  
ATOM   1085  O   PHE A  74       6.372  11.354   0.493  1.00  0.00           O  
ATOM   1086  CB  PHE A  74       5.735   8.075   0.825  1.00  0.00           C  
ATOM   1087  CG  PHE A  74       6.733   7.200   0.094  1.00  0.00           C  
ATOM   1088  CD1 PHE A  74       7.253   7.624  -1.143  1.00  0.00           C  
ATOM   1089  CD2 PHE A  74       7.091   5.939   0.600  1.00  0.00           C  
ATOM   1090  CE1 PHE A  74       8.152   6.805  -1.850  1.00  0.00           C  
ATOM   1091  CE2 PHE A  74       8.074   5.175  -0.050  1.00  0.00           C  
ATOM   1092  CZ  PHE A  74       8.593   5.598  -1.283  1.00  0.00           C  
ATOM   1093  H   PHE A  74       6.013   8.080   3.389  1.00  0.00           H  
ATOM   1094  HA  PHE A  74       7.391   9.260   1.344  1.00  0.00           H  
ATOM   1095  HB2 PHE A  74       5.096   7.479   1.470  1.00  0.00           H  
ATOM   1096  HB3 PHE A  74       5.109   8.516   0.058  1.00  0.00           H  
ATOM   1097  HD1 PHE A  74       6.924   8.556  -1.583  1.00  0.00           H  
ATOM   1098  HD2 PHE A  74       6.553   5.517   1.433  1.00  0.00           H  
ATOM   1099  HE1 PHE A  74       8.490   7.099  -2.834  1.00  0.00           H  
ATOM   1100  HE2 PHE A  74       8.388   4.224   0.352  1.00  0.00           H  
ATOM   1101  HZ  PHE A  74       9.291   4.963  -1.809  1.00  0.00           H  
ATOM   1102  N   PHE A  75       4.473  10.770   1.567  1.00  0.00           N  
ATOM   1103  CA  PHE A  75       3.658  11.875   1.087  1.00  0.00           C  
ATOM   1104  C   PHE A  75       3.546  12.982   2.136  1.00  0.00           C  
ATOM   1105  O   PHE A  75       3.250  14.123   1.794  1.00  0.00           O  
ATOM   1106  CB  PHE A  75       2.298  11.329   0.657  1.00  0.00           C  
ATOM   1107  CG  PHE A  75       2.393  10.014  -0.098  1.00  0.00           C  
ATOM   1108  CD1 PHE A  75       2.927   9.998  -1.400  1.00  0.00           C  
ATOM   1109  CD2 PHE A  75       2.152   8.798   0.571  1.00  0.00           C  
ATOM   1110  CE1 PHE A  75       3.219   8.774  -2.026  1.00  0.00           C  
ATOM   1111  CE2 PHE A  75       2.402   7.574  -0.071  1.00  0.00           C  
ATOM   1112  CZ  PHE A  75       2.956   7.565  -1.361  1.00  0.00           C  
ATOM   1113  H   PHE A  75       4.023  10.051   2.116  1.00  0.00           H  
ATOM   1114  HA  PHE A  75       4.099  12.307   0.193  1.00  0.00           H  
ATOM   1115  HB2 PHE A  75       1.714  11.194   1.556  1.00  0.00           H  
ATOM   1116  HB3 PHE A  75       1.783  12.070   0.042  1.00  0.00           H  
ATOM   1117  HD1 PHE A  75       3.149  10.925  -1.908  1.00  0.00           H  
ATOM   1118  HD2 PHE A  75       1.779   8.789   1.583  1.00  0.00           H  
ATOM   1119  HE1 PHE A  75       3.637   8.764  -3.022  1.00  0.00           H  
ATOM   1120  HE2 PHE A  75       2.185   6.644   0.436  1.00  0.00           H  
ATOM   1121  HZ  PHE A  75       3.166   6.627  -1.845  1.00  0.00           H  
ATOM   1122  N   LYS A  76       3.781  12.663   3.415  1.00  0.00           N  
ATOM   1123  CA  LYS A  76       3.909  13.679   4.451  1.00  0.00           C  
ATOM   1124  C   LYS A  76       5.335  14.228   4.369  1.00  0.00           C  
ATOM   1125  O   LYS A  76       6.198  13.867   5.172  1.00  0.00           O  
