1T2Y.pdb

HEADER    METAL BINDING PROTEIN                   23-APR-04   1T2Y              
TITLE     NMR SOLUTION STRUCTURE OF THE PROTEIN PART OF CU6-                    
TITLE    2 NEUROSPORA CRASSA MT                                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: MT;                                                         
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
SOURCE   4 SEQUENCE OF THE PEPTIDE OCCURS NATURALLY IN THE FUNGUS               
SOURCE   5 NEUROSPORA CRASSA.                                                   
KEYWDS    PROTEIN FOLD, NO SECONDARY STRUCTURAL ELEMENTS, METAL                 
KEYWDS   2 BINDING PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
AUTHOR    P.A.COBINE,R.T.MCKAY,K.ZANGGER,C.T.DAMERON,I.M.ARMITAGE               
REVDAT   2   24-FEB-09 1T2Y    1       VERSN                                    
REVDAT   1   23-NOV-04 1T2Y    0                                                
JRNL        AUTH   P.A.COBINE,R.T.MCKAY,K.ZANGGER,C.T.DAMERON,                  
JRNL        AUTH 2 I.M.ARMITAGE                                                 
JRNL        TITL   SOLUTION STRUCTURE OF CU METALLOTHIONEIN FROM THE            
JRNL        TITL 2 FUNGUS NEUROSPORA CRASSA                                     
JRNL        REF    EUR.J.BIOCHEM.                V. 271  4213 2004              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   15511227                                                     
JRNL        DOI    10.1111/J.1432-1033.2004.04361.X                             
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE WAS CALCULATED WITH         
REMARK   3  152 NOES AND 13 DIHEDRAL ANGLE RESTRAINTS                           
REMARK   4                                                                      
REMARK   4 1T2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-APR-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB022245.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 283                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20 MM KPI                          
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM NEUROSPORA CRASSA MT,       
REMARK 210  20 MM PHOSPHATE BUFFER, 0.1 MM 2,2-DIMETHYL-2-SILAPENTANE-5-        
REMARK 210  SULFONATE, 0.02% NAN3, 90% H2O, 10% D2O                             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D TOCSY, 2D NOESY, DQF-COSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE YEAR 2000, X-PLOR          
REMARK 210                                   3.851                              
REMARK 210   METHOD USED                   : THE HYBRID DISTANCE GEOMETRY-      
REMARK 210                                   DYNAMICAL SIMULATED ANNEALING      
REMARK 210                                   PROTOCOL                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES                                              
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 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   2      121.70     64.23                                   
REMARK 500    CYS A   3       69.47    166.31                                   
REMARK 500    ALA A   8       28.14     36.16                                   
