HEADER    METALLOTHIONEIN                         24-JUN-99   1QJK              
TITLE     METALLOTHIONEIN MTA FROM SEA URCHIN (ALPHA DOMAIN)                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: ALPHA DOMAIN;                                              
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 OTHER_DETAILS: CADMIUM 4-METAL CLUSTER                               
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STRONGYLOCENTROTUS PURPURATUS;                  
SOURCE   3 ORGANISM_COMMON: PURPLE SEA URCHIN;                                  
SOURCE   4 ORGANISM_TAXID: 7668;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
KEYWDS    METALLOTHIONEIN, METAL-BINDING, DETOXIFICATION, RADICAL SCAVENGER     
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    R.RIEK,B.PRECHEUR,Y.WANG,E.A.MACKAY,G.WIDER,P.GUNTERT,A.LIU,          
AUTHOR   2 J.H.R.KAEGI,K.WUTHRICH                                               
REVDAT   3   16-JAN-19 1QJK    1       JRNL                                     
REVDAT   2   24-FEB-09 1QJK    1       VERSN                                    
REVDAT   1   31-AUG-99 1QJK    0                                                
JRNL        AUTH   R.RIEK,B.PRECHEUR,Y.WANG,E.A.MACKAY,G.WIDER,P.GUNTERT,A.LIU, 
JRNL        AUTH 2 J.H.KAGI,K.WUTHRICH                                          
JRNL        TITL   NMR STRUCTURE OF THE SEA URCHIN (STRONGYLOCENTROTUS          
JRNL        TITL 2 PURPURATUS) METALLOTHIONEIN MTA.                             
JRNL        REF    J. MOL. BIOL.                 V. 291   417 1999              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   10438629                                                     
JRNL        DOI    10.1006/JMBI.1999.2967                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   B.A.MESSERLE,A.SCHAFFER,M.VASAK,J.H.R.KAEGI,K.WUTHRICH       
REMARK   1  TITL   THREE-DIMENSIONAL STRUCTURE OF HUMAN                         
REMARK   1  TITL 2 [113CD7]-METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR 
REMARK   1  TITL 3 MAGNETIC RESONANCE SPECTROSCOPY                              
REMARK   1  REF    J.MOL.BIOL.                   V. 214   765 1990              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   1  PMID   2388267                                                      
REMARK   1  DOI    10.1016/0022-2836(90)90291-S                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DYANA (VERSION 1.1) 1.1) 1.1)                        
REMARK   3   AUTHORS     : GUNTERT                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1QJK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 24-JUN-99.                  
REMARK 100 THE DEPOSITION ID IS D_1290002870.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 288                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 50 MM NACL                         
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 90% WATER/10% D2O                  
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; COSY; TOCSY                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 750 MHZ; 500 MHZ                   
REMARK 210  SPECTROMETER MODEL             : UNITYPLUS; AMX                     
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN; BRUKER                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA                              
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LEAST RESTRAINT VIOLATION          
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    GLY A    26     H    CYS A    29              1.59            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A   3       74.72   -173.31                                   
REMARK 500    PHE A  18      158.65    -49.89                                   
REMARK 500    CYS A  29       34.04   -143.45                                   
REMARK 500    LYS A  30       52.03   -152.17                                   
REMARK 500    ASP A  31      -54.83   -150.91                                   
REMARK 500    CYS A  35      155.86     60.73                                   
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                              CD A 104  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   6   SG                                                     
REMARK 620 2 CYS A  28   SG  103.3                                              
REMARK 620 3 CYS A  29   SG  100.2 127.4                                        
REMARK 620 4 CYS A  28   O   165.1  77.9  68.6                                  
REMARK 620 5 CYS A  34   SG  117.3 108.1 101.5  75.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A 105  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  23   SG                                                     
REMARK 620 2 CYS A  22   SG  117.9                                              
REMARK 620 3 CYS A  28   SG  108.9 115.4                                        
REMARK 620 4 CYS A  17   SG  101.2 104.3 107.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A 106  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  23   SG                                                     
REMARK 620 2 CYS A   6   SG  104.1                                              
REMARK 620 3 CYS A  15   SG  109.7 117.9                                        
REMARK 620 4 CYS A   9   SG  104.5 120.6  99.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A 107  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   8   SG                                                     
REMARK 620 2 CYS A  34   SG   98.0                                              
REMARK 620 3 CYS A  35   SG  123.0 119.5                                        
REMARK 620 4 CYS A  15   SG   99.2  97.7 114.7                                  
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 CD A 104                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 105                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 106                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 107                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4MT2   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1QJL   RELATED DB: PDB                                   
