HEADER    VIRAL PROTEIN                           01-AUG-03   1Q3Z              
TITLE     NMR STRUCTURE OF THE CYS28HIS MUTANT (E FORM) OF THE NUCLEOCAPSID     
TITLE    2 PROTEIN NCP7 OF HIV-1.                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GAG PROTEIN;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 390-431;                                          
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: TWO PEPTIDES HAVE BEEN CHEMICALLY SYNTHESIZED WITH    
SOURCE   4 AND WITHOUT A 15N/13C LABELLED HISTIDINE RESIDUE AT POSITION 28      
KEYWDS    CCHC ZINC KNUCKLE, CCHH ZINC KNUCKLE, VIRAL PROTEIN                   
EXPDTA    SOLUTION NMR                                                          
AUTHOR    S.RAMBOARINA,S.DRUILLENNEC,N.MORELLET,S.BOUAZIZ,B.P.ROQUES            
REVDAT   3   27-OCT-21 1Q3Z    1       REMARK SEQADV LINK                       
REVDAT   2   24-FEB-09 1Q3Z    1       VERSN                                    
REVDAT   1   07-SEP-04 1Q3Z    0                                                
JRNL        AUTH   S.RAMBOARINA,S.DRUILLENNEC,N.MORELLET,S.BOUAZIZ,B.P.ROQUES   
JRNL        TITL   TARGET SPECIFICITY OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1    
JRNL        TITL 2 NCP7 REQUIRES AN INTACT CONFORMATION OF ITS CCHC N-TERMINAL  
JRNL        TITL 3 ZINC FINGER.                                                 
JRNL        REF    J.VIROL.                      V.  78  6682 2004              
JRNL        REFN                   ISSN 0022-538X                               
JRNL        PMID   15163759                                                     
JRNL        DOI    10.1128/JVI.78.12.6682-6687.2004                             
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.RAMBOARINA,N.MORELLET,M.C.FOURNIE-ZALUSKI,B.P.ROQUES       
REMARK   1  TITL   STRUCTURAL INVESTIGATION ON THE REQUIREMENT OF CCHH ZINC     
REMARK   1  TITL 2 FINGER TYPE IN NUCLEOCAPSID PROTEIN OF HUMAN                 
REMARK   1  TITL 3 IMMUNODEFICIENCY VIRUS 1.                                    
REMARK   1  REF    BIOCHEMISTRY                  V.  38  9600 1999              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1  DOI    10.1021/BI9905258                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR VERSION 3.0, X-PLOR VERSION 3.851            
REMARK   3   AUTHORS     : BRUKER (XWINNMR), BRUNGER (X-PLOR)                   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE HAS BEEN CALCULATED USING   
REMARK   3  339 NOE DERIVED DISTANCE RESTRAINTS.                                
REMARK   4                                                                      
REMARK   4 1Q3Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-AUG-03.                  
REMARK 100 THE DEPOSITION ID IS D_1000019886.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 278; 293                           
REMARK 210  PH                             : 6.6; 6.6                           
REMARK 210  IONIC STRENGTH                 : 6 MM ZNSO4; 6 MM ZNSO4             
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT                   
REMARK 210  SAMPLE CONTENTS                : 2 MM HIS28(12-53)NCP7 90% H2O,     
REMARK 210                                   10% D2O WITH 3 EQUIVALENTS OF      
REMARK 210                                   ZINC; 2 MM HIS28(12-53)NCP7 100%   
REMARK 210                                   D2O WITH 3 EQUIVALENTS OF ZINC     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D TOCSY; 2D NOESY; 1H-15N HSQC    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR VERSION 3.0, FELIX         
REMARK 210                                   VERSION 98.0                       
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING AND MOLECULAR DYNAMICS   
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH ACCEPTABLE         
REMARK 210                                   COVALENT GEOMETRY,STRUCTURES       
REMARK 210                                   WITH FAVORABLE NON-BOND ENERGY,    
REMARK 210                                   STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS,STRUCTURES    
REMARK 210                                   WITH THE LOWEST ENERGY             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED                                 
REMARK 210  USING STANDARD 2D HOMONUCLEAR                                       
REMARK 210  EXPERIMENTS AND 1H-15N HSQC                                         
REMARK 210  EXPERIMENTS.                                                        
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     ASN A    12                                                      
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    PHE A  16      -55.91     74.34                                   
REMARK 500    ASN A  17      -40.01   -158.45                                   
REMARK 500    THR A  24       99.83     51.54                                   
REMARK 500    ARG A  26      -52.98   -151.11                                   
REMARK 500    LYS A  33      158.80     68.27                                   
REMARK 500    TRP A  37       19.60     54.51                                   
REMARK 500    LYS A  38      -38.74   -172.57                                   
REMARK 500    GLN A  45     -150.59   -108.48                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  26         0.27    SIDE CHAIN                              
REMARK 500    ARG A  29         0.25    SIDE CHAIN                              
REMARK 500    ARG A  32         0.27    SIDE CHAIN                              
REMARK 500    ARG A  52         0.29    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                              ZN A   1  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  15   SG                                                     
REMARK 620 2 CYS A  18   SG  118.8                                              
REMARK 620 3 HIS A  23   ND1 106.3 127.0                                        
REMARK 620 4 HIS A  28   NE2  79.4  91.3  70.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A   2  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  36   SG                                                     
REMARK 620 2 CYS A  39   SG  119.6                                              
REMARK 620 3 HIS A  44   NE2  88.6 113.1                                        
REMARK 620 4 CYS A  49   SG  107.6 111.7 114.5                                  
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 ZN A 1                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2                    
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1ESK   RELATED DB: PDB                                   
REMARK 900 WILD TYPE SEQUENCE OF THE SAME PROTEIN                               
REMARK 900 RELATED ID: 1Q3Y   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF THE CYS28HIS MUTANT (D FORM) OF THE NUCLEOCAPSID    
REMARK 900 PROTEIN NCP7 OF HIV-1.                                               
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE SEQUENCE HERE CORRESPONDS TO A STRAIN DIFFERENT                  
REMARK 999 THAN THAT FOUND IN THE SEQUENCE DATABASE (GENBANK ACCESSION          
REMARK 999 CAB98186).                                                           
DBREF  1Q3Z A   12    53  UNP    Q9PY17   Q9PY17_9HIV1   390    431             
SEQADV 1Q3Z VAL A   13  UNP  Q9PY17    ILE   391 SEE REMARK 999                 
SEQADV 1Q3Z HIS A   28  UNP  Q9PY17    CYS   406 ENGINEERED MUTATION            
SEQRES   1 A   42  ASN VAL LYS CYS PHE ASN CYS GLY LYS GLU GLY HIS THR          
SEQRES   2 A   42  ALA ARG ASN HIS ARG ALA PRO ARG LYS LYS GLY CYS TRP          