REMARK 500    CYS A  13      -28.30    -39.71                                   
REMARK 500    SER A  15      -85.05    -77.49                                   
REMARK 500    CYS A  17      125.77    -34.27                                   
REMARK 500    SER A  18      -73.80    -95.36                                   
REMARK 500    CYS A  19      155.17    -38.49                                   
REMARK 500    SER A  24      178.38    -47.73                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1T2Y A    1    25  UNP    P02807   MT_NEUCR         1     25             
SEQRES   1 A   25  GLY ASP CYS GLY CYS SER GLY ALA SER SER CYS ASN CYS          
SEQRES   2 A   25  GLY SER GLY CYS SER CYS SER ASN CYS GLY SER LYS              
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   GLY A   1      -6.727  -5.873   3.497  1.00  0.00           N  
ATOM      2  CA  GLY A   1      -7.588  -6.064   2.295  1.00  0.00           C  
ATOM      3  C   GLY A   1      -7.764  -4.726   1.575  1.00  0.00           C  
ATOM      4  O   GLY A   1      -8.853  -4.362   1.179  1.00  0.00           O  
ATOM      5  H1  GLY A   1      -7.014  -6.541   4.240  1.00  0.00           H  
ATOM      6  H2  GLY A   1      -6.832  -4.899   3.846  1.00  0.00           H  
ATOM      7  H3  GLY A   1      -5.734  -6.046   3.243  1.00  0.00           H  
ATOM      8  HA2 GLY A   1      -7.121  -6.775   1.629  1.00  0.00           H  
ATOM      9  HA3 GLY A   1      -8.554  -6.435   2.600  1.00  0.00           H  
ATOM     10  N   ASP A   2      -6.700  -3.990   1.401  1.00  0.00           N  
ATOM     11  CA  ASP A   2      -6.811  -2.674   0.706  1.00  0.00           C  
ATOM     12  C   ASP A   2      -7.680  -1.720   1.525  1.00  0.00           C  
ATOM     13  O   ASP A   2      -8.825  -2.008   1.813  1.00  0.00           O  
ATOM     14  CB  ASP A   2      -7.483  -2.981  -0.631  1.00  0.00           C  
ATOM     15  CG  ASP A   2      -6.904  -4.271  -1.223  1.00  0.00           C  
ATOM     16  OD1 ASP A   2      -5.717  -4.497  -1.055  1.00  0.00           O  
ATOM     17  OD2 ASP A   2      -7.659  -5.009  -1.835  1.00  0.00           O  
ATOM     18  H   ASP A   2      -5.830  -4.300   1.729  1.00  0.00           H  
ATOM     19  HA  ASP A   2      -5.835  -2.250   0.540  1.00  0.00           H  
ATOM     20  HB2 ASP A   2      -8.545  -3.096  -0.476  1.00  0.00           H  
ATOM     21  HB3 ASP A   2      -7.308  -2.166  -1.312  1.00  0.00           H  
ATOM     22  N   CYS A   3      -7.150  -0.587   1.909  1.00  0.00           N  
ATOM     23  CA  CYS A   3      -7.954   0.379   2.718  1.00  0.00           C  
ATOM     24  C   CYS A   3      -7.042   1.444   3.324  1.00  0.00           C  
ATOM     25  O   CYS A   3      -6.818   1.476   4.517  1.00  0.00           O  
ATOM     26  CB  CYS A   3      -8.579  -0.457   3.833  1.00  0.00           C  
ATOM     27  SG  CYS A   3     -10.380  -0.449   3.661  1.00  0.00           S  
ATOM     28  H   CYS A   3      -6.223  -0.370   1.667  1.00  0.00           H  
ATOM     29  HA  CYS A   3      -8.725   0.833   2.117  1.00  0.00           H  
ATOM     30  HB2 CYS A   3      -8.213  -1.470   3.767  1.00  0.00           H  
ATOM     31  HB3 CYS A   3      -8.304  -0.038   4.788  1.00  0.00           H  