REMARK 900 THE NMR CHEMICAL SHIFTS ARE DEPOSITED WITH THE BIOMAGRESBANK (BMRB). 
DBREF  1QJK A    2    37  UNP    P04734   MTA_STRPU        2     37             
SEQADV 1QJK THR A   10  UNP  P04734    LYS    10 CONFLICT                       
SEQADV 1QJK VAL A   24  UNP  P04734    LYS    24 CONFLICT                       
SEQRES   1 A   36  PRO ASP VAL LYS CYS VAL CYS CYS THR GLU GLY LYS GLU          
SEQRES   2 A   36  CYS ALA CYS PHE GLY GLN ASP CYS CYS VAL THR GLY GLU          
SEQRES   3 A   36  CYS CYS LYS ASP GLY THR CYS CYS GLY ILE                      
HET     CD  A 104       1                                                       
HET     CD  A 105       1                                                       
HET     CD  A 106       1                                                       
HET     CD  A 107       1                                                       
HETNAM      CD CADMIUM ION                                                      
FORMUL   2   CD    4(CD 2+)                                                     
HELIX    1   1 CYS A    6  GLY A   12  1                                   7    
HELIX    2   2 ASP A   21  GLY A   26  1                                   6    
LINK        CD    CD A 104                 SG  CYS A   6     1555   1555  2.65  
LINK        CD    CD A 104                 SG  CYS A  28     1555   1555  2.49  
LINK        CD    CD A 104                 SG  CYS A  29     1555   1555  2.60  
LINK        CD    CD A 104                 O   CYS A  28     1555   1555  3.11  
LINK        CD    CD A 104                 SG  CYS A  34     1555   1555  2.61  
LINK        CD    CD A 105                 SG  CYS A  23     1555   1555  2.64  
LINK        CD    CD A 105                 SG  CYS A  22     1555   1555  2.53  
LINK        CD    CD A 105                 SG  CYS A  28     1555   1555  2.60  
LINK        CD    CD A 105                 SG  CYS A  17     1555   1555  2.60  
LINK        CD    CD A 106                 SG  CYS A  23     1555   1555  2.60  
LINK        CD    CD A 106                 SG  CYS A   6     1555   1555  2.58  
LINK        CD    CD A 106                 SG  CYS A  15     1555   1555  2.68  
LINK        CD    CD A 106                 SG  CYS A   9     1555   1555  2.60  
LINK        CD    CD A 107                 SG  CYS A   8     1555   1555  2.60  
LINK        CD    CD A 107                 SG  CYS A  34     1555   1555  2.73  
LINK        CD    CD A 107                 SG  CYS A  35     1555   1555  2.50  
LINK        CD    CD A 107                 SG  CYS A  15     1555   1555  2.64  
SITE     1 AC1  4 CYS A   6  CYS A  28  CYS A  29  CYS A  34                    
SITE     1 AC2  4 CYS A  17  CYS A  22  CYS A  23  CYS A  28                    
SITE     1 AC3  4 CYS A   6  CYS A   9  CYS A  15  CYS A  23                    
SITE     1 AC4  5 CYS A   8  GLU A  14  CYS A  15  CYS A  34                    
SITE     2 AC4  5 CYS A  35                                                     
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   PRO A   2      -8.134  -2.482  -8.363  1.00  0.00           N  
ATOM      2  CA  PRO A   2      -8.796  -1.209  -8.595  1.00  0.00           C  
ATOM      3  C   PRO A   2      -9.773  -0.885  -7.463  1.00  0.00           C  
ATOM      4  O   PRO A   2     -10.903  -0.468  -7.715  1.00  0.00           O  
ATOM      5  CB  PRO A   2      -9.479  -1.360  -9.944  1.00  0.00           C  
ATOM      6  CG  PRO A   2      -9.564  -2.855 -10.203  1.00  0.00           C  
ATOM      7  CD  PRO A   2      -8.645  -3.553  -9.213  1.00  0.00           C  
ATOM      8  HA  PRO A   2      -8.127  -0.466  -8.599  1.00  0.00           H  
ATOM      9  HB2 PRO A   2     -10.470  -0.908  -9.934  1.00  0.00           H  
ATOM     10  HB3 PRO A   2      -8.909  -0.860 -10.728  1.00  0.00           H  
ATOM     11  HG2 PRO A   2     -10.589  -3.206 -10.085  1.00  0.00           H  
ATOM     12  HG3 PRO A   2      -9.266  -3.084 -11.227  1.00  0.00           H  
ATOM     13  HD2 PRO A   2      -9.184  -4.299  -8.630  1.00  0.00           H  
ATOM     14  HD3 PRO A   2      -7.834  -4.073  -9.725  1.00  0.00           H  
ATOM     15  N   ASP A   3      -9.304  -1.091  -6.242  1.00  0.00           N  
ATOM     16  CA  ASP A   3     -10.124  -0.826  -5.071  1.00  0.00           C  
ATOM     17  C   ASP A   3      -9.273  -0.993  -3.810  1.00  0.00           C  
ATOM     18  O   ASP A   3      -9.404  -1.986  -3.095  1.00  0.00           O  
ATOM     19  CB  ASP A   3     -11.294  -1.807  -4.984  1.00  0.00           C  
ATOM     20  CG  ASP A   3     -12.475  -1.487  -5.904  1.00  0.00           C  
ATOM     21  OD1 ASP A   3     -12.844  -0.294  -5.959  1.00  0.00           O  
ATOM     22  OD2 ASP A   3     -12.981  -2.443  -6.530  1.00  0.00           O  
ATOM     23  H   ASP A   3      -8.385  -1.430  -6.046  1.00  0.00           H  
ATOM     24  HA  ASP A   3     -10.483   0.194  -5.198  1.00  0.00           H  
ATOM     25  HB2 ASP A   3     -10.929  -2.806  -5.221  1.00  0.00           H  
ATOM     26  HB3 ASP A   3     -11.652  -1.833  -3.955  1.00  0.00           H  
ATOM     27  N   VAL A   4      -8.419  -0.007  -3.577  1.00  0.00           N  
ATOM     28  CA  VAL A   4      -7.546  -0.033  -2.414  1.00  0.00           C  
ATOM     29  C   VAL A   4      -7.236   1.402  -1.983  1.00  0.00           C  
ATOM     30  O   VAL A   4      -7.640   2.355  -2.649  1.00  0.00           O  
ATOM     31  CB  VAL A   4      -6.289  -0.849  -2.721  1.00  0.00           C  
ATOM     32  CG1 VAL A   4      -5.808  -1.602  -1.480  1.00  0.00           C  
ATOM     33  CG2 VAL A   4      -6.531  -1.810  -3.887  1.00  0.00           C  
ATOM     34  H   VAL A   4      -8.318   0.796  -4.163  1.00  0.00           H  
ATOM     35  HA  VAL A   4      -8.085  -0.533  -1.610  1.00  0.00           H  