SEQRES   3 A   42  LYS CYS GLY LYS GLU GLY HIS GLN MET LYS ASP CYS THR          
SEQRES   4 A   42  GLU ARG GLN                                                  
HET     ZN  A   1       1                                                       
HET     ZN  A   2       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    2(ZN 2+)                                                     
LINK        ZN    ZN A   1                 SG  CYS A  15     1555   1555  2.56  
LINK        ZN    ZN A   1                 SG  CYS A  18     1555   1555  2.54  
LINK        ZN    ZN A   1                 ND1 HIS A  23     1555   1555  2.24  
LINK        ZN    ZN A   1                 NE2 HIS A  28     1555   1555  2.35  
LINK        ZN    ZN A   2                 SG  CYS A  36     1555   1555  2.62  
LINK        ZN    ZN A   2                 SG  CYS A  39     1555   1555  2.63  
LINK        ZN    ZN A   2                 NE2 HIS A  44     1555   1555  2.40  
LINK        ZN    ZN A   2                 SG  CYS A  49     1555   1555  2.61  
SITE     1 AC1  5 CYS A  15  CYS A  18  LYS A  20  HIS A  23                    
SITE     2 AC1  5 HIS A  28                                                     
SITE     1 AC2  5 CYS A  36  CYS A  39  LYS A  41  HIS A  44                    
SITE     2 AC2  5 CYS A  49                                                     
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   VAL A  13     -18.716   0.083  -2.061  1.00  0.00           N  
ATOM      2  CA  VAL A  13     -18.314   1.519  -2.087  1.00  0.00           C  
ATOM      3  C   VAL A  13     -17.311   1.807  -0.967  1.00  0.00           C  
ATOM      4  O   VAL A  13     -16.191   2.206  -1.212  1.00  0.00           O  
ATOM      5  CB  VAL A  13     -19.610   2.300  -1.864  1.00  0.00           C  
ATOM      6  CG1 VAL A  13     -19.280   3.733  -1.439  1.00  0.00           C  
ATOM      7  CG2 VAL A  13     -20.416   2.329  -3.165  1.00  0.00           C  
ATOM      8  HA  VAL A  13     -17.892   1.774  -3.046  1.00  0.00           H  
ATOM      9  HB  VAL A  13     -20.191   1.820  -1.089  1.00  0.00           H  
ATOM     10 HG11 VAL A  13     -18.297   3.997  -1.796  1.00  0.00           H  
ATOM     11 HG12 VAL A  13     -19.302   3.803  -0.361  1.00  0.00           H  
ATOM     12 HG13 VAL A  13     -20.010   4.410  -1.858  1.00  0.00           H  
ATOM     13 HG21 VAL A  13     -21.254   1.652  -3.084  1.00  0.00           H  
ATOM     14 HG22 VAL A  13     -19.785   2.024  -3.986  1.00  0.00           H  
ATOM     15 HG23 VAL A  13     -20.779   3.331  -3.342  1.00  0.00           H  
ATOM     16  N   LYS A  14     -17.705   1.605   0.260  1.00  0.00           N  
ATOM     17  CA  LYS A  14     -16.773   1.866   1.393  1.00  0.00           C  
ATOM     18  C   LYS A  14     -15.777   0.713   1.528  1.00  0.00           C  
ATOM     19  O   LYS A  14     -16.155  -0.433   1.666  1.00  0.00           O  
ATOM     20  CB  LYS A  14     -17.670   1.951   2.628  1.00  0.00           C  
ATOM     21  CG  LYS A  14     -16.815   2.217   3.868  1.00  0.00           C  
ATOM     22  CD  LYS A  14     -17.643   1.948   5.125  1.00  0.00           C  
ATOM     23  CE  LYS A  14     -17.922   0.448   5.242  1.00  0.00           C  
ATOM     24  NZ  LYS A  14     -18.168   0.213   6.693  1.00  0.00           N  
ATOM     25  H   LYS A  14     -18.613   1.281   0.437  1.00  0.00           H  
ATOM     26  HA  LYS A  14     -16.255   2.799   1.248  1.00  0.00           H  
ATOM     27  HB2 LYS A  14     -18.381   2.755   2.500  1.00  0.00           H  
ATOM     28  HB3 LYS A  14     -18.200   1.018   2.752  1.00  0.00           H  
ATOM     29  HG2 LYS A  14     -15.953   1.566   3.858  1.00  0.00           H  
ATOM     30  HG3 LYS A  14     -16.490   3.246   3.867  1.00  0.00           H  
ATOM     31  HD2 LYS A  14     -17.097   2.283   5.994  1.00  0.00           H  
ATOM     32  HD3 LYS A  14     -18.579   2.482   5.060  1.00  0.00           H  
ATOM     33  HE2 LYS A  14     -18.795   0.183   4.662  1.00  0.00           H  
ATOM     34  HE3 LYS A  14     -17.065  -0.121   4.916  1.00  0.00           H  
ATOM     35  HZ1 LYS A  14     -17.350  -0.276   7.109  1.00  0.00           H  
ATOM     36  HZ2 LYS A  14     -19.020  -0.373   6.809  1.00  0.00           H  
ATOM     37  HZ3 LYS A  14     -18.305   1.125   7.173  1.00  0.00           H  
ATOM     38  N   CYS A  15     -14.506   1.007   1.487  1.00  0.00           N  
ATOM     39  CA  CYS A  15     -13.489  -0.077   1.611  1.00  0.00           C  
ATOM     40  C   CYS A  15     -13.331  -0.495   3.075  1.00  0.00           C  
ATOM     41  O   CYS A  15     -12.484   0.012   3.784  1.00  0.00           O  
ATOM     42  CB  CYS A  15     -12.186   0.525   1.082  1.00  0.00           C  
ATOM     43  SG  CYS A  15     -11.802   2.041   1.988  1.00  0.00           S  
ATOM     44  H   CYS A  15     -14.223   1.937   1.372  1.00  0.00           H  
ATOM     45  HA  CYS A  15     -13.771  -0.925   1.008  1.00  0.00           H  
ATOM     46  HB2 CYS A  15     -11.383  -0.184   1.213  1.00  0.00           H  
ATOM     47  HB3 CYS A  15     -12.295   0.754   0.034  1.00  0.00           H  
ATOM     48  N   PHE A  16     -14.145  -1.421   3.521  1.00  0.00           N  
ATOM     49  CA  PHE A  16     -14.072  -1.907   4.936  1.00  0.00           C  
ATOM     50  C   PHE A  16     -14.650  -0.874   5.912  1.00  0.00           C  
ATOM     51  O   PHE A  16     -15.543  -1.175   6.678  1.00  0.00           O  
ATOM     52  CB  PHE A  16     -12.587  -2.153   5.220  1.00  0.00           C  
ATOM     53  CG  PHE A  16     -12.448  -3.265   6.229  1.00  0.00           C  
ATOM     54  CD1 PHE A  16     -12.745  -4.583   5.863  1.00  0.00           C  
ATOM     55  CD2 PHE A  16     -12.023  -2.979   7.531  1.00  0.00           C  
ATOM     56  CE1 PHE A  16     -12.617  -5.615   6.799  1.00  0.00           C  
ATOM     57  CE2 PHE A  16     -11.895  -4.011   8.468  1.00  0.00           C  
ATOM     58  CZ  PHE A  16     -12.192  -5.329   8.102  1.00  0.00           C  
ATOM     59  H   PHE A  16     -14.812  -1.804   2.916  1.00  0.00           H  
ATOM     60  HA  PHE A  16     -14.612  -2.836   5.029  1.00  0.00           H  
ATOM     61  HB2 PHE A  16     -12.086  -2.432   4.303  1.00  0.00           H  
ATOM     62  HB3 PHE A  16     -12.142  -1.251   5.616  1.00  0.00           H  
ATOM     63  HD1 PHE A  16     -13.072  -4.803   4.858  1.00  0.00           H  
ATOM     64  HD2 PHE A  16     -11.794  -1.962   7.814  1.00  0.00           H  
ATOM     65  HE1 PHE A  16     -12.846  -6.631   6.517  1.00  0.00           H  
ATOM     66  HE2 PHE A  16     -11.567  -3.791   9.473  1.00  0.00           H  
ATOM     67  HZ  PHE A  16     -12.093  -6.126   8.824  1.00  0.00           H  
ATOM     68  N   ASN A  17     -14.151   0.334   5.905  1.00  0.00           N  
ATOM     69  CA  ASN A  17     -14.686   1.359   6.853  1.00  0.00           C  
ATOM     70  C   ASN A  17     -14.391   2.786   6.368  1.00  0.00           C  
ATOM     71  O   ASN A  17     -15.214   3.670   6.499  1.00  0.00           O  
ATOM     72  CB  ASN A  17     -13.956   1.089   8.169  1.00  0.00           C  
ATOM     73  CG  ASN A  17     -14.930   0.475   9.177  1.00  0.00           C  
ATOM     74  OD1 ASN A  17     -15.876   1.114   9.592  1.00  0.00           O  
ATOM     75  ND2 ASN A  17     -14.737  -0.748   9.590  1.00  0.00           N  
ATOM     76  H   ASN A  17     -13.426   0.563   5.289  1.00  0.00           H  
ATOM     77  HA  ASN A  17     -15.745   1.222   6.992  1.00  0.00           H  
ATOM     78  HB2 ASN A  17     -13.139   0.404   7.994  1.00  0.00           H  
ATOM     79  HB3 ASN A  17     -13.570   2.017   8.564  1.00  0.00           H  
ATOM     80 HD21 ASN A  17     -13.975  -1.264   9.254  1.00  0.00           H  