ATOM     32  HG  CYS A   3     -10.651  -1.310   3.334  1.00  0.00           H  
ATOM     33  N   GLY A   4      -6.501   2.306   2.516  1.00  0.00           N  
ATOM     34  CA  GLY A   4      -5.593   3.350   3.051  1.00  0.00           C  
ATOM     35  C   GLY A   4      -4.632   3.731   1.945  1.00  0.00           C  
ATOM     36  O   GLY A   4      -4.022   4.782   1.956  1.00  0.00           O  
ATOM     37  H   GLY A   4      -6.677   2.263   1.545  1.00  0.00           H  
ATOM     38  HA2 GLY A   4      -6.165   4.212   3.359  1.00  0.00           H  
ATOM     39  HA3 GLY A   4      -5.037   2.957   3.889  1.00  0.00           H  
ATOM     40  N   CYS A   5      -4.501   2.871   0.980  1.00  0.00           N  
ATOM     41  CA  CYS A   5      -3.598   3.147  -0.144  1.00  0.00           C  
ATOM     42  C   CYS A   5      -4.244   4.115  -1.118  1.00  0.00           C  
ATOM     43  O   CYS A   5      -5.098   3.759  -1.902  1.00  0.00           O  
ATOM     44  CB  CYS A   5      -3.401   1.800  -0.817  1.00  0.00           C  
ATOM     45  SG  CYS A   5      -1.632   1.479  -1.014  1.00  0.00           S  
ATOM     46  H   CYS A   5      -5.003   2.036   0.995  1.00  0.00           H  
ATOM     47  HA  CYS A   5      -2.653   3.527   0.207  1.00  0.00           H  
ATOM     48  HB2 CYS A   5      -3.849   1.029  -0.207  1.00  0.00           H  
ATOM     49  HB3 CYS A   5      -3.876   1.816  -1.786  1.00  0.00           H  
ATOM     50  HG  CYS A   5      -1.185   1.791  -0.223  1.00  0.00           H  
ATOM     51  N   SER A   6      -3.810   5.327  -1.109  1.00  0.00           N  
ATOM     52  CA  SER A   6      -4.357   6.317  -2.073  1.00  0.00           C  
ATOM     53  C   SER A   6      -3.830   5.992  -3.480  1.00  0.00           C  
ATOM     54  O   SER A   6      -3.964   6.772  -4.401  1.00  0.00           O  
ATOM     55  CB  SER A   6      -3.822   7.665  -1.599  1.00  0.00           C  
ATOM     56  OG  SER A   6      -4.847   8.358  -0.899  1.00  0.00           O  
ATOM     57  H   SER A   6      -3.104   5.577  -0.488  1.00  0.00           H  
ATOM     58  HA  SER A   6      -5.436   6.312  -2.056  1.00  0.00           H  
ATOM     59  HB2 SER A   6      -2.985   7.508  -0.940  1.00  0.00           H  
ATOM     60  HB3 SER A   6      -3.501   8.243  -2.455  1.00  0.00           H  
ATOM     61  HG  SER A   6      -4.460   8.737  -0.106  1.00  0.00           H  
ATOM     62  N   GLY A   7      -3.230   4.837  -3.646  1.00  0.00           N  
ATOM     63  CA  GLY A   7      -2.691   4.443  -4.978  1.00  0.00           C  
ATOM     64  C   GLY A   7      -2.744   2.922  -5.071  1.00  0.00           C  
ATOM     65  O   GLY A   7      -3.583   2.305  -4.457  1.00  0.00           O  
ATOM     66  H   GLY A   7      -3.135   4.216  -2.891  1.00  0.00           H  
ATOM     67  HA2 GLY A   7      -3.293   4.884  -5.760  1.00  0.00           H  
ATOM     68  HA3 GLY A   7      -1.669   4.774  -5.070  1.00  0.00           H  
ATOM     69  N   ALA A   8      -1.826   2.305  -5.774  1.00  0.00           N  
ATOM     70  CA  ALA A   8      -1.811   0.804  -5.843  1.00  0.00           C  
ATOM     71  C   ALA A   8      -3.221   0.243  -5.861  1.00  0.00           C  