ATOM   1126  CB  LYS A  76       3.626  13.082   5.839  1.00  0.00           C  
ATOM   1127  CG  LYS A  76       2.161  13.162   6.310  1.00  0.00           C  
ATOM   1128  CD  LYS A  76       1.315  11.920   6.007  1.00  0.00           C  
ATOM   1129  CE  LYS A  76       0.736  11.848   4.588  1.00  0.00           C  
ATOM   1130  NZ  LYS A  76       0.614  10.446   4.147  1.00  0.00           N  
ATOM   1131  H   LYS A  76       4.058  11.718   3.645  1.00  0.00           H  
ATOM   1132  HA  LYS A  76       3.220  14.507   4.278  1.00  0.00           H  
ATOM   1133  HB2 LYS A  76       4.008  12.064   5.907  1.00  0.00           H  
ATOM   1134  HB3 LYS A  76       4.197  13.682   6.547  1.00  0.00           H  
ATOM   1135  HG2 LYS A  76       2.220  13.216   7.398  1.00  0.00           H  
ATOM   1136  HG3 LYS A  76       1.673  14.071   5.955  1.00  0.00           H  
ATOM   1137  HD2 LYS A  76       1.937  11.053   6.206  1.00  0.00           H  
ATOM   1138  HD3 LYS A  76       0.475  11.880   6.705  1.00  0.00           H  
ATOM   1139  HE2 LYS A  76      -0.250  12.316   4.574  1.00  0.00           H  
ATOM   1140  HE3 LYS A  76       1.363  12.382   3.882  1.00  0.00           H  
ATOM   1141  HZ1 LYS A  76       0.037   9.907   4.797  1.00  0.00           H  
ATOM   1142  HZ2 LYS A  76       0.151  10.377   3.239  1.00  0.00           H  
ATOM   1143  HZ3 LYS A  76       1.530  10.010   4.103  1.00  0.00           H  
ATOM   1144  N   LYS A  77       5.612  15.058   3.368  1.00  0.00           N  
ATOM   1145  CA  LYS A  77       6.954  15.487   3.043  1.00  0.00           C  
ATOM   1146  C   LYS A  77       6.847  16.803   2.280  1.00  0.00           C  
ATOM   1147  O   LYS A  77       5.723  17.079   1.803  1.00  0.00           O  
ATOM   1148  CB  LYS A  77       7.606  14.383   2.197  1.00  0.00           C  
ATOM   1149  CG  LYS A  77       9.134  14.480   2.107  1.00  0.00           C  
ATOM   1150  CD  LYS A  77       9.894  14.271   3.428  1.00  0.00           C  
ATOM   1151  CE  LYS A  77       9.731  12.882   4.072  1.00  0.00           C  
ATOM   1152  NZ  LYS A  77       8.466  12.706   4.806  1.00  0.00           N  
ATOM   1153  OXT LYS A  77       7.882  17.498   2.196  1.00  0.00           O  
ATOM   1154  H   LYS A  77       4.896  15.404   2.732  1.00  0.00           H  
ATOM   1155  HA  LYS A  77       7.509  15.668   3.962  1.00  0.00           H  
ATOM   1156  HB2 LYS A  77       7.321  13.407   2.581  1.00  0.00           H  
ATOM   1157  HB3 LYS A  77       7.196  14.455   1.188  1.00  0.00           H  
ATOM   1158  HG2 LYS A  77       9.478  13.743   1.379  1.00  0.00           H  
ATOM   1159  HG3 LYS A  77       9.384  15.470   1.718  1.00  0.00           H  
ATOM   1160  HD2 LYS A  77      10.954  14.392   3.191  1.00  0.00           H  
ATOM   1161  HD3 LYS A  77       9.644  15.059   4.141  1.00  0.00           H  
ATOM   1162  HE2 LYS A  77       9.810  12.084   3.331  1.00  0.00           H  
ATOM   1163  HE3 LYS A  77      10.532  12.742   4.799  1.00  0.00           H  
ATOM   1164  HZ1 LYS A  77       8.099  13.537   5.255  1.00  0.00           H  
ATOM   1165  HZ2 LYS A  77       7.721  12.369   4.202  1.00  0.00           H  
ATOM   1166  HZ3 LYS A  77       8.596  11.982   5.508  1.00  0.00           H  
TER    1167      LYS A  77                                                      