ATOM     81 HD22 ASN A  17     -15.355  -1.150  10.235  1.00  0.00           H  
ATOM     82  N   CYS A  18     -13.223   3.024   5.831  1.00  0.00           N  
ATOM     83  CA  CYS A  18     -12.875   4.400   5.361  1.00  0.00           C  
ATOM     84  C   CYS A  18     -13.929   4.939   4.385  1.00  0.00           C  
ATOM     85  O   CYS A  18     -14.647   5.869   4.694  1.00  0.00           O  
ATOM     86  CB  CYS A  18     -11.525   4.248   4.666  1.00  0.00           C  
ATOM     87  SG  CYS A  18     -10.993   5.848   4.007  1.00  0.00           S  
ATOM     88  H   CYS A  18     -12.565   2.302   5.750  1.00  0.00           H  
ATOM     89  HA  CYS A  18     -12.776   5.065   6.204  1.00  0.00           H  
ATOM     90  HB2 CYS A  18     -10.794   3.892   5.377  1.00  0.00           H  
ATOM     91  HB3 CYS A  18     -11.614   3.538   3.858  1.00  0.00           H  
ATOM     92  N   GLY A  19     -14.031   4.375   3.210  1.00  0.00           N  
ATOM     93  CA  GLY A  19     -15.042   4.881   2.239  1.00  0.00           C  
ATOM     94  C   GLY A  19     -14.485   4.829   0.813  1.00  0.00           C  
ATOM     95  O   GLY A  19     -15.229   4.732  -0.142  1.00  0.00           O  
ATOM     96  H   GLY A  19     -13.447   3.626   2.968  1.00  0.00           H  
ATOM     97  HA2 GLY A  19     -15.932   4.271   2.300  1.00  0.00           H  
ATOM     98  HA3 GLY A  19     -15.293   5.902   2.483  1.00  0.00           H  
ATOM     99  N   LYS A  20     -13.186   4.898   0.654  1.00  0.00           N  
ATOM    100  CA  LYS A  20     -12.603   4.856  -0.720  1.00  0.00           C  
ATOM    101  C   LYS A  20     -13.049   3.580  -1.442  1.00  0.00           C  
ATOM    102  O   LYS A  20     -13.175   2.531  -0.848  1.00  0.00           O  
ATOM    103  CB  LYS A  20     -11.085   4.866  -0.518  1.00  0.00           C  
ATOM    104  CG  LYS A  20     -10.393   4.650  -1.866  1.00  0.00           C  
ATOM    105  CD  LYS A  20      -8.985   5.250  -1.826  1.00  0.00           C  
ATOM    106  CE  LYS A  20      -9.079   6.771  -1.687  1.00  0.00           C  
ATOM    107  NZ  LYS A  20      -8.360   7.085  -0.422  1.00  0.00           N  
ATOM    108  H   LYS A  20     -12.598   4.982   1.433  1.00  0.00           H  
ATOM    109  HA  LYS A  20     -12.904   5.727  -1.280  1.00  0.00           H  
ATOM    110  HB2 LYS A  20     -10.784   5.818  -0.105  1.00  0.00           H  
ATOM    111  HB3 LYS A  20     -10.802   4.075   0.161  1.00  0.00           H  
ATOM    112  HG2 LYS A  20     -10.327   3.591  -2.071  1.00  0.00           H  
ATOM    113  HG3 LYS A  20     -10.965   5.132  -2.645  1.00  0.00           H  
ATOM    114  HD2 LYS A  20      -8.445   4.843  -0.985  1.00  0.00           H  
ATOM    115  HD3 LYS A  20      -8.465   5.006  -2.740  1.00  0.00           H  
ATOM    116  HE2 LYS A  20      -8.598   7.254  -2.527  1.00  0.00           H  
ATOM    117  HE3 LYS A  20     -10.110   7.080  -1.614  1.00  0.00           H  
ATOM    118  HZ1 LYS A  20      -7.404   6.678  -0.455  1.00  0.00           H  
ATOM    119  HZ2 LYS A  20      -8.882   6.681   0.383  1.00  0.00           H  
ATOM    120  HZ3 LYS A  20      -8.291   8.116  -0.308  1.00  0.00           H  
ATOM    121  N   GLU A  21     -13.301   3.666  -2.719  1.00  0.00           N  
ATOM    122  CA  GLU A  21     -13.752   2.461  -3.475  1.00  0.00           C  
ATOM    123  C   GLU A  21     -12.553   1.624  -3.933  1.00  0.00           C  
ATOM    124  O   GLU A  21     -12.650   0.423  -4.089  1.00  0.00           O  
ATOM    125  CB  GLU A  21     -14.510   3.013  -4.682  1.00  0.00           C  
ATOM    126  CG  GLU A  21     -16.000   2.698  -4.536  1.00  0.00           C  
ATOM    127  CD  GLU A  21     -16.727   3.913  -3.957  1.00  0.00           C  
ATOM    128  OE1 GLU A  21     -16.175   4.544  -3.070  1.00  0.00           O  
ATOM    129  OE2 GLU A  21     -17.826   4.191  -4.408  1.00  0.00           O  
ATOM    130  H   GLU A  21     -13.203   4.525  -3.180  1.00  0.00           H  
ATOM    131  HA  GLU A  21     -14.415   1.865  -2.869  1.00  0.00           H  
ATOM    132  HB2 GLU A  21     -14.370   4.083  -4.738  1.00  0.00           H  
ATOM    133  HB3 GLU A  21     -14.134   2.553  -5.584  1.00  0.00           H  
ATOM    134  HG2 GLU A  21     -16.413   2.459  -5.506  1.00  0.00           H  
ATOM    135  HG3 GLU A  21     -16.126   1.856  -3.874  1.00  0.00           H  
ATOM    136  N   GLY A  22     -11.424   2.243  -4.149  1.00  0.00           N  
ATOM    137  CA  GLY A  22     -10.228   1.476  -4.597  1.00  0.00           C  
ATOM    138  C   GLY A  22      -9.261   1.307  -3.425  1.00  0.00           C  
ATOM    139  O   GLY A  22      -8.065   1.466  -3.568  1.00  0.00           O  
ATOM    140  H   GLY A  22     -11.361   3.209  -4.017  1.00  0.00           H  
ATOM    141  HA2 GLY A  22     -10.536   0.504  -4.954  1.00  0.00           H  
ATOM    142  HA3 GLY A  22      -9.733   2.012  -5.392  1.00  0.00           H  
ATOM    143  N   HIS A  23      -9.769   0.984  -2.268  1.00  0.00           N  
ATOM    144  CA  HIS A  23      -8.874   0.804  -1.089  1.00  0.00           C  
ATOM    145  C   HIS A  23      -8.987  -0.619  -0.544  1.00  0.00           C  
ATOM    146  O   HIS A  23      -8.715  -0.853   0.611  1.00  0.00           O  
ATOM    147  CB  HIS A  23      -9.385   1.798  -0.050  1.00  0.00           C  
ATOM    148  CG  HIS A  23      -8.263   2.691   0.396  1.00  0.00           C  
ATOM    149  ND1 HIS A  23      -8.483   3.817   1.196  1.00  0.00           N  
ATOM    150  CD2 HIS A  23      -6.909   2.661   0.153  1.00  0.00           C  
ATOM    151  CE1 HIS A  23      -7.295   4.414   1.399  1.00  0.00           C  
ATOM    152  NE2 HIS A  23      -6.332   3.744   0.784  1.00  0.00           N  
ATOM    153  H   HIS A  23     -10.738   0.858  -2.172  1.00  0.00           H  
ATOM    154  HA  HIS A  23      -7.853   1.031  -1.348  1.00  0.00           H  
ATOM    155  HB2 HIS A  23     -10.172   2.398  -0.483  1.00  0.00           H  
ATOM    156  HB3 HIS A  23      -9.772   1.259   0.801  1.00  0.00           H  
ATOM    157  HD2 HIS A  23      -6.387   1.903  -0.410  1.00  0.00           H  
ATOM    158  HE1 HIS A  23      -7.152   5.316   1.971  1.00  0.00           H  
ATOM    159  HE2 HIS A  23      -5.380   3.975   0.781  1.00  0.00           H  
ATOM    160  N   THR A  24      -9.395  -1.559  -1.368  1.00  0.00           N  
ATOM    161  CA  THR A  24      -9.547  -2.979  -0.913  1.00  0.00           C  
ATOM    162  C   THR A  24     -10.400  -3.048   0.363  1.00  0.00           C  
ATOM    163  O   THR A  24      -9.941  -2.803   1.460  1.00  0.00           O  
ATOM    164  CB  THR A  24      -8.119  -3.511  -0.688  1.00  0.00           C  
ATOM    165  OG1 THR A  24      -7.643  -3.142   0.598  1.00  0.00           O  
ATOM    166  CG2 THR A  24      -7.188  -2.941  -1.758  1.00  0.00           C  
ATOM    167  H   THR A  24      -9.610  -1.328  -2.294  1.00  0.00           H  
ATOM    168  HA  THR A  24     -10.022  -3.555  -1.693  1.00  0.00           H  
ATOM    169  HB  THR A  24      -8.125  -4.586  -0.768  1.00  0.00           H  
ATOM    170  HG1 THR A  24      -7.568  -3.939   1.127  1.00  0.00           H  
ATOM    171 HG21 THR A  24      -6.254  -3.483  -1.749  1.00  0.00           H  
ATOM    172 HG22 THR A  24      -7.000  -1.897  -1.554  1.00  0.00           H  
ATOM    173 HG23 THR A  24      -7.652  -3.040  -2.729  1.00  0.00           H  
ATOM    174  N   ALA A  25     -11.655  -3.375   0.222  1.00  0.00           N  
ATOM    175  CA  ALA A  25     -12.548  -3.450   1.416  1.00  0.00           C  
ATOM    176  C   ALA A  25     -12.256  -4.713   2.235  1.00  0.00           C  
