HEADER    METAL BINDING PROTEIN                   16-MAY-02   1J5M              
TITLE     SOLUTION STRUCTURE OF THE SYNTHETIC 113CD_3 BETA_N DOMAIN OF LOBSTER  
TITLE    2 METALLOTHIONEIN-1                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN-1;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: BETA_N DOMAIN (RESIDUES 1-28);                             
COMPND   5 SYNONYM: CUMT-1;                                                     
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE  
SOURCE   4 OF THE PEPTIDE IS NATURALLY FOUND IN HOMARUS AMERICANUS (AMERICAN    
SOURCE   5 LOBSTER).                                                            
KEYWDS    METALLOTHIONEIN, BETA-DOMAIN, METAL-SULFUR-CLUSTER, 2D-NMR, 113CD-    
KEYWDS   2 NMR, CONFORMATIONAL CHANGES, HN-S-HYDROGEN BONDS, METAL BINDING      
KEYWDS   3 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.MUNOZ,F.H.FORSTERLING,C.F.SHAW III,D.H.PETERING                     
REVDAT   7   08-MAY-24 1J5M    1       REMARK                                   
REVDAT   6   14-JUN-23 1J5M    1       REMARK LINK                              
REVDAT   5   05-FEB-20 1J5M    1       REMARK ATOM                              
REVDAT   4   24-FEB-09 1J5M    1       VERSN                                    
REVDAT   3   01-APR-03 1J5M    1       JRNL                                     
REVDAT   2   23-DEC-02 1J5M    1       EXPDTA JRNL   REMARK                     
REVDAT   1   22-MAY-02 1J5M    0                                                
SPRSDE     22-MAY-02 1J5M      1HZR                                             
JRNL        AUTH   A.MUNOZ,F.H.FORSTERLING,C.F.SHAW III,D.H.PETERING            
JRNL        TITL   STRUCTURE OF THE (113)CD(3)BETA DOMAINS FROM HOMARUS         
JRNL        TITL 2 AMERICANUS METALLOTHIONEIN-1: HYDROGEN BONDING AND SOLVENT   
JRNL        TITL 3 ACCESSIBILITY OF SULFUR ATOMS                                
JRNL        REF    J.BIOL.INORG.CHEM.            V.   7   713 2002              
JRNL        REFN                   ISSN 0949-8257                               
JRNL        PMID   12203008                                                     
JRNL        DOI    10.1007/S00775-002-0345-3                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR 2.5, X-PLOR 3.851                            
REMARK   3   AUTHORS     : BRUKER (XWINNMR), AXEL BRUNGER (X-PLOR)              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE IS BASED ON 276 DISTANCE RESTRAINTS, 240 DERIVED      
REMARK   3  FROM NOE, 33 METAL CLUSTER                                          
REMARK   3  RESTRAINTS FROM 113CD HSQC TOCSY AND 6 RESTRAINTS FROM HN-S         
REMARK   3  HYDROGEN BONDS. A TOTAL OF 27                                       
REMARK   3  DIHEDRAL ANGLE RESTRAINTS WAS APPLIED, 13 PHI, 10 CHI1 AND 4 CYS-   
REMARK   3  CD CHI2 ANGLES.  METHYLENE                                          
REMARK   3  PROTONS FOR WHICH NO STEREOSPECIFIC ASSIGNMENT COULD BE OBTAINED    
REMARK   3  WERE TREATED WITH THE                                               
REMARK   3  FLOATING CHIRALITY PROCEDURE IN XPLOR.                              
REMARK   4                                                                      
REMARK   4 1J5M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-MAY-02.                  