ATOM     36  HB  VAL A   4      -5.502  -0.154  -3.018  1.00  0.00           H  
ATOM     37 HG11 VAL A   4      -6.667  -1.991  -0.935  1.00  0.00           H  
ATOM     38 HG12 VAL A   4      -5.166  -2.430  -1.784  1.00  0.00           H  
ATOM     39 HG13 VAL A   4      -5.246  -0.924  -0.838  1.00  0.00           H  
ATOM     40 HG21 VAL A   4      -7.342  -2.492  -3.634  1.00  0.00           H  
ATOM     41 HG22 VAL A   4      -6.798  -1.241  -4.778  1.00  0.00           H  
ATOM     42 HG23 VAL A   4      -5.623  -2.382  -4.081  1.00  0.00           H  
ATOM     43  N   LYS A   5      -6.524   1.511  -0.871  1.00  0.00           N  
ATOM     44  CA  LYS A   5      -6.157   2.814  -0.343  1.00  0.00           C  
ATOM     45  C   LYS A   5      -4.644   3.007  -0.482  1.00  0.00           C  
ATOM     46  O   LYS A   5      -4.160   4.137  -0.508  1.00  0.00           O  
ATOM     47  CB  LYS A   5      -6.667   2.975   1.090  1.00  0.00           C  
ATOM     48  CG  LYS A   5      -7.909   2.113   1.329  1.00  0.00           C  
ATOM     49  CD  LYS A   5      -9.121   2.681   0.588  1.00  0.00           C  
ATOM     50  CE  LYS A   5     -10.287   2.926   1.549  1.00  0.00           C  
ATOM     51  NZ  LYS A   5     -10.951   4.212   1.243  1.00  0.00           N  
ATOM     52  H   LYS A   5      -6.200   0.731  -0.336  1.00  0.00           H  
ATOM     53  HA  LYS A   5      -6.657   3.567  -0.951  1.00  0.00           H  
ATOM     54  HB2 LYS A   5      -5.884   2.693   1.793  1.00  0.00           H  
ATOM     55  HB3 LYS A   5      -6.905   4.022   1.279  1.00  0.00           H  
ATOM     56  HG2 LYS A   5      -7.719   1.094   0.994  1.00  0.00           H  
ATOM     57  HG3 LYS A   5      -8.122   2.063   2.397  1.00  0.00           H  
ATOM     58  HD2 LYS A   5      -8.848   3.616   0.097  1.00  0.00           H  
ATOM     59  HD3 LYS A   5      -9.430   1.989  -0.195  1.00  0.00           H  
ATOM     60  HE2 LYS A   5     -11.006   2.111   1.473  1.00  0.00           H  
ATOM     61  HE3 LYS A   5      -9.923   2.933   2.576  1.00  0.00           H  
ATOM     62  HZ1 LYS A   5     -10.392   4.729   0.594  1.00  0.00           H  
ATOM     63  HZ2 LYS A   5     -11.850   4.035   0.841  1.00  0.00           H  
ATOM     64  HZ3 LYS A   5     -11.059   4.741   2.084  1.00  0.00           H  
ATOM     65  N   CYS A   6      -3.942   1.886  -0.567  1.00  0.00           N  
ATOM     66  CA  CYS A   6      -2.496   1.919  -0.702  1.00  0.00           C  
ATOM     67  C   CYS A   6      -2.157   2.260  -2.155  1.00  0.00           C  
ATOM     68  O   CYS A   6      -1.887   1.369  -2.958  1.00  0.00           O  
ATOM     69  CB  CYS A   6      -1.857   0.600  -0.262  1.00  0.00           C  
ATOM     70  SG  CYS A   6      -0.079   0.593  -0.689  1.00  0.00           S  
ATOM     71  H   CYS A   6      -4.344   0.972  -0.544  1.00  0.00           H  
ATOM     72  HA  CYS A   6      -2.136   2.696  -0.028  1.00  0.00           H  
ATOM     73  HB2 CYS A   6      -1.983   0.468   0.813  1.00  0.00           H  
ATOM     74  HB3 CYS A   6      -2.360  -0.237  -0.746  1.00  0.00           H  
ATOM     75  N   VAL A   7      -2.182   3.552  -2.447  1.00  0.00           N  
ATOM     76  CA  VAL A   7      -1.881   4.021  -3.789  1.00  0.00           C  
ATOM     77  C   VAL A   7      -0.666   3.265  -4.328  1.00  0.00           C  
ATOM     78  O   VAL A   7      -0.514   3.110  -5.539  1.00  0.00           O  
ATOM     79  CB  VAL A   7      -1.686   5.539  -3.780  1.00  0.00           C  
ATOM     80  CG1 VAL A   7      -1.211   6.038  -5.147  1.00  0.00           C  
ATOM     81  CG2 VAL A   7      -2.968   6.255  -3.350  1.00  0.00           C  
ATOM     82  H   VAL A   7      -2.404   4.270  -1.787  1.00  0.00           H  
ATOM     83  HA  VAL A   7      -2.743   3.796  -4.418  1.00  0.00           H  
ATOM     84  HB  VAL A   7      -0.911   5.773  -3.050  1.00  0.00           H  
ATOM     85 HG11 VAL A   7      -1.692   5.457  -5.933  1.00  0.00           H  
ATOM     86 HG12 VAL A   7      -1.473   7.090  -5.260  1.00  0.00           H  
ATOM     87 HG13 VAL A   7      -0.129   5.923  -5.220  1.00  0.00           H  
ATOM     88 HG21 VAL A   7      -3.627   5.548  -2.845  1.00  0.00           H  
ATOM     89 HG22 VAL A   7      -2.718   7.069  -2.670  1.00  0.00           H  
ATOM     90 HG23 VAL A   7      -3.472   6.657  -4.229  1.00  0.00           H  
ATOM     91  N   CYS A   8       0.169   2.814  -3.404  1.00  0.00           N  
ATOM     92  CA  CYS A   8       1.366   2.077  -3.772  1.00  0.00           C  
ATOM     93  C   CYS A   8       0.968   0.969  -4.749  1.00  0.00           C  
ATOM     94  O   CYS A   8       1.518   0.878  -5.846  1.00  0.00           O  
ATOM     95  CB  CYS A   8       2.087   1.521  -2.542  1.00  0.00           C  
ATOM     96  SG  CYS A   8       3.899   1.618  -2.783  1.00  0.00           S  
ATOM     97  H   CYS A   8       0.038   2.944  -2.420  1.00  0.00           H  
ATOM     98  HA  CYS A   8       2.039   2.791  -4.247  1.00  0.00           H  
ATOM     99  HB2 CYS A   8       1.800   2.086  -1.655  1.00  0.00           H  
ATOM    100  HB3 CYS A   8       1.790   0.487  -2.372  1.00  0.00           H  
ATOM    101  N   CYS A   9       0.015   0.158  -4.316  1.00  0.00           N  
ATOM    102  CA  CYS A   9      -0.463  -0.940  -5.139  1.00  0.00           C  
ATOM    103  C   CYS A   9      -1.583  -0.413  -6.040  1.00  0.00           C  
ATOM    104  O   CYS A   9      -1.749  -0.878  -7.166  1.00  0.00           O  
ATOM    105  CB  CYS A   9      -0.925  -2.125  -4.290  1.00  0.00           C  
ATOM    106  SG  CYS A   9       0.512  -2.902  -3.464  1.00  0.00           S  
ATOM    107  H   CYS A   9      -0.427   0.239  -3.423  1.00  0.00           H  
ATOM    108  HA  CYS A   9       0.385  -1.278  -5.734  1.00  0.00           H  
ATOM    109  HB2 CYS A   9      -1.646  -1.790  -3.543  1.00  0.00           H  
ATOM    110  HB3 CYS A   9      -1.434  -2.858  -4.916  1.00  0.00           H  