ATOM    177  O   ALA A  25     -13.117  -5.542   2.448  1.00  0.00           O  
ATOM    178  CB  ALA A  25     -13.962  -3.489   0.840  1.00  0.00           C  
ATOM    179  H   ALA A  25     -12.015  -3.564  -0.670  1.00  0.00           H  
ATOM    180  HA  ALA A  25     -12.427  -2.571   2.028  1.00  0.00           H  
ATOM    181  HB1 ALA A  25     -14.073  -2.697   0.112  1.00  0.00           H  
ATOM    182  HB2 ALA A  25     -14.678  -3.350   1.636  1.00  0.00           H  
ATOM    183  HB3 ALA A  25     -14.131  -4.442   0.364  1.00  0.00           H  
ATOM    184  N   ARG A  26     -11.044  -4.850   2.702  1.00  0.00           N  
ATOM    185  CA  ARG A  26     -10.663  -6.038   3.516  1.00  0.00           C  
ATOM    186  C   ARG A  26      -9.544  -5.644   4.483  1.00  0.00           C  
ATOM    187  O   ARG A  26      -9.636  -5.849   5.677  1.00  0.00           O  
ATOM    188  CB  ARG A  26     -10.154  -7.068   2.507  1.00  0.00           C  
ATOM    189  CG  ARG A  26     -11.332  -7.859   1.936  1.00  0.00           C  
ATOM    190  CD  ARG A  26     -11.539  -7.481   0.467  1.00  0.00           C  
ATOM    191  NE  ARG A  26     -10.336  -8.006  -0.238  1.00  0.00           N  
ATOM    192  CZ  ARG A  26      -9.494  -7.179  -0.796  1.00  0.00           C  
ATOM    193  NH1 ARG A  26      -9.900  -6.368  -1.735  1.00  0.00           N  
ATOM    194  NH2 ARG A  26      -8.247  -7.163  -0.414  1.00  0.00           N  
ATOM    195  H   ARG A  26     -10.377  -4.160   2.520  1.00  0.00           H  
ATOM    196  HA  ARG A  26     -11.515  -6.426   4.052  1.00  0.00           H  
ATOM    197  HB2 ARG A  26      -9.639  -6.560   1.705  1.00  0.00           H  
ATOM    198  HB3 ARG A  26      -9.473  -7.747   2.998  1.00  0.00           H  
ATOM    199  HG2 ARG A  26     -11.125  -8.917   2.012  1.00  0.00           H  
ATOM    200  HG3 ARG A  26     -12.225  -7.626   2.495  1.00  0.00           H  
ATOM    201  HD2 ARG A  26     -12.436  -7.947   0.084  1.00  0.00           H  
ATOM    202  HD3 ARG A  26     -11.593  -6.410   0.358  1.00  0.00           H  
ATOM    203  HE  ARG A  26     -10.177  -8.971  -0.283  1.00  0.00           H  
ATOM    204 HH11 ARG A  26     -10.857  -6.380  -2.027  1.00  0.00           H  
ATOM    205 HH12 ARG A  26      -9.255  -5.736  -2.163  1.00  0.00           H  
ATOM    206 HH21 ARG A  26      -7.937  -7.784   0.306  1.00  0.00           H  
ATOM    207 HH22 ARG A  26      -7.600  -6.532  -0.842  1.00  0.00           H  
ATOM    208  N   ASN A  27      -8.488  -5.071   3.967  1.00  0.00           N  
ATOM    209  CA  ASN A  27      -7.355  -4.648   4.842  1.00  0.00           C  
ATOM    210  C   ASN A  27      -6.975  -3.184   4.570  1.00  0.00           C  
ATOM    211  O   ASN A  27      -6.017  -2.680   5.122  1.00  0.00           O  
ATOM    212  CB  ASN A  27      -6.193  -5.574   4.472  1.00  0.00           C  
ATOM    213  CG  ASN A  27      -6.665  -6.629   3.468  1.00  0.00           C  
ATOM    214  OD1 ASN A  27      -6.617  -6.412   2.273  1.00  0.00           O  
ATOM    215  ND2 ASN A  27      -7.119  -7.771   3.906  1.00  0.00           N  
ATOM    216  H   ASN A  27      -8.443  -4.914   3.001  1.00  0.00           H  
ATOM    217  HA  ASN A  27      -7.612  -4.782   5.880  1.00  0.00           H  
ATOM    218  HB2 ASN A  27      -5.397  -4.991   4.032  1.00  0.00           H  
ATOM    219  HB3 ASN A  27      -5.828  -6.065   5.361  1.00  0.00           H  
ATOM    220 HD21 ASN A  27      -7.155  -7.947   4.870  1.00  0.00           H  
ATOM    221 HD22 ASN A  27      -7.424  -8.453   3.272  1.00  0.00           H  
ATOM    222  N   HIS A  28      -7.715  -2.498   3.729  1.00  0.00           N  
ATOM    223  CA  HIS A  28      -7.393  -1.070   3.425  1.00  0.00           C  
ATOM    224  C   HIS A  28      -5.930  -0.925   2.998  1.00  0.00           C  
ATOM    225  O   HIS A  28      -5.140  -0.289   3.667  1.00  0.00           O  
ATOM    226  CB  HIS A  28      -7.645  -0.313   4.728  1.00  0.00           C  
ATOM    227  CG  HIS A  28      -8.187   1.053   4.414  1.00  0.00           C  
ATOM    228  ND1 HIS A  28      -7.868   2.167   5.173  1.00  0.00           N  
ATOM    229  CD2 HIS A  28      -9.019   1.501   3.421  1.00  0.00           C  
ATOM    230  CE1 HIS A  28      -8.499   3.222   4.628  1.00  0.00           C  
ATOM    231  NE2 HIS A  28      -9.215   2.872   3.557  1.00  0.00           N  
ATOM    232  H   HIS A  28      -8.483  -2.921   3.295  1.00  0.00           H  
ATOM    233  HA  HIS A  28      -8.046  -0.696   2.654  1.00  0.00           H  
ATOM    234  HB2 HIS A  28      -8.359  -0.856   5.330  1.00  0.00           H  
ATOM    235  HB3 HIS A  28      -6.717  -0.213   5.268  1.00  0.00           H  
ATOM    236  HD1 HIS A  28      -7.288   2.183   5.964  1.00  0.00           H  
ATOM    237  HD2 HIS A  28      -9.454   0.884   2.649  1.00  0.00           H  
ATOM    238  HE1 HIS A  28      -8.433   4.231   5.010  1.00  0.00           H  
ATOM    239  N   ARG A  29      -5.560  -1.509   1.893  1.00  0.00           N  
ATOM    240  CA  ARG A  29      -4.146  -1.402   1.439  1.00  0.00           C  
ATOM    241  C   ARG A  29      -4.078  -1.273  -0.086  1.00  0.00           C  
ATOM    242  O   ARG A  29      -5.047  -0.923  -0.730  1.00  0.00           O  
ATOM    243  CB  ARG A  29      -3.490  -2.700   1.907  1.00  0.00           C  
ATOM    244  CG  ARG A  29      -2.562  -2.401   3.085  1.00  0.00           C  
ATOM    245  CD  ARG A  29      -1.118  -2.301   2.587  1.00  0.00           C  
ATOM    246  NE  ARG A  29      -0.962  -0.890   2.135  1.00  0.00           N  
ATOM    247  CZ  ARG A  29       0.146  -0.507   1.559  1.00  0.00           C  
ATOM    248  NH1 ARG A  29       0.613  -1.168   0.535  1.00  0.00           N  
ATOM    249  NH2 ARG A  29       0.786   0.539   2.007  1.00  0.00           N  
ATOM    250  H   ARG A  29      -6.208  -2.021   1.366  1.00  0.00           H  
ATOM    251  HA  ARG A  29      -3.666  -0.558   1.907  1.00  0.00           H  
ATOM    252  HB2 ARG A  29      -4.254  -3.398   2.218  1.00  0.00           H  
ATOM    253  HB3 ARG A  29      -2.917  -3.129   1.100  1.00  0.00           H  
ATOM    254  HG2 ARG A  29      -2.853  -1.466   3.542  1.00  0.00           H  
ATOM    255  HG3 ARG A  29      -2.636  -3.196   3.812  1.00  0.00           H  
ATOM    256  HD2 ARG A  29      -0.430  -2.519   3.392  1.00  0.00           H  
ATOM    257  HD3 ARG A  29      -0.958  -2.974   1.760  1.00  0.00           H  
ATOM    258  HE  ARG A  29      -1.690  -0.248   2.269  1.00  0.00           H  
ATOM    259 HH11 ARG A  29       0.122  -1.967   0.189  1.00  0.00           H  
ATOM    260 HH12 ARG A  29       1.462  -0.874   0.096  1.00  0.00           H  
ATOM    261 HH21 ARG A  29       0.427   1.047   2.790  1.00  0.00           H  
ATOM    262 HH22 ARG A  29       1.635   0.831   1.568  1.00  0.00           H  
ATOM    263  N   ALA A  30      -2.934  -1.548  -0.660  1.00  0.00           N  
ATOM    264  CA  ALA A  30      -2.778  -1.441  -2.143  1.00  0.00           C  
ATOM    265  C   ALA A  30      -3.130  -0.028  -2.626  1.00  0.00           C  
ATOM    266  O   ALA A  30      -3.992   0.141  -3.465  1.00  0.00           O  
ATOM    267  CB  ALA A  30      -3.751  -2.468  -2.722  1.00  0.00           C  
ATOM    268  H   ALA A  30      -2.169  -1.820  -0.113  1.00  0.00           H  
ATOM    269  HA  ALA A  30      -1.769  -1.692  -2.430  1.00  0.00           H  
ATOM    270  HB1 ALA A  30      -4.722  -2.013  -2.852  1.00  0.00           H  
ATOM    271  HB2 ALA A  30      -3.835  -3.307  -2.046  1.00  0.00           H  
ATOM    272  HB3 ALA A  30      -3.385  -2.812  -3.678  1.00  0.00           H  