REMARK 100 THE DEPOSITION ID IS D_1000001641.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 278; 298                           
REMARK 210  PH                             : 7.4; 7.4                           
REMARK 210  IONIC STRENGTH                 : 5MM TRIS-HCL; 5MM TRIS-HCL         
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT                   
REMARK 210  SAMPLE CONTENTS                : 5MM (113CD)3-BETA_N, 5MM D-TRIS    
REMARK 210                                   -HCL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D-TOCSY; 2D-NOESY; DQF-COSY; PE   
REMARK 210                                   -COSY; 2D-113CD-HSQC-TOCSY         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 300 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DRX; DPX                           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.5, FELIX 2000, X-PLOR    
REMARK 210                                   3.851, MOLMOL 2K.1                 
REMARK 210   METHOD USED                   : AB INITIO SIMULATED ANNEALING      
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 : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: HN-S HYDROGEN BONDS WERE DETERMINED USING A 2D LONG RANGE    
REMARK 210  1H{113CD} HMQC EXPERIMENT                                           
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    CYS A   4     -171.75   -174.43                                   
REMARK 500    CYS A   5       29.10     40.27                                   
REMARK 500    ASP A   7      -35.18   -133.08                                   
REMARK 500    LYS A   8     -103.78   -135.78                                   
REMARK 500    CYS A   9      149.20    175.33                                   
REMARK 500    GLU A  10      -77.84   -137.61                                   
REMARK 500    CYS A  11       19.05     50.37                                   
REMARK 500    GLU A  13       31.78    -97.41                                   
REMARK 500    LYS A  17      -62.48   -128.26                                   
REMARK 500    THR A  18      -75.33   -163.23                                   
REMARK 500    CYS A  20      113.13    -29.69                                   
REMARK 500    THR A  23       38.44    -87.46                                   
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         0.32    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                              CD A  30  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   4   SG                                                     
REMARK 620 2 CYS A   5   SG  117.1                                              
REMARK 620 3 CYS A  16   SG  110.3 100.1                                        
REMARK 620 4 CYS A  20   SG  109.4 111.2 108.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  29  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   5   SG                                                     
REMARK 620 2 CYS A   9   SG  108.3                                              
REMARK 620 3 CYS A  22   SG  106.7 111.4                                        
REMARK 620 4 CYS A  25   SG  116.0 107.8 106.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  31  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  11   SG                                                     
REMARK 620 2 CYS A  16   SG  107.0                                              
REMARK 620 3 CYS A  25   SG  107.1 111.8                                        
REMARK 620 4 CYS A  27   SG  110.7 109.5 110.6                                  
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 29                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 30                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 31                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4725   RELATED DB: BMRB                                  