ATOM    111  N   THR A  10      -2.322   0.550  -5.509  1.00  0.00           N  
ATOM    112  CA  THR A  10      -3.420   1.146  -6.250  1.00  0.00           C  
ATOM    113  C   THR A  10      -2.889   1.941  -7.444  1.00  0.00           C  
ATOM    114  O   THR A  10      -3.665   2.437  -8.258  1.00  0.00           O  
ATOM    115  CB  THR A  10      -4.245   1.989  -5.276  1.00  0.00           C  
ATOM    116  OG1 THR A  10      -5.496   1.311  -5.204  1.00  0.00           O  
ATOM    117  CG2 THR A  10      -4.599   3.364  -5.847  1.00  0.00           C  
ATOM    118  H   THR A  10      -2.180   0.923  -4.592  1.00  0.00           H  
ATOM    119  HA  THR A  10      -4.039   0.343  -6.651  1.00  0.00           H  
ATOM    120  HB  THR A  10      -3.738   2.085  -4.317  1.00  0.00           H  
ATOM    121  HG1 THR A  10      -5.855   1.355  -4.272  1.00  0.00           H  
ATOM    122 HG21 THR A  10      -3.696   3.844  -6.223  1.00  0.00           H  
ATOM    123 HG22 THR A  10      -5.314   3.246  -6.661  1.00  0.00           H  
ATOM    124 HG23 THR A  10      -5.038   3.981  -5.063  1.00  0.00           H  
ATOM    125  N   GLU A  11      -1.569   2.038  -7.509  1.00  0.00           N  
ATOM    126  CA  GLU A  11      -0.924   2.765  -8.590  1.00  0.00           C  
ATOM    127  C   GLU A  11      -0.139   1.802  -9.483  1.00  0.00           C  
ATOM    128  O   GLU A  11      -0.179   1.914 -10.708  1.00  0.00           O  
ATOM    129  CB  GLU A  11      -0.016   3.869  -8.043  1.00  0.00           C  
ATOM    130  CG  GLU A  11       0.526   4.742  -9.175  1.00  0.00           C  
ATOM    131  CD  GLU A  11       1.242   5.976  -8.622  1.00  0.00           C  
ATOM    132  OE1 GLU A  11       1.499   5.981  -7.398  1.00  0.00           O  
ATOM    133  OE2 GLU A  11       1.516   6.886  -9.433  1.00  0.00           O  
ATOM    134  H   GLU A  11      -0.944   1.631  -6.843  1.00  0.00           H  
ATOM    135  HA  GLU A  11      -1.736   3.218  -9.158  1.00  0.00           H  
ATOM    136  HB2 GLU A  11      -0.573   4.486  -7.338  1.00  0.00           H  
ATOM    137  HB3 GLU A  11       0.812   3.424  -7.493  1.00  0.00           H  
ATOM    138  HG2 GLU A  11       1.216   4.163  -9.789  1.00  0.00           H  
ATOM    139  HG3 GLU A  11      -0.292   5.053  -9.824  1.00  0.00           H  
ATOM    140  N   GLY A  12       0.556   0.878  -8.836  1.00  0.00           N  
ATOM    141  CA  GLY A  12       1.349  -0.103  -9.556  1.00  0.00           C  
ATOM    142  C   GLY A  12       2.842   0.086  -9.277  1.00  0.00           C  
ATOM    143  O   GLY A  12       3.684  -0.434 -10.007  1.00  0.00           O  
ATOM    144  H   GLY A  12       0.583   0.795  -7.841  1.00  0.00           H  
ATOM    145  HA2 GLY A  12       1.045  -1.108  -9.264  1.00  0.00           H  
ATOM    146  HA3 GLY A  12       1.162  -0.012 -10.626  1.00  0.00           H  
ATOM    147  N   LYS A  13       3.123   0.833  -8.219  1.00  0.00           N  
ATOM    148  CA  LYS A  13       4.499   1.096  -7.834  1.00  0.00           C  
ATOM    149  C   LYS A  13       5.082  -0.147  -7.160  1.00  0.00           C  
ATOM    150  O   LYS A  13       4.383  -1.141  -6.970  1.00  0.00           O  
ATOM    151  CB  LYS A  13       4.582   2.358  -6.973  1.00  0.00           C  
ATOM    152  CG  LYS A  13       3.575   3.410  -7.444  1.00  0.00           C  
ATOM    153  CD  LYS A  13       4.259   4.756  -7.684  1.00  0.00           C  
ATOM    154  CE  LYS A  13       3.936   5.294  -9.080  1.00  0.00           C  
ATOM    155  NZ  LYS A  13       5.114   5.174  -9.967  1.00  0.00           N  
ATOM    156  H   LYS A  13       2.432   1.252  -7.631  1.00  0.00           H  
ATOM    157  HA  LYS A  13       5.062   1.292  -8.747  1.00  0.00           H  
ATOM    158  HB2 LYS A  13       4.389   2.106  -5.931  1.00  0.00           H  
ATOM    159  HB3 LYS A  13       5.591   2.769  -7.020  1.00  0.00           H  
ATOM    160  HG2 LYS A  13       3.093   3.072  -8.361  1.00  0.00           H  
ATOM    161  HG3 LYS A  13       2.789   3.525  -6.696  1.00  0.00           H  
ATOM    162  HD2 LYS A  13       3.935   5.474  -6.931  1.00  0.00           H  
ATOM    163  HD3 LYS A  13       5.338   4.645  -7.575  1.00  0.00           H  
ATOM    164  HE2 LYS A  13       3.096   4.743  -9.503  1.00  0.00           H  
ATOM    165  HE3 LYS A  13       3.630   6.338  -9.012  1.00  0.00           H  
ATOM    166  HZ1 LYS A  13       5.765   4.526  -9.572  1.00  0.00           H  
ATOM    167  HZ2 LYS A  13       4.822   4.845 -10.865  1.00  0.00           H  
ATOM    168  HZ3 LYS A  13       5.550   6.068 -10.067  1.00  0.00           H  
ATOM    169  N   GLU A  14       6.359  -0.050  -6.817  1.00  0.00           N  
ATOM    170  CA  GLU A  14       7.045  -1.155  -6.167  1.00  0.00           C  
ATOM    171  C   GLU A  14       6.732  -1.168  -4.671  1.00  0.00           C  
ATOM    172  O   GLU A  14       7.115  -0.251  -3.945  1.00  0.00           O  
ATOM    173  CB  GLU A  14       8.553  -1.083  -6.413  1.00  0.00           C  
ATOM    174  CG  GLU A  14       9.231  -0.163  -5.395  1.00  0.00           C  
ATOM    175  CD  GLU A  14      10.622   0.257  -5.876  1.00  0.00           C  
ATOM    176  OE1 GLU A  14      11.346  -0.636  -6.367  1.00  0.00           O  
ATOM    177  OE2 GLU A  14      10.928   1.461  -5.742  1.00  0.00           O  
ATOM    178  H   GLU A  14       6.920   0.762  -6.975  1.00  0.00           H  
ATOM    179  HA  GLU A  14       6.649  -2.057  -6.636  1.00  0.00           H  
ATOM    180  HB2 GLU A  14       8.984  -2.082  -6.348  1.00  0.00           H  
ATOM    181  HB3 GLU A  14       8.745  -0.719  -7.423  1.00  0.00           H  
ATOM    182  HG2 GLU A  14       8.616   0.722  -5.234  1.00  0.00           H  
ATOM    183  HG3 GLU A  14       9.313  -0.673  -4.436  1.00  0.00           H  
ATOM    184  N   CYS A  15       6.040  -2.217  -4.252  1.00  0.00           N  
ATOM    185  CA  CYS A  15       5.673  -2.361  -2.854  1.00  0.00           C  