ATOM    273  N   PRO A  31      -2.444   0.943  -2.080  1.00  0.00           N  
ATOM    274  CA  PRO A  31      -2.689   2.353  -2.466  1.00  0.00           C  
ATOM    275  C   PRO A  31      -2.070   2.650  -3.837  1.00  0.00           C  
ATOM    276  O   PRO A  31      -2.681   3.276  -4.679  1.00  0.00           O  
ATOM    277  CB  PRO A  31      -1.991   3.151  -1.370  1.00  0.00           C  
ATOM    278  CG  PRO A  31      -0.932   2.241  -0.831  1.00  0.00           C  
ATOM    279  CD  PRO A  31      -1.393   0.823  -1.063  1.00  0.00           C  
ATOM    280  HA  PRO A  31      -3.744   2.571  -2.468  1.00  0.00           H  
ATOM    281  HB2 PRO A  31      -1.546   4.045  -1.785  1.00  0.00           H  
ATOM    282  HB3 PRO A  31      -2.690   3.406  -0.589  1.00  0.00           H  
ATOM    283  HG2 PRO A  31       0.000   2.416  -1.350  1.00  0.00           H  
ATOM    284  HG3 PRO A  31      -0.803   2.411   0.226  1.00  0.00           H  
ATOM    285  HD2 PRO A  31      -0.576   0.217  -1.429  1.00  0.00           H  
ATOM    286  HD3 PRO A  31      -1.800   0.406  -0.155  1.00  0.00           H  
ATOM    287  N   ARG A  32      -0.862   2.208  -4.067  1.00  0.00           N  
ATOM    288  CA  ARG A  32      -0.210   2.470  -5.381  1.00  0.00           C  
ATOM    289  C   ARG A  32       0.956   1.501  -5.596  1.00  0.00           C  
ATOM    290  O   ARG A  32       1.876   1.443  -4.804  1.00  0.00           O  
ATOM    291  CB  ARG A  32       0.300   3.908  -5.290  1.00  0.00           C  
ATOM    292  CG  ARG A  32      -0.295   4.734  -6.432  1.00  0.00           C  
ATOM    293  CD  ARG A  32       0.693   4.778  -7.599  1.00  0.00           C  
ATOM    294  NE  ARG A  32      -0.062   4.240  -8.764  1.00  0.00           N  
ATOM    295  CZ  ARG A  32      -0.018   2.965  -9.038  1.00  0.00           C  
ATOM    296  NH1 ARG A  32       1.122   2.396  -9.319  1.00  0.00           N  
ATOM    297  NH2 ARG A  32      -1.116   2.258  -9.030  1.00  0.00           N  
ATOM    298  H   ARG A  32      -0.383   1.706  -3.376  1.00  0.00           H  
ATOM    299  HA  ARG A  32      -0.926   2.383  -6.182  1.00  0.00           H  
ATOM    300  HB2 ARG A  32       0.004   4.336  -4.343  1.00  0.00           H  
ATOM    301  HB3 ARG A  32       1.377   3.915  -5.367  1.00  0.00           H  
ATOM    302  HG2 ARG A  32      -1.220   4.281  -6.759  1.00  0.00           H  
ATOM    303  HG3 ARG A  32      -0.488   5.739  -6.088  1.00  0.00           H  
ATOM    304  HD2 ARG A  32       1.005   5.796  -7.788  1.00  0.00           H  
ATOM    305  HD3 ARG A  32       1.548   4.153  -7.393  1.00  0.00           H  
ATOM    306  HE  ARG A  32      -0.593   4.843  -9.325  1.00  0.00           H  
ATOM    307 HH11 ARG A  32       1.963   2.937  -9.325  1.00  0.00           H  
ATOM    308 HH12 ARG A  32       1.156   1.418  -9.528  1.00  0.00           H  
ATOM    309 HH21 ARG A  32      -1.989   2.695  -8.814  1.00  0.00           H  
ATOM    310 HH22 ARG A  32      -1.083   1.281  -9.239  1.00  0.00           H  
ATOM    311  N   LYS A  33       0.914   0.745  -6.666  1.00  0.00           N  
ATOM    312  CA  LYS A  33       2.008  -0.233  -6.963  1.00  0.00           C  
ATOM    313  C   LYS A  33       2.008  -1.376  -5.942  1.00  0.00           C  
ATOM    314  O   LYS A  33       1.482  -1.257  -4.853  1.00  0.00           O  
ATOM    315  CB  LYS A  33       3.310   0.569  -6.882  1.00  0.00           C  
ATOM    316  CG  LYS A  33       4.254   0.127  -8.002  1.00  0.00           C  
ATOM    317  CD  LYS A  33       5.491  -0.538  -7.396  1.00  0.00           C  
ATOM    318  CE  LYS A  33       6.734   0.289  -7.733  1.00  0.00           C  
ATOM    319  NZ  LYS A  33       7.841  -0.357  -6.974  1.00  0.00           N  
ATOM    320  H   LYS A  33       0.156   0.820  -7.280  1.00  0.00           H  
ATOM    321  HA  LYS A  33       1.888  -0.628  -7.959  1.00  0.00           H  
ATOM    322  HB2 LYS A  33       3.092   1.622  -6.990  1.00  0.00           H  
ATOM    323  HB3 LYS A  33       3.782   0.395  -5.927  1.00  0.00           H  
ATOM    324  HG2 LYS A  33       3.744  -0.577  -8.645  1.00  0.00           H  
ATOM    325  HG3 LYS A  33       4.556   0.988  -8.579  1.00  0.00           H  
ATOM    326  HD2 LYS A  33       5.377  -0.599  -6.324  1.00  0.00           H  
ATOM    327  HD3 LYS A  33       5.601  -1.532  -7.804  1.00  0.00           H  
ATOM    328  HE2 LYS A  33       6.931   0.252  -8.796  1.00  0.00           H  
ATOM    329  HE3 LYS A  33       6.608   1.309  -7.407  1.00  0.00           H  
ATOM    330  HZ1 LYS A  33       8.364   0.366  -6.441  1.00  0.00           H  
ATOM    331  HZ2 LYS A  33       8.484  -0.831  -7.640  1.00  0.00           H  
ATOM    332  HZ3 LYS A  33       7.448  -1.055  -6.313  1.00  0.00           H  
ATOM    333  N   LYS A  34       2.592  -2.490  -6.292  1.00  0.00           N  
ATOM    334  CA  LYS A  34       2.626  -3.647  -5.351  1.00  0.00           C  
ATOM    335  C   LYS A  34       3.946  -3.670  -4.574  1.00  0.00           C  
ATOM    336  O   LYS A  34       4.003  -4.120  -3.446  1.00  0.00           O  
ATOM    337  CB  LYS A  34       2.510  -4.885  -6.241  1.00  0.00           C  
ATOM    338  CG  LYS A  34       1.274  -5.692  -5.837  1.00  0.00           C  
ATOM    339  CD  LYS A  34       1.473  -6.268  -4.434  1.00  0.00           C  
ATOM    340  CE  LYS A  34       1.738  -7.772  -4.531  1.00  0.00           C  
ATOM    341  NZ  LYS A  34       3.208  -7.894  -4.734  1.00  0.00           N  
ATOM    342  H   LYS A  34       3.007  -2.567  -7.177  1.00  0.00           H  
ATOM    343  HA  LYS A  34       1.790  -3.604  -4.671  1.00  0.00           H  
ATOM    344  HB2 LYS A  34       2.419  -4.578  -7.273  1.00  0.00           H  
ATOM    345  HB3 LYS A  34       3.391  -5.497  -6.123  1.00  0.00           H  
ATOM    346  HG2 LYS A  34       0.407  -5.047  -5.843  1.00  0.00           H  
ATOM    347  HG3 LYS A  34       1.127  -6.500  -6.538  1.00  0.00           H  
ATOM    348  HD2 LYS A  34       2.315  -5.783  -3.962  1.00  0.00           H  
ATOM    349  HD3 LYS A  34       0.584  -6.098  -3.846  1.00  0.00           H  
ATOM    350  HE2 LYS A  34       1.440  -8.264  -3.615  1.00  0.00           H  
ATOM    351  HE3 LYS A  34       1.212  -8.193  -5.374  1.00  0.00           H  
ATOM    352  HZ1 LYS A  34       3.438  -7.709  -5.731  1.00  0.00           H  
ATOM    353  HZ2 LYS A  34       3.514  -8.857  -4.481  1.00  0.00           H  
ATOM    354  HZ3 LYS A  34       3.701  -7.205  -4.133  1.00  0.00           H  
ATOM    355  N   GLY A  35       5.009  -3.193  -5.166  1.00  0.00           N  
ATOM    356  CA  GLY A  35       6.320  -3.194  -4.457  1.00  0.00           C  
ATOM    357  C   GLY A  35       6.366  -2.051  -3.445  1.00  0.00           C  
ATOM    358  O   GLY A  35       5.419  -1.804  -2.725  1.00  0.00           O  
ATOM    359  H   GLY A  35       4.946  -2.838  -6.076  1.00  0.00           H  
ATOM    360  HA2 GLY A  35       6.450  -4.132  -3.941  1.00  0.00           H  
ATOM    361  HA3 GLY A  35       7.117  -3.069  -5.172  1.00  0.00           H  
ATOM    362  N   CYS A  36       7.467  -1.362  -3.374  1.00  0.00           N  
ATOM    363  CA  CYS A  36       7.581  -0.243  -2.393  1.00  0.00           C  
ATOM    364  C   CYS A  36       7.338   1.115  -3.054  1.00  0.00           C  
ATOM    365  O   CYS A  36       7.700   2.141  -2.517  1.00  0.00           O  
ATOM    366  CB  CYS A  36       9.010  -0.330  -1.865  1.00  0.00           C  
ATOM    367  SG  CYS A  36       9.312  -1.997  -1.238  1.00  0.00           S  
ATOM    368  H   CYS A  36       8.221  -1.588  -3.956  1.00  0.00           H  
ATOM    369  HA  CYS A  36       6.886  -0.388  -1.590  1.00  0.00           H  