REMARK 900 CONTAINS 1H, 13C CHEMICAL SHIFTS AND 3JHNHA AND 3JHAHB COUPLING      
REMARK 900 CONSTANTS                                                            
REMARK 900 RELATED ID: 1J5L   RELATED DB: PDB                                   
REMARK 900 CONTAINS THE MINIMIZED AVERAGE STRUCTURE OF THE BETA_C DOMAIN OF     
REMARK 900 THIS PROTEIN                                                         
DBREF  1J5M A    1    28  UNP    P29499   MT1_HOMAM        1     28             
SEQRES   1 A   28  PRO GLY PRO CYS CYS LYS ASP LYS CYS GLU CYS ALA GLU          
SEQRES   2 A   28  GLY GLY CYS LYS THR GLY CYS LYS CYS THR SER CYS ARG          
SEQRES   3 A   28  CYS ALA                                                      
HET     CD  A  29       1                                                       
HET     CD  A  30       1                                                       
HET     CD  A  31       1                                                       
HETNAM      CD CADMIUM ION                                                      
FORMUL   2   CD    3(CD 2+)                                                     
LINK         SG  CYS A   4                CD    CD A  30     1555   1555  2.57  
LINK         SG  CYS A   5                CD    CD A  29     1555   1555  2.56  
LINK         SG  CYS A   5                CD    CD A  30     1555   1555  2.54  
LINK         SG  CYS A   9                CD    CD A  29     1555   1555  2.56  
LINK         SG  CYS A  11                CD    CD A  31     1555   1555  2.54  
LINK         SG  CYS A  16                CD    CD A  30     1555   1555  2.53  
LINK         SG  CYS A  16                CD    CD A  31     1555   1555  2.53  
LINK         SG  CYS A  20                CD    CD A  30     1555   1555  2.55  
LINK         SG  CYS A  22                CD    CD A  29     1555   1555  2.56  
LINK         SG  CYS A  25                CD    CD A  29     1555   1555  2.58  
LINK         SG  CYS A  25                CD    CD A  31     1555   1555  2.58  
LINK         SG  CYS A  27                CD    CD A  31     1555   1555  2.56  
SITE     1 AC1  4 CYS A   5  CYS A   9  CYS A  22  CYS A  25                    
SITE     1 AC2  4 CYS A   4  CYS A   5  CYS A  16  CYS A  20                    
SITE     1 AC3  4 CYS A  11  CYS A  16  CYS A  25  CYS A  27                    
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   1      11.235   0.553   9.071  1.00  2.13           N  
ATOM      2  CA  PRO A   1      12.692   0.310   8.835  1.00  1.50           C  
ATOM      3  C   PRO A   1      12.962   0.214   7.332  1.00  1.15           C  
ATOM      4  O   PRO A   1      12.094  -0.136   6.557  1.00  1.97           O  
ATOM      5  CB  PRO A   1      13.074  -1.005   9.513  1.00  2.10           C  
ATOM      6  CG  PRO A   1      11.815  -1.559  10.168  1.00  2.61           C  
ATOM      7  CD  PRO A   1      10.682  -0.576   9.880  1.00  2.63           C  
ATOM      8  H2  PRO A   1      10.737   0.601   8.160  1.00  2.45           H  
ATOM      9  H3  PRO A   1      11.110   1.448   9.586  1.00  2.60           H  
ATOM     10  HA  PRO A   1      13.270   1.117   9.259  1.00  1.98           H  
ATOM     11  HB2 PRO A   1      13.444  -1.704   8.777  1.00  2.58           H  
ATOM     12  HB3 PRO A   1      13.830  -0.826  10.263  1.00  2.57           H  
ATOM     13  HG2 PRO A   1      11.578  -2.526   9.749  1.00  3.21           H  
ATOM     14  HG3 PRO A   1      11.964  -1.647  11.234  1.00  3.08           H  
ATOM     15  HD2 PRO A   1       9.900  -1.073   9.326  1.00  3.21           H  
ATOM     16  HD3 PRO A   1      10.284  -0.196  10.810  1.00  3.15           H  