ATOM     72  O   ALA A   8      -3.476  -0.848  -5.403  1.00  0.00           O  
ATOM     73  CB  ALA A   8      -1.149   0.379  -4.568  1.00  0.00           C  
ATOM     74  H   ALA A   8      -1.110   2.821  -6.200  1.00  0.00           H  
ATOM     75  HA  ALA A   8      -1.266   0.453  -6.696  1.00  0.00           H  
ATOM     76  HB1 ALA A   8      -0.617  -0.539  -4.735  1.00  0.00           H  
ATOM     77  HB2 ALA A   8      -1.915   0.229  -3.818  1.00  0.00           H  
ATOM     78  HB3 ALA A   8      -0.472   1.150  -4.247  1.00  0.00           H  
ATOM     79  N   SER A   9      -4.136   0.981  -6.358  1.00  0.00           N  
ATOM     80  CA  SER A   9      -5.530   0.496  -6.369  1.00  0.00           C  
ATOM     81  C   SER A   9      -5.982   0.240  -4.929  1.00  0.00           C  
ATOM     82  O   SER A   9      -6.677  -0.713  -4.642  1.00  0.00           O  
ATOM     83  CB  SER A   9      -5.502  -0.801  -7.176  1.00  0.00           C  
ATOM     84  OG  SER A   9      -4.410  -0.765  -8.086  1.00  0.00           O  
ATOM     85  H   SER A   9      -3.911   1.861  -6.703  1.00  0.00           H  
ATOM     86  HA  SER A   9      -6.157   1.217  -6.838  1.00  0.00           H  
ATOM     87  HB2 SER A   9      -5.380  -1.639  -6.510  1.00  0.00           H  
ATOM     88  HB3 SER A   9      -6.432  -0.907  -7.717  1.00  0.00           H  
ATOM     89  HG  SER A   9      -3.746  -1.386  -7.780  1.00  0.00           H  
ATOM     90  N   SER A  10      -5.573   1.092  -4.026  1.00  0.00           N  
ATOM     91  CA  SER A  10      -5.945   0.932  -2.592  1.00  0.00           C  
ATOM     92  C   SER A  10      -5.221  -0.273  -1.985  1.00  0.00           C  
ATOM     93  O   SER A  10      -5.700  -0.900  -1.063  1.00  0.00           O  
ATOM     94  CB  SER A  10      -7.459   0.742  -2.588  1.00  0.00           C  
ATOM     95  OG  SER A  10      -7.770  -0.643  -2.618  1.00  0.00           O  
ATOM     96  H   SER A  10      -5.005   1.845  -4.296  1.00  0.00           H  
ATOM     97  HA  SER A  10      -5.694   1.821  -2.044  1.00  0.00           H  
ATOM     98  HB2 SER A  10      -7.870   1.178  -1.693  1.00  0.00           H  
ATOM     99  HB3 SER A  10      -7.880   1.238  -3.453  1.00  0.00           H  
ATOM    100  HG  SER A  10      -8.674  -0.737  -2.928  1.00  0.00           H  
ATOM    101  N   CYS A  11      -4.056  -0.590  -2.489  1.00  0.00           N  
ATOM    102  CA  CYS A  11      -3.289  -1.747  -1.938  1.00  0.00           C  
ATOM    103  C   CYS A  11      -2.573  -1.340  -0.642  1.00  0.00           C  
ATOM    104  O   CYS A  11      -1.366  -1.208  -0.598  1.00  0.00           O  
ATOM    105  CB  CYS A  11      -2.278  -2.113  -3.031  1.00  0.00           C  
ATOM    106  SG  CYS A  11      -1.624  -3.771  -2.713  1.00  0.00           S  
ATOM    107  H   CYS A  11      -3.683  -0.062  -3.226  1.00  0.00           H  
ATOM    108  HA  CYS A  11      -3.949  -2.580  -1.756  1.00  0.00           H  
ATOM    109  HB2 CYS A  11      -2.767  -2.102  -3.992  1.00  0.00           H  
ATOM    110  HB3 CYS A  11      -1.468  -1.397  -3.034  1.00  0.00           H  
ATOM    111  HG  CYS A  11      -1.731  -4.290  -3.514  1.00  0.00           H  