ATOM    370  HB2 CYS A  36       9.703  -0.115  -2.664  1.00  0.00           H  
ATOM    371  HB3 CYS A  36       9.145   0.385  -1.068  1.00  0.00           H  
ATOM    372  N   TRP A  37       6.721   1.130  -4.201  1.00  0.00           N  
ATOM    373  CA  TRP A  37       6.441   2.426  -4.895  1.00  0.00           C  
ATOM    374  C   TRP A  37       7.727   3.253  -5.086  1.00  0.00           C  
ATOM    375  O   TRP A  37       7.673   4.447  -5.305  1.00  0.00           O  
ATOM    376  CB  TRP A  37       5.463   3.155  -3.971  1.00  0.00           C  
ATOM    377  CG  TRP A  37       4.856   4.312  -4.694  1.00  0.00           C  
ATOM    378  CD1 TRP A  37       4.021   4.215  -5.753  1.00  0.00           C  
ATOM    379  CD2 TRP A  37       5.021   5.735  -4.431  1.00  0.00           C  
ATOM    380  NE1 TRP A  37       3.664   5.489  -6.158  1.00  0.00           N  
ATOM    381  CE2 TRP A  37       4.255   6.459  -5.373  1.00  0.00           C  
ATOM    382  CE3 TRP A  37       5.755   6.460  -3.475  1.00  0.00           C  
ATOM    383  CZ2 TRP A  37       4.217   7.854  -5.368  1.00  0.00           C  
ATOM    384  CZ3 TRP A  37       5.719   7.863  -3.466  1.00  0.00           C  
ATOM    385  CH2 TRP A  37       4.952   8.559  -4.411  1.00  0.00           C  
ATOM    386  H   TRP A  37       6.429   0.289  -4.605  1.00  0.00           H  
ATOM    387  HA  TRP A  37       5.971   2.243  -5.848  1.00  0.00           H  
ATOM    388  HB2 TRP A  37       4.683   2.475  -3.664  1.00  0.00           H  
ATOM    389  HB3 TRP A  37       5.991   3.514  -3.101  1.00  0.00           H  
ATOM    390  HD1 TRP A  37       3.689   3.295  -6.208  1.00  0.00           H  
ATOM    391  HE1 TRP A  37       3.068   5.697  -6.906  1.00  0.00           H  
ATOM    392  HE3 TRP A  37       6.349   5.933  -2.743  1.00  0.00           H  
ATOM    393  HZ2 TRP A  37       3.624   8.384  -6.099  1.00  0.00           H  
ATOM    394  HZ3 TRP A  37       6.286   8.410  -2.728  1.00  0.00           H  
ATOM    395  HH2 TRP A  37       4.929   9.638  -4.400  1.00  0.00           H  
ATOM    396  N   LYS A  38       8.880   2.635  -5.017  1.00  0.00           N  
ATOM    397  CA  LYS A  38      10.151   3.401  -5.203  1.00  0.00           C  
ATOM    398  C   LYS A  38      11.353   2.448  -5.264  1.00  0.00           C  
ATOM    399  O   LYS A  38      12.273   2.650  -6.031  1.00  0.00           O  
ATOM    400  CB  LYS A  38      10.253   4.334  -3.988  1.00  0.00           C  
ATOM    401  CG  LYS A  38      10.539   3.525  -2.720  1.00  0.00           C  
ATOM    402  CD  LYS A  38      10.489   4.449  -1.502  1.00  0.00           C  
ATOM    403  CE  LYS A  38       9.258   4.115  -0.655  1.00  0.00           C  
ATOM    404  NZ  LYS A  38       8.122   4.796  -1.336  1.00  0.00           N  
ATOM    405  H   LYS A  38       8.910   1.672  -4.850  1.00  0.00           H  
ATOM    406  HA  LYS A  38      10.099   3.987  -6.107  1.00  0.00           H  
ATOM    407  HB2 LYS A  38      11.054   5.041  -4.148  1.00  0.00           H  
ATOM    408  HB3 LYS A  38       9.324   4.870  -3.867  1.00  0.00           H  
ATOM    409  HG2 LYS A  38       9.797   2.748  -2.614  1.00  0.00           H  
ATOM    410  HG3 LYS A  38      11.519   3.080  -2.789  1.00  0.00           H  
ATOM    411  HD2 LYS A  38      11.382   4.312  -0.910  1.00  0.00           H  
ATOM    412  HD3 LYS A  38      10.429   5.476  -1.831  1.00  0.00           H  
ATOM    413  HE2 LYS A  38       9.100   3.045  -0.632  1.00  0.00           H  
ATOM    414  HE3 LYS A  38       9.374   4.500   0.346  1.00  0.00           H  
ATOM    415  HZ1 LYS A  38       7.335   4.911  -0.668  1.00  0.00           H  
ATOM    416  HZ2 LYS A  38       7.810   4.222  -2.146  1.00  0.00           H  
ATOM    417  HZ3 LYS A  38       8.428   5.731  -1.671  1.00  0.00           H  
ATOM    418  N   CYS A  39      11.356   1.414  -4.466  1.00  0.00           N  
ATOM    419  CA  CYS A  39      12.500   0.457  -4.486  1.00  0.00           C  
ATOM    420  C   CYS A  39      12.159  -0.752  -5.362  1.00  0.00           C  
ATOM    421  O   CYS A  39      13.017  -1.328  -6.002  1.00  0.00           O  
ATOM    422  CB  CYS A  39      12.686   0.038  -3.027  1.00  0.00           C  
ATOM    423  SG  CYS A  39      13.495  -1.581  -2.951  1.00  0.00           S  
ATOM    424  H   CYS A  39      10.607   1.264  -3.853  1.00  0.00           H  
ATOM    425  HA  CYS A  39      13.392   0.944  -4.846  1.00  0.00           H  
ATOM    426  HB2 CYS A  39      13.297   0.768  -2.519  1.00  0.00           H  
ATOM    427  HB3 CYS A  39      11.722  -0.019  -2.545  1.00  0.00           H  
ATOM    428  N   GLY A  40      10.912  -1.140  -5.399  1.00  0.00           N  
ATOM    429  CA  GLY A  40      10.520  -2.309  -6.236  1.00  0.00           C  
ATOM    430  C   GLY A  40      10.661  -3.599  -5.425  1.00  0.00           C  
ATOM    431  O   GLY A  40      10.854  -4.665  -5.974  1.00  0.00           O  
ATOM    432  H   GLY A  40      10.233  -0.663  -4.878  1.00  0.00           H  
ATOM    433  HA2 GLY A  40       9.494  -2.194  -6.553  1.00  0.00           H  
ATOM    434  HA3 GLY A  40      11.160  -2.361  -7.103  1.00  0.00           H  
ATOM    435  N   LYS A  41      10.563  -3.516  -4.125  1.00  0.00           N  
ATOM    436  CA  LYS A  41      10.688  -4.746  -3.294  1.00  0.00           C  
ATOM    437  C   LYS A  41       9.308  -5.209  -2.836  1.00  0.00           C  
ATOM    438  O   LYS A  41       8.386  -4.428  -2.719  1.00  0.00           O  
ATOM    439  CB  LYS A  41      11.536  -4.339  -2.092  1.00  0.00           C  
ATOM    440  CG  LYS A  41      12.781  -5.225  -2.019  1.00  0.00           C  
ATOM    441  CD  LYS A  41      12.489  -6.444  -1.141  1.00  0.00           C  
ATOM    442  CE  LYS A  41      12.460  -7.704  -2.010  1.00  0.00           C  
ATOM    443  NZ  LYS A  41      13.839  -8.261  -1.925  1.00  0.00           N  
ATOM    444  H   LYS A  41      10.403  -2.650  -3.697  1.00  0.00           H  
ATOM    445  HA  LYS A  41      11.184  -5.528  -3.847  1.00  0.00           H  
ATOM    446  HB2 LYS A  41      11.833  -3.308  -2.197  1.00  0.00           H  
ATOM    447  HB3 LYS A  41      10.959  -4.457  -1.187  1.00  0.00           H  
ATOM    448  HG2 LYS A  41      13.049  -5.551  -3.013  1.00  0.00           H  
ATOM    449  HG3 LYS A  41      13.598  -4.664  -1.591  1.00  0.00           H  
ATOM    450  HD2 LYS A  41      13.260  -6.541  -0.391  1.00  0.00           H  
ATOM    451  HD3 LYS A  41      11.531  -6.320  -0.659  1.00  0.00           H  
ATOM    452  HE2 LYS A  41      11.741  -8.411  -1.620  1.00  0.00           H  
ATOM    453  HE3 LYS A  41      12.225  -7.452  -3.032  1.00  0.00           H  
ATOM    454  HZ1 LYS A  41      13.970  -8.723  -1.003  1.00  0.00           H  
ATOM    455  HZ2 LYS A  41      14.530  -7.490  -2.030  1.00  0.00           H  
ATOM    456  HZ3 LYS A  41      13.978  -8.959  -2.683  1.00  0.00           H  
ATOM    457  N   GLU A  42       9.161  -6.472  -2.573  1.00  0.00           N  
ATOM    458  CA  GLU A  42       7.840  -6.989  -2.119  1.00  0.00           C  
ATOM    459  C   GLU A  42       7.860  -7.238  -0.608  1.00  0.00           C  
ATOM    460  O   GLU A  42       6.839  -7.184   0.049  1.00  0.00           O  
ATOM    461  CB  GLU A  42       7.646  -8.304  -2.874  1.00  0.00           C  
ATOM    462  CG  GLU A  42       8.046  -8.117  -4.338  1.00  0.00           C  
ATOM    463  CD  GLU A  42       6.879  -8.517  -5.241  1.00  0.00           C  
ATOM    464  OE1 GLU A  42       6.707  -9.704  -5.464  1.00  0.00           O  
ATOM    465  OE2 GLU A  42       6.175  -7.628  -5.694  1.00  0.00           O  