ATOM     17  N   GLY A   2      14.159   0.522   6.914  1.00  0.76           N  
ATOM     18  CA  GLY A   2      14.482   0.449   5.461  1.00  0.52           C  
ATOM     19  C   GLY A   2      13.540   1.370   4.681  1.00  0.52           C  
ATOM     20  O   GLY A   2      12.477   0.956   4.264  1.00  0.54           O  
ATOM     21  H   GLY A   2      14.845   0.802   7.555  1.00  1.47           H  
ATOM     22  HA2 GLY A   2      15.503   0.762   5.303  1.00  1.04           H  
ATOM     23  HA3 GLY A   2      14.360  -0.567   5.116  1.00  1.10           H  
ATOM     24  N   PRO A   3      13.962   2.598   4.510  1.00  0.52           N  
ATOM     25  CA  PRO A   3      13.181   3.616   3.783  1.00  0.54           C  
ATOM     26  C   PRO A   3      13.391   3.479   2.270  1.00  0.49           C  
ATOM     27  O   PRO A   3      13.305   4.442   1.534  1.00  0.80           O  
ATOM     28  CB  PRO A   3      13.773   4.936   4.282  1.00  0.57           C  
ATOM     29  CG  PRO A   3      15.201   4.611   4.791  1.00  0.57           C  
ATOM     30  CD  PRO A   3      15.254   3.090   5.033  1.00  0.54           C  
ATOM     31  HA  PRO A   3      12.136   3.557   4.037  1.00  0.57           H  
ATOM     32  HB2 PRO A   3      13.822   5.649   3.472  1.00  1.05           H  
ATOM     33  HB3 PRO A   3      13.173   5.330   5.088  1.00  1.07           H  
ATOM     34  HG2 PRO A   3      15.932   4.892   4.046  1.00  1.02           H  
ATOM     35  HG3 PRO A   3      15.393   5.139   5.713  1.00  1.06           H  
ATOM     36  HD2 PRO A   3      16.080   2.648   4.487  1.00  0.51           H  
ATOM     37  HD3 PRO A   3      15.340   2.877   6.088  1.00  0.59           H  
ATOM     38  N   CYS A   4      13.686   2.298   1.801  1.00  0.22           N  
ATOM     39  CA  CYS A   4      13.926   2.112   0.341  1.00  0.16           C  
ATOM     40  C   CYS A   4      14.112   0.635   0.041  1.00  0.19           C  
ATOM     41  O   CYS A   4      13.952  -0.214   0.895  1.00  0.37           O  
ATOM     42  CB  CYS A   4      15.220   2.825  -0.051  1.00  0.15           C  
ATOM     43  SG  CYS A   4      16.402   2.654   1.308  1.00  0.24           S  
ATOM     44  H   CYS A   4      13.771   1.537   2.407  1.00  0.33           H  
ATOM     45  HA  CYS A   4      13.100   2.509  -0.228  1.00  0.17           H  
ATOM     46  HB2 CYS A   4      15.626   2.376  -0.945  1.00  0.88           H  
ATOM     47  HB3 CYS A   4      15.019   3.871  -0.228  1.00  0.86           H  
ATOM     48  N   CYS A   5      14.494   0.335  -1.165  1.00  0.16           N  
ATOM     49  CA  CYS A   5      14.747  -1.074  -1.539  1.00  0.16           C  
ATOM     50  C   CYS A   5      13.691  -1.989  -0.919  1.00  0.20           C  
ATOM     51  O   CYS A   5      13.940  -3.146  -0.648  1.00  0.27           O  
ATOM     52  CB  CYS A   5      16.136  -1.452  -1.036  1.00  0.14           C  
ATOM     53  SG  CYS A   5      17.339  -0.305  -1.753  1.00  0.11           S  
ATOM     54  H   CYS A   5      14.644   1.048  -1.820  1.00  0.28           H  
ATOM     55  HA  CYS A   5      14.719  -1.170  -2.614  1.00  0.17           H  
ATOM     56  HB2 CYS A   5      16.167  -1.392   0.042  1.00  0.88           H  
ATOM     57  HB3 CYS A   5      16.367  -2.455  -1.356  1.00  0.91           H  
ATOM     58  N   LYS A   6      12.508  -1.484  -0.706  1.00  0.25           N  
ATOM     59  CA  LYS A   6      11.435  -2.331  -0.120  1.00  0.29           C  
ATOM     60  C   LYS A   6      10.794  -3.158  -1.235  1.00  0.35           C  
ATOM     61  O   LYS A   6      10.039  -4.077  -0.986  1.00  0.47           O  
ATOM     62  CB  LYS A   6      10.376  -1.439   0.531  1.00  0.31           C  
ATOM     63  CG  LYS A   6      10.061  -0.262  -0.394  1.00  1.31           C  