ATOM    186  C   CYS A  15       6.506  -3.494  -2.251  1.00  0.00           C  
ATOM    187  O   CYS A  15       6.896  -4.425  -2.956  1.00  0.00           O  
ATOM    188  CB  CYS A  15       4.171  -2.606  -2.686  1.00  0.00           C  
ATOM    189  SG  CYS A  15       3.610  -1.974  -1.063  1.00  0.00           S  
ATOM    190  H   CYS A  15       5.733  -2.958  -4.848  1.00  0.00           H  
ATOM    191  HA  CYS A  15       5.902  -1.412  -2.370  1.00  0.00           H  
ATOM    192  HB2 CYS A  15       3.622  -2.112  -3.488  1.00  0.00           H  
ATOM    193  HB3 CYS A  15       3.957  -3.672  -2.764  1.00  0.00           H  
ATOM    194  N   ALA A  16       6.754  -3.379  -0.955  1.00  0.00           N  
ATOM    195  CA  ALA A  16       7.535  -4.382  -0.250  1.00  0.00           C  
ATOM    196  C   ALA A  16       6.603  -5.231   0.616  1.00  0.00           C  
ATOM    197  O   ALA A  16       6.998  -6.285   1.111  1.00  0.00           O  
ATOM    198  CB  ALA A  16       8.629  -3.694   0.569  1.00  0.00           C  
ATOM    199  H   ALA A  16       6.434  -2.618  -0.390  1.00  0.00           H  
ATOM    200  HA  ALA A  16       8.006  -5.021  -0.997  1.00  0.00           H  
ATOM    201  HB1 ALA A  16       9.575  -3.747   0.031  1.00  0.00           H  
ATOM    202  HB2 ALA A  16       8.730  -4.195   1.532  1.00  0.00           H  
ATOM    203  HB3 ALA A  16       8.360  -2.650   0.730  1.00  0.00           H  
ATOM    204  N   CYS A  17       5.382  -4.739   0.773  1.00  0.00           N  
ATOM    205  CA  CYS A  17       4.390  -5.440   1.571  1.00  0.00           C  
ATOM    206  C   CYS A  17       3.191  -5.758   0.675  1.00  0.00           C  
ATOM    207  O   CYS A  17       2.073  -5.914   1.163  1.00  0.00           O  
ATOM    208  CB  CYS A  17       3.983  -4.631   2.804  1.00  0.00           C  
ATOM    209  SG  CYS A  17       3.480  -2.943   2.308  1.00  0.00           S  
ATOM    210  H   CYS A  17       5.068  -3.881   0.366  1.00  0.00           H  
ATOM    211  HA  CYS A  17       4.863  -6.355   1.924  1.00  0.00           H  
ATOM    212  HB2 CYS A  17       3.161  -5.127   3.320  1.00  0.00           H  
ATOM    213  HB3 CYS A  17       4.815  -4.580   3.506  1.00  0.00           H  
ATOM    214  N   PHE A  18       3.466  -5.845  -0.618  1.00  0.00           N  
ATOM    215  CA  PHE A  18       2.423  -6.142  -1.586  1.00  0.00           C  
ATOM    216  C   PHE A  18       1.609  -7.365  -1.157  1.00  0.00           C  
ATOM    217  O   PHE A  18       2.079  -8.180  -0.364  1.00  0.00           O  
ATOM    218  CB  PHE A  18       3.118  -6.448  -2.914  1.00  0.00           C  
ATOM    219  CG  PHE A  18       2.238  -7.188  -3.922  1.00  0.00           C  
ATOM    220  CD1 PHE A  18       1.352  -6.498  -4.688  1.00  0.00           C  
ATOM    221  CD2 PHE A  18       2.342  -8.538  -4.051  1.00  0.00           C  
ATOM    222  CE1 PHE A  18       0.536  -7.186  -5.624  1.00  0.00           C  
ATOM    223  CE2 PHE A  18       1.525  -9.227  -4.987  1.00  0.00           C  
ATOM    224  CZ  PHE A  18       0.639  -8.536  -5.754  1.00  0.00           C  
ATOM    225  H   PHE A  18       4.377  -5.717  -1.006  1.00  0.00           H  
ATOM    226  HA  PHE A  18       1.768  -5.272  -1.633  1.00  0.00           H  
ATOM    227  HB2 PHE A  18       3.454  -5.512  -3.359  1.00  0.00           H  
ATOM    228  HB3 PHE A  18       4.009  -7.044  -2.716  1.00  0.00           H  
ATOM    229  HD1 PHE A  18       1.270  -5.416  -4.584  1.00  0.00           H  
ATOM    230  HD2 PHE A  18       3.051  -9.092  -3.436  1.00  0.00           H  
ATOM    231  HE1 PHE A  18      -0.174  -6.632  -6.239  1.00  0.00           H  
ATOM    232  HE2 PHE A  18       1.607 -10.309  -5.090  1.00  0.00           H  
ATOM    233  HZ  PHE A  18       0.011  -9.063  -6.472  1.00  0.00           H  
ATOM    234  N   GLY A  19       0.404  -7.455  -1.700  1.00  0.00           N  
ATOM    235  CA  GLY A  19      -0.478  -8.565  -1.384  1.00  0.00           C  
ATOM    236  C   GLY A  19      -0.630  -8.731   0.129  1.00  0.00           C  
ATOM    237  O   GLY A  19      -0.384  -9.809   0.667  1.00  0.00           O  
ATOM    238  H   GLY A  19       0.030  -6.788  -2.344  1.00  0.00           H  
ATOM    239  HA2 GLY A  19      -1.457  -8.396  -1.835  1.00  0.00           H  
ATOM    240  HA3 GLY A  19      -0.083  -9.484  -1.817  1.00  0.00           H  
ATOM    241  N   GLN A  20      -1.036  -7.646   0.773  1.00  0.00           N  
ATOM    242  CA  GLN A  20      -1.223  -7.659   2.214  1.00  0.00           C  
ATOM    243  C   GLN A  20      -2.533  -6.960   2.585  1.00  0.00           C  
ATOM    244  O   GLN A  20      -3.277  -6.522   1.709  1.00  0.00           O  
ATOM    245  CB  GLN A  20      -0.035  -7.011   2.927  1.00  0.00           C  
ATOM    246  CG  GLN A  20       1.210  -7.893   2.831  1.00  0.00           C  
ATOM    247  CD  GLN A  20       2.340  -7.346   3.706  1.00  0.00           C  
ATOM    248  OE1 GLN A  20       2.121  -6.678   4.702  1.00  0.00           O  
ATOM    249  NE2 GLN A  20       3.559  -7.665   3.278  1.00  0.00           N  
ATOM    250  H   GLN A  20      -1.234  -6.773   0.329  1.00  0.00           H  
ATOM    251  HA  GLN A  20      -1.275  -8.712   2.491  1.00  0.00           H  
ATOM    252  HB2 GLN A  20       0.171  -6.035   2.486  1.00  0.00           H  
ATOM    253  HB3 GLN A  20      -0.284  -6.839   3.975  1.00  0.00           H  
ATOM    254  HG2 GLN A  20       0.965  -8.909   3.142  1.00  0.00           H  
ATOM    255  HG3 GLN A  20       1.542  -7.949   1.794  1.00  0.00           H  
ATOM    256 HE21 GLN A  20       3.670  -8.217   2.451  1.00  0.00           H  
ATOM    257 HE22 GLN A  20       4.363  -7.353   3.782  1.00  0.00           H  
ATOM    258  N   ASP A  21      -2.775  -6.876   3.886  1.00  0.00           N  
ATOM    259  CA  ASP A  21      -3.981  -6.238   4.383  1.00  0.00           C  
ATOM    260  C   ASP A  21      -3.677  -4.779   4.726  1.00  0.00           C  