ATOM    112  N   ASN A  12      -3.319  -1.153   0.416  1.00  0.00           N  
ATOM    113  CA  ASN A  12      -2.712  -0.762   1.725  1.00  0.00           C  
ATOM    114  C   ASN A  12      -2.241  -2.006   2.480  1.00  0.00           C  
ATOM    115  O   ASN A  12      -2.075  -1.986   3.683  1.00  0.00           O  
ATOM    116  CB  ASN A  12      -3.847  -0.088   2.495  1.00  0.00           C  
ATOM    117  CG  ASN A  12      -3.269   0.764   3.626  1.00  0.00           C  
ATOM    118  OD1 ASN A  12      -2.178   1.289   3.513  1.00  0.00           O  
ATOM    119  ND2 ASN A  12      -3.960   0.922   4.722  1.00  0.00           N  
ATOM    120  H   ASN A  12      -4.285  -1.277   0.351  1.00  0.00           H  
ATOM    121  HA  ASN A  12      -1.901  -0.066   1.581  1.00  0.00           H  
ATOM    122  HB2 ASN A  12      -4.411   0.537   1.824  1.00  0.00           H  
ATOM    123  HB3 ASN A  12      -4.494  -0.843   2.913  1.00  0.00           H  
ATOM    124 HD21 ASN A  12      -4.838   0.497   4.812  1.00  0.00           H  
ATOM    125 HD22 ASN A  12      -3.601   1.465   5.454  1.00  0.00           H  
ATOM    126  N   CYS A  13      -2.056  -3.095   1.784  1.00  0.00           N  
ATOM    127  CA  CYS A  13      -1.631  -4.357   2.451  1.00  0.00           C  
ATOM    128  C   CYS A  13      -0.603  -4.064   3.532  1.00  0.00           C  
ATOM    129  O   CYS A  13      -0.477  -4.777   4.507  1.00  0.00           O  
ATOM    130  CB  CYS A  13      -1.010  -5.188   1.330  1.00  0.00           C  
ATOM    131  SG  CYS A  13      -2.319  -5.783   0.231  1.00  0.00           S  
ATOM    132  H   CYS A  13      -2.228  -3.090   0.828  1.00  0.00           H  
ATOM    133  HA  CYS A  13      -2.479  -4.874   2.850  1.00  0.00           H  
ATOM    134  HB2 CYS A  13      -0.320  -4.577   0.769  1.00  0.00           H  
ATOM    135  HB3 CYS A  13      -0.486  -6.031   1.754  1.00  0.00           H  
ATOM    136  HG  CYS A  13      -3.082  -5.210   0.341  1.00  0.00           H  
ATOM    137  N   GLY A  14       0.132  -3.015   3.349  1.00  0.00           N  
ATOM    138  CA  GLY A  14       1.174  -2.644   4.347  1.00  0.00           C  
ATOM    139  C   GLY A  14       2.273  -3.705   4.333  1.00  0.00           C  
ATOM    140  O   GLY A  14       3.404  -3.440   3.974  1.00  0.00           O  
ATOM    141  H   GLY A  14      -0.002  -2.473   2.544  1.00  0.00           H  
ATOM    142  HA2 GLY A  14       1.593  -1.681   4.092  1.00  0.00           H  
ATOM    143  HA3 GLY A  14       0.734  -2.599   5.331  1.00  0.00           H  
ATOM    144  N   SER A  15       1.944  -4.909   4.709  1.00  0.00           N  
ATOM    145  CA  SER A  15       2.962  -5.996   4.706  1.00  0.00           C  
ATOM    146  C   SER A  15       3.183  -6.489   3.280  1.00  0.00           C  
ATOM    147  O   SER A  15       4.079  -6.052   2.587  1.00  0.00           O  
ATOM    148  CB  SER A  15       2.361  -7.101   5.572  1.00  0.00           C  
ATOM    149  OG  SER A  15       2.807  -6.941   6.912  1.00  0.00           O  
ATOM    150  H   SER A  15       1.024  -5.101   4.985  1.00  0.00           H  
ATOM    151  HA  SER A  15       3.884  -5.656   5.130  1.00  0.00           H  
ATOM    152  HB2 SER A  15       1.287  -7.038   5.545  1.00  0.00           H  