ATOM     64  CD  LYS A   6       8.547  -0.045  -0.446  1.00  1.67           C  
ATOM     65  CE  LYS A   6       8.184   1.205   0.357  1.00  2.40           C  
ATOM     66  NZ  LYS A   6       8.796   2.403  -0.283  1.00  3.03           N  
ATOM     67  H   LYS A   6      12.323  -0.551  -0.942  1.00  0.30           H  
ATOM     68  HA  LYS A   6      11.860  -2.991   0.622  1.00  0.33           H  
ATOM     69  HB2 LYS A   6       9.477  -2.013   0.702  1.00  0.37           H  
ATOM     70  HB3 LYS A   6      10.749  -1.066   1.474  1.00  0.94           H  
ATOM     71  HG2 LYS A   6      10.540   0.630  -0.018  1.00  1.95           H  
ATOM     72  HG3 LYS A   6      10.428  -0.477  -1.387  1.00  1.94           H  
ATOM     73  HD2 LYS A   6       8.237   0.084  -1.473  1.00  2.01           H  
ATOM     74  HD3 LYS A   6       8.046  -0.903  -0.024  1.00  2.06           H  
ATOM     75  HE2 LYS A   6       7.110   1.318   0.380  1.00  2.83           H  
ATOM     76  HE3 LYS A   6       8.557   1.106   1.366  1.00  2.81           H  
ATOM     77  HZ1 LYS A   6       8.069   3.133  -0.421  1.00  3.38           H  
ATOM     78  HZ2 LYS A   6       9.199   2.135  -1.205  1.00  3.35           H  
ATOM     79  HZ3 LYS A   6       9.549   2.777   0.328  1.00  3.42           H  
ATOM     80  N   ASP A   7      11.090  -2.835  -2.466  1.00  0.35           N  
ATOM     81  CA  ASP A   7      10.502  -3.594  -3.601  1.00  0.46           C  
ATOM     82  C   ASP A   7      11.599  -3.948  -4.609  1.00  0.39           C  
ATOM     83  O   ASP A   7      11.572  -4.996  -5.224  1.00  0.76           O  
ATOM     84  CB  ASP A   7       9.441  -2.732  -4.285  1.00  0.71           C  
ATOM     85  CG  ASP A   7       8.079  -2.988  -3.639  1.00  0.89           C  
ATOM     86  OD1 ASP A   7       8.027  -3.064  -2.422  1.00  1.46           O  
ATOM     87  OD2 ASP A   7       7.110  -3.105  -4.371  1.00  1.56           O  
ATOM     88  H   ASP A   7      11.698  -2.089  -2.644  1.00  0.34           H  
ATOM     89  HA  ASP A   7      10.045  -4.500  -3.231  1.00  0.60           H  
ATOM     90  HB2 ASP A   7       9.701  -1.689  -4.175  1.00  1.50           H  
ATOM     91  HB3 ASP A   7       9.398  -2.982  -5.332  1.00  0.66           H  
ATOM     92  N   LYS A   8      12.563  -3.084  -4.791  1.00  0.31           N  
ATOM     93  CA  LYS A   8      13.651  -3.382  -5.766  1.00  0.35           C  
ATOM     94  C   LYS A   8      15.015  -3.022  -5.157  1.00  0.29           C  
ATOM     95  O   LYS A   8      15.535  -3.741  -4.328  1.00  0.36           O  
ATOM     96  CB  LYS A   8      13.420  -2.575  -7.046  1.00  0.62           C  
ATOM     97  CG  LYS A   8      12.868  -1.194  -6.685  1.00  1.25           C  
ATOM     98  CD  LYS A   8      11.354  -1.175  -6.911  1.00  1.99           C  
ATOM     99  CE  LYS A   8      10.975   0.069  -7.717  1.00  2.57           C  
ATOM    100  NZ  LYS A   8       9.499   0.269  -7.657  1.00  3.24           N  
ATOM    101  H   LYS A   8      12.569  -2.242  -4.290  1.00  0.59           H  
ATOM    102  HA  LYS A   8      13.636  -4.436  -6.003  1.00  0.41           H  
ATOM    103  HB2 LYS A   8      14.355  -2.461  -7.574  1.00  0.63           H  
ATOM    104  HB3 LYS A   8      12.712  -3.093  -7.675  1.00  1.21           H  
ATOM    105  HG2 LYS A   8      13.079  -0.982  -5.648  1.00  1.68           H  
ATOM    106  HG3 LYS A   8      13.334  -0.446  -7.308  1.00  1.68           H  
ATOM    107  HD2 LYS A   8      11.061  -2.060  -7.456  1.00  2.46           H  
ATOM    108  HD3 LYS A   8      10.848  -1.155  -5.958  1.00  2.46           H  
ATOM    109  HE2 LYS A   8      11.472   0.933  -7.300  1.00  2.81           H  
ATOM    110  HE3 LYS A   8      11.279  -0.060  -8.745  1.00  3.03           H  