ATOM    261  O   ASP A  21      -4.552  -3.920   4.636  1.00  0.00           O  
ATOM    262  CB  ASP A  21      -4.486  -6.927   5.652  1.00  0.00           C  
ATOM    263  CG  ASP A  21      -5.483  -6.112   6.478  1.00  0.00           C  
ATOM    264  OD1 ASP A  21      -6.145  -5.242   5.872  1.00  0.00           O  
ATOM    265  OD2 ASP A  21      -5.559  -6.375   7.697  1.00  0.00           O  
ATOM    266  H   ASP A  21      -2.164  -7.236   4.591  1.00  0.00           H  
ATOM    267  HA  ASP A  21      -4.709  -6.333   3.576  1.00  0.00           H  
ATOM    268  HB2 ASP A  21      -4.955  -7.871   5.373  1.00  0.00           H  
ATOM    269  HB3 ASP A  21      -3.629  -7.170   6.280  1.00  0.00           H  
ATOM    270  N   CYS A  22      -2.432  -4.543   5.115  1.00  0.00           N  
ATOM    271  CA  CYS A  22      -2.001  -3.203   5.472  1.00  0.00           C  
ATOM    272  C   CYS A  22      -2.134  -2.309   4.238  1.00  0.00           C  
ATOM    273  O   CYS A  22      -2.135  -1.085   4.350  1.00  0.00           O  
ATOM    274  CB  CYS A  22      -0.575  -3.196   6.030  1.00  0.00           C  
ATOM    275  SG  CYS A  22       0.553  -4.056   4.873  1.00  0.00           S  
ATOM    276  H   CYS A  22      -1.725  -5.247   5.186  1.00  0.00           H  
ATOM    277  HA  CYS A  22      -2.663  -2.863   6.269  1.00  0.00           H  
ATOM    278  HB2 CYS A  22      -0.241  -2.170   6.182  1.00  0.00           H  
ATOM    279  HB3 CYS A  22      -0.555  -3.687   7.003  1.00  0.00           H  
ATOM    280  N   CYS A  23      -2.243  -2.957   3.087  1.00  0.00           N  
ATOM    281  CA  CYS A  23      -2.376  -2.237   1.832  1.00  0.00           C  
ATOM    282  C   CYS A  23      -3.816  -1.730   1.720  1.00  0.00           C  
ATOM    283  O   CYS A  23      -4.048  -0.598   1.300  1.00  0.00           O  
ATOM    284  CB  CYS A  23      -1.982  -3.106   0.636  1.00  0.00           C  
ATOM    285  SG  CYS A  23      -0.162  -3.293   0.573  1.00  0.00           S  
ATOM    286  H   CYS A  23      -2.241  -3.954   3.004  1.00  0.00           H  
ATOM    287  HA  CYS A  23      -1.675  -1.403   1.873  1.00  0.00           H  
ATOM    288  HB2 CYS A  23      -2.455  -4.085   0.715  1.00  0.00           H  
ATOM    289  HB3 CYS A  23      -2.341  -2.652  -0.288  1.00  0.00           H  
ATOM    290  N   VAL A  24      -4.744  -2.595   2.102  1.00  0.00           N  
ATOM    291  CA  VAL A  24      -6.155  -2.249   2.050  1.00  0.00           C  
ATOM    292  C   VAL A  24      -6.434  -1.112   3.033  1.00  0.00           C  
ATOM    293  O   VAL A  24      -6.851  -0.026   2.632  1.00  0.00           O  
ATOM    294  CB  VAL A  24      -7.008  -3.492   2.315  1.00  0.00           C  
ATOM    295  CG1 VAL A  24      -8.435  -3.104   2.709  1.00  0.00           C  
ATOM    296  CG2 VAL A  24      -7.009  -4.425   1.102  1.00  0.00           C  
ATOM    297  H   VAL A  24      -4.547  -3.514   2.442  1.00  0.00           H  
ATOM    298  HA  VAL A  24      -6.370  -1.901   1.039  1.00  0.00           H  
ATOM    299  HB  VAL A  24      -6.564  -4.031   3.151  1.00  0.00           H  
ATOM    300 HG11 VAL A  24      -8.582  -2.037   2.533  1.00  0.00           H  
ATOM    301 HG12 VAL A  24      -9.144  -3.672   2.109  1.00  0.00           H  
ATOM    302 HG13 VAL A  24      -8.593  -3.323   3.765  1.00  0.00           H  
ATOM    303 HG21 VAL A  24      -6.765  -3.856   0.205  1.00  0.00           H  
ATOM    304 HG22 VAL A  24      -6.267  -5.210   1.247  1.00  0.00           H  
ATOM    305 HG23 VAL A  24      -7.996  -4.873   0.990  1.00  0.00           H  
ATOM    306  N   THR A  25      -6.193  -1.398   4.304  1.00  0.00           N  
ATOM    307  CA  THR A  25      -6.413  -0.413   5.349  1.00  0.00           C  
ATOM    308  C   THR A  25      -5.589   0.846   5.076  1.00  0.00           C  
ATOM    309  O   THR A  25      -5.930   1.931   5.546  1.00  0.00           O  
ATOM    310  CB  THR A  25      -6.093  -1.069   6.694  1.00  0.00           C  
ATOM    311  OG1 THR A  25      -6.018   0.024   7.604  1.00  0.00           O  
ATOM    312  CG2 THR A  25      -4.690  -1.679   6.728  1.00  0.00           C  
ATOM    313  H   THR A  25      -5.854  -2.284   4.624  1.00  0.00           H  
ATOM    314  HA  THR A  25      -7.462  -0.119   5.329  1.00  0.00           H  
ATOM    315  HB  THR A  25      -6.847  -1.812   6.953  1.00  0.00           H  
ATOM    316  HG1 THR A  25      -5.196   0.564   7.424  1.00  0.00           H  
ATOM    317 HG21 THR A  25      -4.106  -1.293   5.892  1.00  0.00           H  
ATOM    318 HG22 THR A  25      -4.202  -1.416   7.666  1.00  0.00           H  
ATOM    319 HG23 THR A  25      -4.764  -2.764   6.648  1.00  0.00           H  
ATOM    320  N   GLY A  26      -4.520   0.662   4.316  1.00  0.00           N  
ATOM    321  CA  GLY A  26      -3.644   1.770   3.975  1.00  0.00           C  
ATOM    322  C   GLY A  26      -2.807   2.200   5.183  1.00  0.00           C  
ATOM    323  O   GLY A  26      -2.196   3.268   5.169  1.00  0.00           O  
ATOM    324  H   GLY A  26      -4.249  -0.223   3.938  1.00  0.00           H  
ATOM    325  HA2 GLY A  26      -2.985   1.479   3.157  1.00  0.00           H  
ATOM    326  HA3 GLY A  26      -4.239   2.613   3.621  1.00  0.00           H  
ATOM    327  N   GLU A  27      -2.808   1.347   6.196  1.00  0.00           N  
ATOM    328  CA  GLU A  27      -2.057   1.626   7.408  1.00  0.00           C  
ATOM    329  C   GLU A  27      -0.573   1.814   7.082  1.00  0.00           C  
ATOM    330  O   GLU A  27       0.188   2.316   7.907  1.00  0.00           O  
ATOM    331  CB  GLU A  27      -2.255   0.516   8.443  1.00  0.00           C  
ATOM    332  CG  GLU A  27      -1.468  -0.739   8.059  1.00  0.00           C  
ATOM    333  CD  GLU A  27      -0.458  -1.107   9.148  1.00  0.00           C  
ATOM    334  OE1 GLU A  27       0.303  -0.200   9.547  1.00  0.00           O  
ATOM    335  OE2 GLU A  27      -0.471  -2.289   9.556  1.00  0.00           O  