ATOM    153  HB3 SER A  15       2.672  -8.065   5.190  1.00  0.00           H  
ATOM    154  HG  SER A  15       3.508  -7.578   7.071  1.00  0.00           H  
ATOM    155  N   GLY A  16       2.364  -7.395   2.843  1.00  0.00           N  
ATOM    156  CA  GLY A  16       2.504  -7.930   1.458  1.00  0.00           C  
ATOM    157  C   GLY A  16       2.790  -6.778   0.493  1.00  0.00           C  
ATOM    158  O   GLY A  16       3.684  -6.859  -0.325  1.00  0.00           O  
ATOM    159  H   GLY A  16       1.654  -7.722   3.428  1.00  0.00           H  
ATOM    160  HA2 GLY A  16       3.319  -8.638   1.427  1.00  0.00           H  
ATOM    161  HA3 GLY A  16       1.588  -8.420   1.167  1.00  0.00           H  
ATOM    162  N   CYS A  17       2.026  -5.715   0.580  1.00  0.00           N  
ATOM    163  CA  CYS A  17       2.232  -4.545  -0.332  1.00  0.00           C  
ATOM    164  C   CYS A  17       3.731  -4.377  -0.642  1.00  0.00           C  
ATOM    165  O   CYS A  17       4.554  -4.305   0.249  1.00  0.00           O  
ATOM    166  CB  CYS A  17       1.643  -3.350   0.453  1.00  0.00           C  
ATOM    167  SG  CYS A  17       2.718  -1.887   0.357  1.00  0.00           S  
ATOM    168  H   CYS A  17       1.305  -5.692   1.241  1.00  0.00           H  
ATOM    169  HA  CYS A  17       1.672  -4.685  -1.244  1.00  0.00           H  
ATOM    170  HB2 CYS A  17       0.675  -3.100   0.040  1.00  0.00           H  
ATOM    171  HB3 CYS A  17       1.516  -3.633   1.489  1.00  0.00           H  
ATOM    172  HG  CYS A  17       3.135  -1.769   1.214  1.00  0.00           H  
ATOM    173  N   SER A  18       4.089  -4.340  -1.899  1.00  0.00           N  
ATOM    174  CA  SER A  18       5.530  -4.208  -2.266  1.00  0.00           C  
ATOM    175  C   SER A  18       5.905  -2.752  -2.526  1.00  0.00           C  
ATOM    176  O   SER A  18       6.580  -2.116  -1.742  1.00  0.00           O  
ATOM    177  CB  SER A  18       5.677  -5.025  -3.549  1.00  0.00           C  
ATOM    178  OG  SER A  18       5.703  -6.408  -3.225  1.00  0.00           O  
ATOM    179  H   SER A  18       3.413  -4.419  -2.605  1.00  0.00           H  
ATOM    180  HA  SER A  18       6.153  -4.624  -1.504  1.00  0.00           H  
ATOM    181  HB2 SER A  18       4.841  -4.829  -4.200  1.00  0.00           H  
ATOM    182  HB3 SER A  18       6.594  -4.744  -4.051  1.00  0.00           H  
ATOM    183  HG  SER A  18       4.867  -6.631  -2.811  1.00  0.00           H  
ATOM    184  N   CYS A  19       5.479  -2.240  -3.635  1.00  0.00           N  
ATOM    185  CA  CYS A  19       5.805  -0.827  -4.002  1.00  0.00           C  
ATOM    186  C   CYS A  19       5.761   0.086  -2.771  1.00  0.00           C  
ATOM    187  O   CYS A  19       5.090  -0.194  -1.798  1.00  0.00           O  
ATOM    188  CB  CYS A  19       4.727  -0.423  -5.007  1.00  0.00           C  
ATOM    189  SG  CYS A  19       5.073  -1.202  -6.604  1.00  0.00           S  
ATOM    190  H   CYS A  19       4.950  -2.796  -4.240  1.00  0.00           H  
ATOM    191  HA  CYS A  19       6.776  -0.778  -4.469  1.00  0.00           H  
ATOM    192  HB2 CYS A  19       3.761  -0.748  -4.650  1.00  0.00           H  