ATOM    466  H   GLU A  42       9.921  -7.082  -2.672  1.00  0.00           H  
ATOM    467  HA  GLU A  42       7.055  -6.294  -2.381  1.00  0.00           H  
ATOM    468  HB2 GLU A  42       8.262  -9.070  -2.427  1.00  0.00           H  
ATOM    469  HB3 GLU A  42       6.609  -8.600  -2.822  1.00  0.00           H  
ATOM    470  HG2 GLU A  42       8.298  -7.081  -4.513  1.00  0.00           H  
ATOM    471  HG3 GLU A  42       8.900  -8.738  -4.559  1.00  0.00           H  
ATOM    472  N   GLY A  43       9.016  -7.512  -0.055  1.00  0.00           N  
ATOM    473  CA  GLY A  43       9.112  -7.765   1.414  1.00  0.00           C  
ATOM    474  C   GLY A  43       8.442  -6.621   2.178  1.00  0.00           C  
ATOM    475  O   GLY A  43       7.711  -6.840   3.123  1.00  0.00           O  
ATOM    476  H   GLY A  43       9.823  -7.553  -0.609  1.00  0.00           H  
ATOM    477  HA2 GLY A  43       8.618  -8.697   1.651  1.00  0.00           H  
ATOM    478  HA3 GLY A  43      10.151  -7.825   1.702  1.00  0.00           H  
ATOM    479  N   HIS A  44       8.667  -5.405   1.762  1.00  0.00           N  
ATOM    480  CA  HIS A  44       8.023  -4.251   2.452  1.00  0.00           C  
ATOM    481  C   HIS A  44       7.246  -3.420   1.428  1.00  0.00           C  
ATOM    482  O   HIS A  44       7.261  -3.710   0.249  1.00  0.00           O  
ATOM    483  CB  HIS A  44       9.160  -3.435   3.084  1.00  0.00           C  
ATOM    484  CG  HIS A  44      10.377  -3.436   2.197  1.00  0.00           C  
ATOM    485  ND1 HIS A  44      11.294  -4.475   2.196  1.00  0.00           N  
ATOM    486  CD2 HIS A  44      10.850  -2.520   1.293  1.00  0.00           C  
ATOM    487  CE1 HIS A  44      12.263  -4.161   1.316  1.00  0.00           C  
ATOM    488  NE2 HIS A  44      12.041  -2.978   0.737  1.00  0.00           N  
ATOM    489  H   HIS A  44       9.245  -5.253   0.986  1.00  0.00           H  
ATOM    490  HA  HIS A  44       7.355  -4.606   3.222  1.00  0.00           H  
ATOM    491  HB2 HIS A  44       8.828  -2.418   3.229  1.00  0.00           H  
ATOM    492  HB3 HIS A  44       9.416  -3.864   4.042  1.00  0.00           H  
ATOM    493  HD1 HIS A  44      11.246  -5.291   2.738  1.00  0.00           H  
ATOM    494  HD2 HIS A  44      10.372  -1.583   1.051  1.00  0.00           H  
ATOM    495  HE1 HIS A  44      13.116  -4.789   1.104  1.00  0.00           H  
ATOM    496  N   GLN A  45       6.556  -2.402   1.863  1.00  0.00           N  
ATOM    497  CA  GLN A  45       5.773  -1.579   0.897  1.00  0.00           C  
ATOM    498  C   GLN A  45       6.416  -0.215   0.701  1.00  0.00           C  
ATOM    499  O   GLN A  45       7.613  -0.048   0.817  1.00  0.00           O  
ATOM    500  CB  GLN A  45       4.392  -1.409   1.527  1.00  0.00           C  
ATOM    501  CG  GLN A  45       4.027  -2.673   2.281  1.00  0.00           C  
ATOM    502  CD  GLN A  45       2.585  -2.581   2.779  1.00  0.00           C  
ATOM    503  OE1 GLN A  45       1.738  -3.348   2.366  1.00  0.00           O  
ATOM    504  NE2 GLN A  45       2.269  -1.671   3.657  1.00  0.00           N  
ATOM    505  H   GLN A  45       6.545  -2.186   2.818  1.00  0.00           H  
ATOM    506  HA  GLN A  45       5.682  -2.090  -0.048  1.00  0.00           H  
ATOM    507  HB2 GLN A  45       4.408  -0.573   2.211  1.00  0.00           H  
ATOM    508  HB3 GLN A  45       3.661  -1.229   0.754  1.00  0.00           H  
ATOM    509  HG2 GLN A  45       4.130  -3.517   1.621  1.00  0.00           H  
ATOM    510  HG3 GLN A  45       4.689  -2.783   3.119  1.00  0.00           H  
ATOM    511 HE21 GLN A  45       2.953  -1.054   3.991  1.00  0.00           H  
ATOM    512 HE22 GLN A  45       1.347  -1.603   3.983  1.00  0.00           H  
ATOM    513  N   MET A  46       5.612   0.759   0.405  1.00  0.00           N  
ATOM    514  CA  MET A  46       6.144   2.134   0.193  1.00  0.00           C  
ATOM    515  C   MET A  46       6.321   2.845   1.537  1.00  0.00           C  
ATOM    516  O   MET A  46       7.168   3.703   1.688  1.00  0.00           O  
ATOM    517  CB  MET A  46       5.097   2.840  -0.674  1.00  0.00           C  
ATOM    518  CG  MET A  46       3.909   3.273   0.189  1.00  0.00           C  
ATOM    519  SD  MET A  46       2.474   3.578  -0.871  1.00  0.00           S  
ATOM    520  CE  MET A  46       3.046   5.139  -1.587  1.00  0.00           C  
ATOM    521  H   MET A  46       4.650   0.581   0.328  1.00  0.00           H  
ATOM    522  HA  MET A  46       7.085   2.092  -0.332  1.00  0.00           H  
ATOM    523  HB2 MET A  46       5.541   3.709  -1.137  1.00  0.00           H  
ATOM    524  HB3 MET A  46       4.752   2.162  -1.440  1.00  0.00           H  
ATOM    525  HG2 MET A  46       3.673   2.491   0.896  1.00  0.00           H  
ATOM    526  HG3 MET A  46       4.162   4.177   0.723  1.00  0.00           H  
ATOM    527  HE1 MET A  46       2.884   5.124  -2.656  1.00  0.00           H  
ATOM    528  HE2 MET A  46       4.098   5.265  -1.386  1.00  0.00           H  
ATOM    529  HE3 MET A  46       2.496   5.959  -1.145  1.00  0.00           H  
ATOM    530  N   LYS A  47       5.540   2.486   2.520  1.00  0.00           N  
ATOM    531  CA  LYS A  47       5.681   3.135   3.854  1.00  0.00           C  
ATOM    532  C   LYS A  47       6.762   2.419   4.675  1.00  0.00           C  
ATOM    533  O   LYS A  47       7.259   2.944   5.651  1.00  0.00           O  
ATOM    534  CB  LYS A  47       4.308   3.001   4.519  1.00  0.00           C  
ATOM    535  CG  LYS A  47       3.915   1.526   4.614  1.00  0.00           C  
ATOM    536  CD  LYS A  47       3.136   1.287   5.908  1.00  0.00           C  
ATOM    537  CE  LYS A  47       1.663   1.033   5.577  1.00  0.00           C  
ATOM    538  NZ  LYS A  47       1.298  -0.183   6.356  1.00  0.00           N  
ATOM    539  H   LYS A  47       4.870   1.785   2.384  1.00  0.00           H  
ATOM    540  HA  LYS A  47       5.932   4.178   3.736  1.00  0.00           H  
ATOM    541  HB2 LYS A  47       4.348   3.427   5.510  1.00  0.00           H  
ATOM    542  HB3 LYS A  47       3.573   3.529   3.930  1.00  0.00           H  
ATOM    543  HG2 LYS A  47       3.298   1.263   3.767  1.00  0.00           H  
ATOM    544  HG3 LYS A  47       4.804   0.915   4.614  1.00  0.00           H  
ATOM    545  HD2 LYS A  47       3.544   0.428   6.420  1.00  0.00           H  
ATOM    546  HD3 LYS A  47       3.215   2.157   6.542  1.00  0.00           H  
ATOM    547  HE2 LYS A  47       1.060   1.876   5.886  1.00  0.00           H  
ATOM    548  HE3 LYS A  47       1.541   0.847   4.522  1.00  0.00           H  
ATOM    549  HZ1 LYS A  47       1.192   0.066   7.360  1.00  0.00           H  
ATOM    550  HZ2 LYS A  47       2.046  -0.899   6.252  1.00  0.00           H  
ATOM    551  HZ3 LYS A  47       0.399  -0.565   6.000  1.00  0.00           H  
ATOM    552  N   ASP A  48       7.138   1.228   4.281  1.00  0.00           N  
ATOM    553  CA  ASP A  48       8.193   0.489   5.033  1.00  0.00           C  
ATOM    554  C   ASP A  48       9.462   0.387   4.181  1.00  0.00           C  
ATOM    555  O   ASP A  48      10.165  -0.603   4.218  1.00  0.00           O  
ATOM    556  CB  ASP A  48       7.608  -0.902   5.281  1.00  0.00           C  
ATOM    557  CG  ASP A  48       6.180  -0.772   5.810  1.00  0.00           C  
ATOM    558  OD1 ASP A  48       5.997  -0.090   6.804  1.00  0.00           O  
ATOM    559  OD2 ASP A  48       5.293  -1.359   5.211  1.00  0.00           O  
ATOM    560  H   ASP A  48       6.733   0.821   3.488  1.00  0.00           H  
ATOM    561  HA  ASP A  48       8.404   0.976   5.971  1.00  0.00           H  
ATOM    562  HB2 ASP A  48       7.600  -1.457   4.355  1.00  0.00           H  