ATOM    336  H   GLU A  27      -3.308   0.482   6.198  1.00  0.00           H  
ATOM    337  HA  GLU A  27      -2.471   2.556   7.798  1.00  0.00           H  
ATOM    338  HB2 GLU A  27      -1.932   0.866   9.423  1.00  0.00           H  
ATOM    339  HB3 GLU A  27      -3.315   0.274   8.524  1.00  0.00           H  
ATOM    340  HG2 GLU A  27      -2.156  -1.569   7.899  1.00  0.00           H  
ATOM    341  HG3 GLU A  27      -0.946  -0.571   7.117  1.00  0.00           H  
ATOM    342  N   CYS A  28      -0.209   1.400   5.878  1.00  0.00           N  
ATOM    343  CA  CYS A  28       1.170   1.516   5.433  1.00  0.00           C  
ATOM    344  C   CYS A  28       1.287   2.761   4.552  1.00  0.00           C  
ATOM    345  O   CYS A  28       2.317   2.982   3.917  1.00  0.00           O  
ATOM    346  CB  CYS A  28       1.638   0.255   4.703  1.00  0.00           C  
ATOM    347  SG  CYS A  28       0.587  -0.044   3.234  1.00  0.00           S  
ATOM    348  H   CYS A  28      -0.834   0.992   5.213  1.00  0.00           H  
ATOM    349  HA  CYS A  28       1.781   1.617   6.330  1.00  0.00           H  
ATOM    350  HB2 CYS A  28       2.678   0.364   4.400  1.00  0.00           H  
ATOM    351  HB3 CYS A  28       1.590  -0.603   5.374  1.00  0.00           H  
ATOM    352  N   CYS A  29       0.218   3.544   4.543  1.00  0.00           N  
ATOM    353  CA  CYS A  29       0.188   4.761   3.751  1.00  0.00           C  
ATOM    354  C   CYS A  29      -0.587   5.824   4.534  1.00  0.00           C  
ATOM    355  O   CYS A  29      -1.279   6.653   3.943  1.00  0.00           O  
ATOM    356  CB  CYS A  29      -0.416   4.520   2.366  1.00  0.00           C  
ATOM    357  SG  CYS A  29       0.897   4.020   1.191  1.00  0.00           S  
ATOM    358  H   CYS A  29      -0.616   3.357   5.063  1.00  0.00           H  
ATOM    359  HA  CYS A  29       1.224   5.065   3.606  1.00  0.00           H  
ATOM    360  HB2 CYS A  29      -1.179   3.744   2.422  1.00  0.00           H  
ATOM    361  HB3 CYS A  29      -0.907   5.426   2.011  1.00  0.00           H  
ATOM    362  N   LYS A  30      -0.444   5.766   5.849  1.00  0.00           N  
ATOM    363  CA  LYS A  30      -1.122   6.712   6.718  1.00  0.00           C  
ATOM    364  C   LYS A  30      -0.310   6.892   8.002  1.00  0.00           C  
ATOM    365  O   LYS A  30      -0.844   6.760   9.102  1.00  0.00           O  
ATOM    366  CB  LYS A  30      -2.568   6.277   6.961  1.00  0.00           C  
ATOM    367  CG  LYS A  30      -2.621   4.905   7.637  1.00  0.00           C  
ATOM    368  CD  LYS A  30      -4.044   4.342   7.623  1.00  0.00           C  
ATOM    369  CE  LYS A  30      -4.518   4.013   9.040  1.00  0.00           C  
ATOM    370  NZ  LYS A  30      -5.502   2.908   9.015  1.00  0.00           N  
ATOM    371  H   LYS A  30       0.120   5.088   6.321  1.00  0.00           H  
ATOM    372  HA  LYS A  30      -1.158   7.668   6.195  1.00  0.00           H  
ATOM    373  HB2 LYS A  30      -3.075   7.014   7.585  1.00  0.00           H  
ATOM    374  HB3 LYS A  30      -3.105   6.240   6.013  1.00  0.00           H  
ATOM    375  HG2 LYS A  30      -1.949   4.217   7.125  1.00  0.00           H  
ATOM    376  HG3 LYS A  30      -2.270   4.989   8.665  1.00  0.00           H  
ATOM    377  HD2 LYS A  30      -4.721   5.064   7.167  1.00  0.00           H  
ATOM    378  HD3 LYS A  30      -4.076   3.442   7.008  1.00  0.00           H  
ATOM    379  HE2 LYS A  30      -3.665   3.735   9.660  1.00  0.00           H  
ATOM    380  HE3 LYS A  30      -4.967   4.897   9.494  1.00  0.00           H  
ATOM    381  HZ1 LYS A  30      -5.808   2.757   8.075  1.00  0.00           H  
ATOM    382  HZ2 LYS A  30      -5.075   2.074   9.365  1.00  0.00           H  
ATOM    383  HZ3 LYS A  30      -6.287   3.147   9.588  1.00  0.00           H  
ATOM    384  N   ASP A  31       0.968   7.190   7.819  1.00  0.00           N  
ATOM    385  CA  ASP A  31       1.860   7.389   8.949  1.00  0.00           C  
ATOM    386  C   ASP A  31       2.966   8.369   8.554  1.00  0.00           C  
ATOM    387  O   ASP A  31       3.170   9.382   9.221  1.00  0.00           O  
ATOM    388  CB  ASP A  31       2.520   6.074   9.367  1.00  0.00           C  
ATOM    389  CG  ASP A  31       1.883   5.386  10.576  1.00  0.00           C  
ATOM    390  OD1 ASP A  31       1.358   6.124  11.438  1.00  0.00           O  
ATOM    391  OD2 ASP A  31       1.936   4.138  10.612  1.00  0.00           O  
ATOM    392  H   ASP A  31       1.395   7.296   6.920  1.00  0.00           H  
ATOM    393  HA  ASP A  31       1.227   7.774   9.748  1.00  0.00           H  
ATOM    394  HB2 ASP A  31       2.494   5.386   8.522  1.00  0.00           H  
ATOM    395  HB3 ASP A  31       3.570   6.267   9.589  1.00  0.00           H  
ATOM    396  N   GLY A  32       3.651   8.033   7.471  1.00  0.00           N  
ATOM    397  CA  GLY A  32       4.731   8.871   6.979  1.00  0.00           C  
ATOM    398  C   GLY A  32       5.039   8.564   5.512  1.00  0.00           C  
ATOM    399  O   GLY A  32       5.183   9.477   4.700  1.00  0.00           O  
ATOM    400  H   GLY A  32       3.479   7.207   6.934  1.00  0.00           H  
ATOM    401  HA2 GLY A  32       4.460   9.921   7.085  1.00  0.00           H  
ATOM    402  HA3 GLY A  32       5.625   8.710   7.583  1.00  0.00           H  
ATOM    403  N   THR A  33       5.131   7.276   5.217  1.00  0.00           N  
ATOM    404  CA  THR A  33       5.419   6.837   3.862  1.00  0.00           C  
ATOM    405  C   THR A  33       5.183   5.332   3.727  1.00  0.00           C  
ATOM    406  O   THR A  33       4.659   4.697   4.642  1.00  0.00           O  
ATOM    407  CB  THR A  33       6.849   7.261   3.521  1.00  0.00           C  
ATOM    408  OG1 THR A  33       7.040   6.799   2.187  1.00  0.00           O  
ATOM    409  CG2 THR A  33       7.895   6.495   4.334  1.00  0.00           C  
ATOM    410  H   THR A  33       5.012   6.539   5.883  1.00  0.00           H  