ATOM    193  HB3 CYS A  19       4.726   0.651  -5.123  1.00  0.00           H  
ATOM    194  HG  CYS A  19       4.942  -2.147  -6.506  1.00  0.00           H  
ATOM    195  N   SER A  20       6.476   1.182  -2.812  1.00  0.00           N  
ATOM    196  CA  SER A  20       6.479   2.119  -1.651  1.00  0.00           C  
ATOM    197  C   SER A  20       5.115   2.802  -1.524  1.00  0.00           C  
ATOM    198  O   SER A  20       4.508   2.803  -0.471  1.00  0.00           O  
ATOM    199  CB  SER A  20       7.568   3.143  -1.970  1.00  0.00           C  
ATOM    200  OG  SER A  20       7.496   3.493  -3.347  1.00  0.00           O  
ATOM    201  H   SER A  20       7.008   1.389  -3.608  1.00  0.00           H  
ATOM    202  HA  SER A  20       6.724   1.592  -0.742  1.00  0.00           H  
ATOM    203  HB2 SER A  20       7.421   4.027  -1.371  1.00  0.00           H  
ATOM    204  HB3 SER A  20       8.538   2.717  -1.746  1.00  0.00           H  
ATOM    205  HG  SER A  20       8.042   4.271  -3.484  1.00  0.00           H  
ATOM    206  N   ASN A  21       4.622   3.375  -2.590  1.00  0.00           N  
ATOM    207  CA  ASN A  21       3.291   4.042  -2.519  1.00  0.00           C  
ATOM    208  C   ASN A  21       2.256   3.042  -2.009  1.00  0.00           C  
ATOM    209  O   ASN A  21       1.341   3.385  -1.288  1.00  0.00           O  
ATOM    210  CB  ASN A  21       2.971   4.462  -3.955  1.00  0.00           C  
ATOM    211  CG  ASN A  21       1.777   5.419  -3.954  1.00  0.00           C  
ATOM    212  OD1 ASN A  21       0.737   5.111  -4.502  1.00  0.00           O  
ATOM    213  ND2 ASN A  21       1.882   6.575  -3.357  1.00  0.00           N  
ATOM    214  H   ASN A  21       5.120   3.357  -3.433  1.00  0.00           H  
ATOM    215  HA  ASN A  21       3.333   4.908  -1.877  1.00  0.00           H  
ATOM    216  HB2 ASN A  21       3.831   4.957  -4.386  1.00  0.00           H  
ATOM    217  HB3 ASN A  21       2.728   3.588  -4.541  1.00  0.00           H  
ATOM    218 HD21 ASN A  21       2.721   6.824  -2.915  1.00  0.00           H  
ATOM    219 HD22 ASN A  21       1.123   7.194  -3.351  1.00  0.00           H  
ATOM    220  N   CYS A  22       2.406   1.799  -2.375  1.00  0.00           N  
ATOM    221  CA  CYS A  22       1.447   0.760  -1.911  1.00  0.00           C  
ATOM    222  C   CYS A  22       1.435   0.713  -0.381  1.00  0.00           C  
ATOM    223  O   CYS A  22       0.483   0.276   0.234  1.00  0.00           O  
ATOM    224  CB  CYS A  22       1.987  -0.547  -2.487  1.00  0.00           C  
ATOM    225  SG  CYS A  22       0.821  -1.886  -2.152  1.00  0.00           S  
ATOM    226  H   CYS A  22       3.157   1.548  -2.952  1.00  0.00           H  
ATOM    227  HA  CYS A  22       0.459   0.955  -2.295  1.00  0.00           H  
ATOM    228  HB2 CYS A  22       2.119  -0.443  -3.554  1.00  0.00           H  
ATOM    229  HB3 CYS A  22       2.938  -0.775  -2.028  1.00  0.00           H  
ATOM    230  HG  CYS A  22       1.011  -2.604  -2.761  1.00  0.00           H  
ATOM    231  N   GLY A  23       2.492   1.163   0.235  1.00  0.00           N  
ATOM    232  CA  GLY A  23       2.553   1.154   1.723  1.00  0.00           C  
ATOM    233  C   GLY A  23       3.878   1.772   2.174  1.00  0.00           C  