ATOM    563  HB3 ASP A  48       8.213  -1.422   6.007  1.00  0.00           H  
ATOM    564  N   CYS A  49       9.757   1.399   3.410  1.00  0.00           N  
ATOM    565  CA  CYS A  49      10.975   1.352   2.553  1.00  0.00           C  
ATOM    566  C   CYS A  49      11.734   2.677   2.630  1.00  0.00           C  
ATOM    567  O   CYS A  49      11.183   3.734   2.394  1.00  0.00           O  
ATOM    568  CB  CYS A  49      10.450   1.123   1.137  1.00  0.00           C  
ATOM    569  SG  CYS A  49      11.832   1.160  -0.030  1.00  0.00           S  
ATOM    570  H   CYS A  49       9.176   2.187   3.390  1.00  0.00           H  
ATOM    571  HA  CYS A  49      11.613   0.533   2.846  1.00  0.00           H  
ATOM    572  HB2 CYS A  49       9.960   0.163   1.086  1.00  0.00           H  
ATOM    573  HB3 CYS A  49       9.745   1.901   0.885  1.00  0.00           H  
ATOM    574  N   THR A  50      12.997   2.628   2.951  1.00  0.00           N  
ATOM    575  CA  THR A  50      13.793   3.885   3.035  1.00  0.00           C  
ATOM    576  C   THR A  50      14.418   4.197   1.673  1.00  0.00           C  
ATOM    577  O   THR A  50      14.123   5.207   1.065  1.00  0.00           O  
ATOM    578  CB  THR A  50      14.878   3.599   4.076  1.00  0.00           C  
ATOM    579  OG1 THR A  50      14.280   3.470   5.358  1.00  0.00           O  
ATOM    580  CG2 THR A  50      15.887   4.748   4.094  1.00  0.00           C  
ATOM    581  H   THR A  50      13.423   1.765   3.132  1.00  0.00           H  
ATOM    582  HA  THR A  50      13.173   4.704   3.364  1.00  0.00           H  
ATOM    583  HB  THR A  50      15.388   2.683   3.822  1.00  0.00           H  
ATOM    584  HG1 THR A  50      13.381   3.801   5.301  1.00  0.00           H  
ATOM    585 HG21 THR A  50      15.409   5.652   3.747  1.00  0.00           H  
ATOM    586 HG22 THR A  50      16.718   4.509   3.447  1.00  0.00           H  
ATOM    587 HG23 THR A  50      16.247   4.895   5.102  1.00  0.00           H  
ATOM    588  N   GLU A  51      15.274   3.333   1.193  1.00  0.00           N  
ATOM    589  CA  GLU A  51      15.924   3.566  -0.131  1.00  0.00           C  
ATOM    590  C   GLU A  51      16.592   4.943  -0.164  1.00  0.00           C  
ATOM    591  O   GLU A  51      16.336   5.747  -1.039  1.00  0.00           O  
ATOM    592  CB  GLU A  51      14.789   3.488  -1.153  1.00  0.00           C  
ATOM    593  CG  GLU A  51      15.229   2.620  -2.332  1.00  0.00           C  
ATOM    594  CD  GLU A  51      14.605   3.150  -3.624  1.00  0.00           C  
ATOM    595  OE1 GLU A  51      13.648   3.900  -3.534  1.00  0.00           O  
ATOM    596  OE2 GLU A  51      15.096   2.796  -4.683  1.00  0.00           O  
ATOM    597  H   GLU A  51      15.490   2.525   1.704  1.00  0.00           H  
ATOM    598  HA  GLU A  51      16.650   2.794  -0.332  1.00  0.00           H  
ATOM    599  HB2 GLU A  51      13.916   3.051  -0.688  1.00  0.00           H  
ATOM    600  HB3 GLU A  51      14.550   4.479  -1.505  1.00  0.00           H  
ATOM    601  HG2 GLU A  51      16.306   2.647  -2.414  1.00  0.00           H  
ATOM    602  HG3 GLU A  51      14.907   1.604  -2.169  1.00  0.00           H  
ATOM    603  N   ARG A  52      17.447   5.214   0.788  1.00  0.00           N  
ATOM    604  CA  ARG A  52      18.144   6.535   0.834  1.00  0.00           C  
ATOM    605  C   ARG A  52      17.129   7.681   0.786  1.00  0.00           C  
ATOM    606  O   ARG A  52      17.209   8.557  -0.052  1.00  0.00           O  
ATOM    607  CB  ARG A  52      19.045   6.559  -0.403  1.00  0.00           C  
ATOM    608  CG  ARG A  52      19.871   5.273  -0.462  1.00  0.00           C  
ATOM    609  CD  ARG A  52      20.892   5.373  -1.598  1.00  0.00           C  
ATOM    610  NE  ARG A  52      20.300   4.591  -2.718  1.00  0.00           N  
ATOM    611  CZ  ARG A  52      19.165   4.962  -3.245  1.00  0.00           C  
ATOM    612  NH1 ARG A  52      19.083   6.095  -3.888  1.00  0.00           N  
ATOM    613  NH2 ARG A  52      18.112   4.201  -3.127  1.00  0.00           N  
ATOM    614  H   ARG A  52      17.631   4.543   1.479  1.00  0.00           H  
ATOM    615  HA  ARG A  52      18.747   6.607   1.726  1.00  0.00           H  
ATOM    616  HB2 ARG A  52      18.435   6.638  -1.291  1.00  0.00           H  
ATOM    617  HB3 ARG A  52      19.709   7.408  -0.347  1.00  0.00           H  
ATOM    618  HG2 ARG A  52      20.388   5.133   0.477  1.00  0.00           H  
ATOM    619  HG3 ARG A  52      19.218   4.432  -0.642  1.00  0.00           H  
ATOM    620  HD2 ARG A  52      21.029   6.406  -1.887  1.00  0.00           H  
ATOM    621  HD3 ARG A  52      21.832   4.937  -1.298  1.00  0.00           H  
ATOM    622  HE  ARG A  52      20.762   3.798  -3.060  1.00  0.00           H  
ATOM    623 HH11 ARG A  52      19.890   6.678  -3.978  1.00  0.00           H  
ATOM    624 HH12 ARG A  52      18.214   6.379  -4.292  1.00  0.00           H  
ATOM    625 HH21 ARG A  52      18.176   3.334  -2.633  1.00  0.00           H  
ATOM    626 HH22 ARG A  52      17.242   4.485  -3.530  1.00  0.00           H  
ATOM    627  N   GLN A  53      16.176   7.682   1.678  1.00  0.00           N  
ATOM    628  CA  GLN A  53      15.159   8.773   1.680  1.00  0.00           C  
ATOM    629  C   GLN A  53      15.697   9.997   2.427  1.00  0.00           C  
ATOM    630  O   GLN A  53      15.023  11.014   2.418  1.00  0.00           O  
ATOM    631  CB  GLN A  53      13.948   8.189   2.409  1.00  0.00           C  
ATOM    632  CG  GLN A  53      14.216   8.164   3.915  1.00  0.00           C  
ATOM    633  CD  GLN A  53      13.299   7.135   4.579  1.00  0.00           C  
ATOM    634  OE1 GLN A  53      12.242   6.826   4.066  1.00  0.00           O  
ATOM    635  NE2 GLN A  53      13.662   6.588   5.706  1.00  0.00           N  
ATOM    636  OXT GLN A  53      16.773   9.897   2.993  1.00  0.00           O  
ATOM    637  H   GLN A  53      16.130   6.966   2.345  1.00  0.00           H  
ATOM    638  HA  GLN A  53      14.888   9.037   0.670  1.00  0.00           H  
ATOM    639  HB2 GLN A  53      13.080   8.800   2.208  1.00  0.00           H  
ATOM    640  HB3 GLN A  53      13.769   7.184   2.061  1.00  0.00           H  
ATOM    641  HG2 GLN A  53      15.247   7.897   4.094  1.00  0.00           H  
ATOM    642  HG3 GLN A  53      14.019   9.140   4.333  1.00  0.00           H  
ATOM    643 HE21 GLN A  53      14.514   6.836   6.120  1.00  0.00           H  
ATOM    644 HE22 GLN A  53      13.081   5.927   6.139  1.00  0.00           H  
TER     645      GLN A  53                                                      
HETATM  646 ZN    ZN A   1     -10.485   4.230   2.120  1.00  0.00          ZN  
HETATM  647 ZN    ZN A   2      11.813  -1.281  -0.947  1.00  0.00          ZN  
CONECT   43  646                                                                
CONECT   87  646                                                                
CONECT  149  646                                                                
CONECT  231  646                                                                
CONECT  367  647                                                                
CONECT  423  647                                                                
CONECT  488  647                                                                
CONECT  569  647                                                                
CONECT  646   43   87  149  231                                                 
CONECT  647  367  423  488  569                                                 
MASTER      180    0    2    0    0    0    4    6  330    1   10    4          
END