HETATM 1168 FE1  SF4 A  78       2.435  -4.645  -4.283  1.00  0.00          FE  
HETATM 1169 FE2  SF4 A  78       1.669  -5.244  -6.659  1.00  0.00          FE  
HETATM 1170 FE3  SF4 A  78       0.340  -3.701  -5.314  1.00  0.00          FE  
HETATM 1171 FE4  SF4 A  78       0.409  -6.150  -4.694  1.00  0.00          FE  
HETATM 1172  S1  SF4 A  78      -0.506  -5.496  -6.470  1.00  0.00           S  
HETATM 1173  S2  SF4 A  78       0.451  -4.420  -3.384  1.00  0.00           S  
HETATM 1174  S3  SF4 A  78       2.450  -6.700  -5.267  1.00  0.00           S  
HETATM 1175  S4  SF4 A  78       2.331  -3.332  -6.083  1.00  0.00           S  
HETATM 1176 FE1  SF4 A  79      -7.428   2.785  -2.306  1.00  0.00          FE  
HETATM 1177 FE2  SF4 A  79      -7.378   2.308   0.207  1.00  0.00          FE  
HETATM 1178 FE3  SF4 A  79      -9.086   1.228  -1.195  1.00  0.00          FE  
HETATM 1179 FE4  SF4 A  79      -6.703   0.469  -1.339  1.00  0.00          FE  
HETATM 1180  S1  SF4 A  79      -7.838   0.193   0.393  1.00  0.00           S  
HETATM 1181  S2  SF4 A  79      -8.105   0.793  -2.950  1.00  0.00           S  
HETATM 1182  S3  SF4 A  79      -5.590   2.339  -1.059  1.00  0.00           S  
HETATM 1183  S4  SF4 A  79      -8.965   3.347  -0.731  1.00  0.00           S  
CONECT  117 1168                                                                
CONECT  189 1169                                                                
CONECT  220 1170                                                                
CONECT  277 1176                                                                
CONECT  557 1177                                                                
CONECT  598 1178                                                                
CONECT  625 1179                                                                
CONECT  676 1171                                                                
CONECT 1168  117 1173 1174 1175                                                 
CONECT 1169  189 1172 1174 1175                                                 
CONECT 1170  220 1172 1173 1175                                                 
CONECT 1171  676 1172 1173 1174                                                 
CONECT 1172 1169 1170 1171                                                      
CONECT 1173 1168 1170 1171                                                      
CONECT 1174 1168 1169 1171                                                      
CONECT 1175 1168 1169 1170                                                      
CONECT 1176  277 1181 1182 1183                                                 
CONECT 1177  557 1180 1182 1183                                                 
CONECT 1178  598 1180 1181 1183                                                 
CONECT 1179  625 1180 1181 1182                                                 
CONECT 1180 1177 1178 1179                                                      
CONECT 1181 1176 1178 1179                                                      
CONECT 1182 1176 1177 1179                                                      
CONECT 1183 1176 1177 1178                                                      
MASTER      222    0    2    2    2    0    4    6  624    1   24    6          
END