ATOM    411  HA  THR A  33       4.722   7.333   3.186  1.00  0.00           H  
ATOM    412  HB  THR A  33       6.975   8.337   3.641  1.00  0.00           H  
ATOM    413  HG1 THR A  33       6.546   7.390   1.548  1.00  0.00           H  
ATOM    414 HG21 THR A  33       7.568   6.420   5.371  1.00  0.00           H  
ATOM    415 HG22 THR A  33       8.016   5.494   3.918  1.00  0.00           H  
ATOM    416 HG23 THR A  33       8.848   7.023   4.290  1.00  0.00           H  
ATOM    417  N   CYS A  34       5.580   4.803   2.578  1.00  0.00           N  
ATOM    418  CA  CYS A  34       5.418   3.384   2.313  1.00  0.00           C  
ATOM    419  C   CYS A  34       6.772   2.819   1.877  1.00  0.00           C  
ATOM    420  O   CYS A  34       7.671   3.571   1.503  1.00  0.00           O  
ATOM    421  CB  CYS A  34       4.330   3.125   1.269  1.00  0.00           C  
ATOM    422  SG  CYS A  34       3.912   1.343   1.230  1.00  0.00           S  
ATOM    423  H   CYS A  34       6.005   5.326   1.840  1.00  0.00           H  
ATOM    424  HA  CYS A  34       5.089   2.926   3.245  1.00  0.00           H  
ATOM    425  HB2 CYS A  34       3.441   3.711   1.505  1.00  0.00           H  
ATOM    426  HB3 CYS A  34       4.673   3.448   0.286  1.00  0.00           H  
ATOM    427  N   CYS A  35       6.875   1.500   1.942  1.00  0.00           N  
ATOM    428  CA  CYS A  35       8.104   0.826   1.559  1.00  0.00           C  
ATOM    429  C   CYS A  35       9.228   1.322   2.471  1.00  0.00           C  
ATOM    430  O   CYS A  35       9.147   2.420   3.022  1.00  0.00           O  
ATOM    431  CB  CYS A  35       8.432   1.042   0.081  1.00  0.00           C  
ATOM    432  SG  CYS A  35       7.561  -0.202  -0.941  1.00  0.00           S  
ATOM    433  H   CYS A  35       6.140   0.896   2.248  1.00  0.00           H  
ATOM    434  HA  CYS A  35       7.933  -0.241   1.701  1.00  0.00           H  
ATOM    435  HB2 CYS A  35       8.135   2.046  -0.223  1.00  0.00           H  
ATOM    436  HB3 CYS A  35       9.507   0.967  -0.078  1.00  0.00           H  
ATOM    437  N   GLY A  36      10.251   0.490   2.603  1.00  0.00           N  
ATOM    438  CA  GLY A  36      11.389   0.830   3.439  1.00  0.00           C  
ATOM    439  C   GLY A  36      11.924  -0.405   4.167  1.00  0.00           C  
ATOM    440  O   GLY A  36      12.035  -0.409   5.392  1.00  0.00           O  
ATOM    441  H   GLY A  36      10.308  -0.401   2.153  1.00  0.00           H  
ATOM    442  HA2 GLY A  36      12.178   1.266   2.826  1.00  0.00           H  
ATOM    443  HA3 GLY A  36      11.098   1.588   4.167  1.00  0.00           H  
ATOM    444  N   ILE A  37      12.242  -1.424   3.381  1.00  0.00           N  
ATOM    445  CA  ILE A  37      12.762  -2.662   3.936  1.00  0.00           C  
ATOM    446  C   ILE A  37      13.724  -2.338   5.080  1.00  0.00           C  
ATOM    447  O   ILE A  37      14.273  -1.239   5.143  1.00  0.00           O  
ATOM    448  CB  ILE A  37      13.384  -3.523   2.833  1.00  0.00           C  
ATOM    449  CG1 ILE A  37      12.461  -4.682   2.457  1.00  0.00           C  
ATOM    450  CG2 ILE A  37      14.778  -4.007   3.238  1.00  0.00           C  
ATOM    451  CD1 ILE A  37      12.919  -5.985   3.115  1.00  0.00           C  
ATOM    452  H   ILE A  37      12.149  -1.412   2.386  1.00  0.00           H  
ATOM    453  HA  ILE A  37      11.918  -3.219   4.341  1.00  0.00           H  
ATOM    454  HB  ILE A  37      13.504  -2.904   1.944  1.00  0.00           H  
ATOM    455 HG12 ILE A  37      11.440  -4.454   2.765  1.00  0.00           H  
ATOM    456 HG13 ILE A  37      12.447  -4.803   1.374  1.00  0.00           H  
ATOM    457 HG21 ILE A  37      15.391  -3.153   3.525  1.00  0.00           H  
ATOM    458 HG22 ILE A  37      14.694  -4.694   4.080  1.00  0.00           H  
ATOM    459 HG23 ILE A  37      15.242  -4.520   2.395  1.00  0.00           H  
ATOM    460 HD11 ILE A  37      12.948  -5.854   4.197  1.00  0.00           H  
ATOM    461 HD12 ILE A  37      12.221  -6.784   2.865  1.00  0.00           H  
ATOM    462 HD13 ILE A  37      13.914  -6.244   2.753  1.00  0.00           H  
TER     463      ILE A  37                                                      
HETATM  464 CD    CD A 104       1.313   1.462   1.395  1.00  0.00          CD  
HETATM  465 CD    CD A 105       0.963  -2.592   2.857  1.00  0.00          CD  
HETATM  466 CD    CD A 106       0.942  -1.727  -1.184  1.00  0.00          CD  
HETATM  467 CD    CD A 107       5.093   0.211  -0.951  1.00  0.00          CD  
CONECT   70  464  466                                                           
CONECT   96  467                                                                
CONECT  106  466                                                                
CONECT  189  466  467                                                           
CONECT  209  465                                                                
CONECT  275  465                                                                
CONECT  285  465  466                                                           
CONECT  345  464                                                                
CONECT  347  464  465                                                           
CONECT  357  464                                                                
CONECT  422  464  467                                                           
CONECT  432  467                                                                
CONECT  464   70  345  347  357                                                 
CONECT  464  422                                                                
CONECT  465  209  275  285  347                                                 
CONECT  466   70  106  189  285                                                 
CONECT  467   96  189  422  432                                                 
MASTER      169    0    4    2    0    0    5    6  250    1   17    3          
END