ATOM    234  O   GLY A  23       4.833   1.077   2.460  1.00  0.00           O  
ATOM    235  H   GLY A  23       3.247   1.510  -0.283  1.00  0.00           H  
ATOM    236  HA2 GLY A  23       1.730   1.731   2.120  1.00  0.00           H  
ATOM    237  HA3 GLY A  23       2.490   0.139   2.084  1.00  0.00           H  
ATOM    238  N   SER A  24       3.945   3.074   2.231  1.00  0.00           N  
ATOM    239  CA  SER A  24       5.211   3.741   2.655  1.00  0.00           C  
ATOM    240  C   SER A  24       5.759   3.091   3.927  1.00  0.00           C  
ATOM    241  O   SER A  24       5.170   2.182   4.478  1.00  0.00           O  
ATOM    242  CB  SER A  24       4.820   5.194   2.925  1.00  0.00           C  
ATOM    243  OG  SER A  24       3.518   5.231   3.495  1.00  0.00           O  
ATOM    244  H   SER A  24       3.164   3.615   1.990  1.00  0.00           H  
ATOM    245  HA  SER A  24       5.942   3.699   1.864  1.00  0.00           H  
ATOM    246  HB2 SER A  24       5.522   5.635   3.613  1.00  0.00           H  
ATOM    247  HB3 SER A  24       4.834   5.748   1.996  1.00  0.00           H  
ATOM    248  HG  SER A  24       3.599   5.046   4.433  1.00  0.00           H  
ATOM    249  N   LYS A  25       6.886   3.554   4.397  1.00  0.00           N  
ATOM    250  CA  LYS A  25       7.480   2.970   5.634  1.00  0.00           C  
ATOM    251  C   LYS A  25       6.388   2.708   6.675  1.00  0.00           C  
ATOM    252  O   LYS A  25       6.588   1.840   7.509  1.00  0.00           O  
ATOM    253  CB  LYS A  25       8.455   4.034   6.139  1.00  0.00           C  
ATOM    254  CG  LYS A  25       9.892   3.535   5.967  1.00  0.00           C  
ATOM    255  CD  LYS A  25      10.615   4.406   4.938  1.00  0.00           C  
ATOM    256  CE  LYS A  25      12.038   4.696   5.420  1.00  0.00           C  
ATOM    257  NZ  LYS A  25      12.359   6.047   4.882  1.00  0.00           N  
ATOM    258  OXT LYS A  25       5.370   3.379   6.619  1.00  0.00           O  
ATOM    259  H   LYS A  25       7.342   4.288   3.936  1.00  0.00           H  
ATOM    260  HA  LYS A  25       8.012   2.061   5.405  1.00  0.00           H  
ATOM    261  HB2 LYS A  25       8.319   4.944   5.572  1.00  0.00           H  
ATOM    262  HB3 LYS A  25       8.266   4.229   7.184  1.00  0.00           H  
ATOM    263  HG2 LYS A  25      10.409   3.592   6.915  1.00  0.00           H  
ATOM    264  HG3 LYS A  25       9.880   2.512   5.624  1.00  0.00           H  
ATOM    265  HD2 LYS A  25      10.653   3.887   3.992  1.00  0.00           H  
ATOM    266  HD3 LYS A  25      10.081   5.337   4.817  1.00  0.00           H  
ATOM    267  HE2 LYS A  25      12.073   4.700   6.501  1.00  0.00           H  
ATOM    268  HE3 LYS A  25      12.726   3.966   5.022  1.00  0.00           H  
ATOM    269  HZ1 LYS A  25      11.731   6.752   5.316  1.00  0.00           H  
ATOM    270  HZ2 LYS A  25      12.223   6.049   3.850  1.00  0.00           H  
ATOM    271  HZ3 LYS A  25      13.347   6.283   5.102  1.00  0.00           H  
TER     272      LYS A  25                                                      
MASTER       78    0    0    0    0    0    0    6  271    1    0    2          
END