ATOM    111  HZ1 LYS A   8       9.158   0.612  -8.576  1.00  3.57           H  
ATOM    112  HZ2 LYS A   8       9.274   0.968  -6.919  1.00  3.65           H  
ATOM    113  HZ3 LYS A   8       9.036  -0.634  -7.432  1.00  3.54           H  
ATOM    114  N   CYS A   9      15.600  -1.921  -5.559  1.00  0.21           N  
ATOM    115  CA  CYS A   9      16.924  -1.532  -5.002  1.00  0.16           C  
ATOM    116  C   CYS A   9      17.428  -0.274  -5.726  1.00  0.20           C  
ATOM    117  O   CYS A   9      17.126  -0.052  -6.881  1.00  0.31           O  
ATOM    118  CB  CYS A   9      17.909  -2.690  -5.198  1.00  0.10           C  
ATOM    119  SG  CYS A   9      19.573  -2.189  -4.691  1.00  0.09           S  
ATOM    120  H   CYS A   9      15.174  -1.352  -6.223  1.00  0.24           H  
ATOM    121  HA  CYS A   9      16.816  -1.323  -3.955  1.00  0.20           H  
ATOM    122  HB2 CYS A   9      17.592  -3.532  -4.603  1.00  0.73           H  
ATOM    123  HB3 CYS A   9      17.923  -2.974  -6.240  1.00  0.72           H  
ATOM    124  N   GLU A  10      18.183   0.559  -5.052  1.00  0.19           N  
ATOM    125  CA  GLU A  10      18.689   1.807  -5.702  1.00  0.24           C  
ATOM    126  C   GLU A  10      20.155   2.028  -5.324  1.00  0.17           C  
ATOM    127  O   GLU A  10      21.052   1.748  -6.094  1.00  0.22           O  
ATOM    128  CB  GLU A  10      17.855   2.998  -5.224  1.00  0.37           C  
ATOM    129  CG  GLU A  10      16.379   2.744  -5.535  1.00  0.61           C  
ATOM    130  CD  GLU A  10      15.880   3.793  -6.531  1.00  1.30           C  
ATOM    131  OE1 GLU A  10      16.269   3.718  -7.685  1.00  1.92           O  
ATOM    132  OE2 GLU A  10      15.117   4.653  -6.122  1.00  1.96           O  
ATOM    133  H   GLU A  10      18.410   0.368  -4.118  1.00  0.21           H  
ATOM    134  HA  GLU A  10      18.606   1.721  -6.774  1.00  0.30           H  
ATOM    135  HB2 GLU A  10      17.981   3.121  -4.159  1.00  0.67           H  
ATOM    136  HB3 GLU A  10      18.182   3.893  -5.731  1.00  0.67           H  
ATOM    137  HG2 GLU A  10      16.266   1.758  -5.963  1.00  1.14           H  
ATOM    138  HG3 GLU A  10      15.803   2.808  -4.624  1.00  1.02           H  
ATOM    139  N   CYS A  11      20.408   2.513  -4.138  1.00  0.12           N  
ATOM    140  CA  CYS A  11      21.811   2.731  -3.706  1.00  0.12           C  
ATOM    141  C   CYS A  11      22.583   3.517  -4.763  1.00  0.17           C  
ATOM    142  O   CYS A  11      23.798   3.505  -4.793  1.00  0.28           O  
ATOM    143  CB  CYS A  11      22.445   1.376  -3.558  1.00  0.13           C  
ATOM    144  SG  CYS A  11      23.716   1.426  -2.272  1.00  0.17           S  
ATOM    145  H   CYS A  11      19.682   2.709  -3.527  1.00  0.15           H  
ATOM    146  HA  CYS A  11      21.834   3.252  -2.762  1.00  0.15           H  
ATOM    147  HB2 CYS A  11      21.679   0.664  -3.286  1.00  0.13           H  
ATOM    148  HB3 CYS A  11      22.874   1.101  -4.502  1.00  0.15           H  
ATOM    149  N   ALA A  12      21.898   4.187  -5.634  1.00  0.18           N  
ATOM    150  CA  ALA A  12      22.608   4.960  -6.695  1.00  0.26           C  
ATOM    151  C   ALA A  12      22.212   6.432  -6.609  1.00  0.22           C  
ATOM    152  O   ALA A  12      23.044   7.316  -6.653  1.00  0.33           O  
ATOM    153  CB  ALA A  12      22.224   4.410  -8.070  1.00  0.33           C  
ATOM    154  H   ALA A  12      20.919   4.177  -5.594  1.00  0.20           H  
ATOM    155  HA  ALA A  12      23.674   4.866  -6.556  1.00  0.34           H  
ATOM    156  HB1 ALA A  12      23.082   4.444  -8.724  1.00  1.05           H  
ATOM    157  HB2 ALA A  12      21.428   5.008  -8.488  1.00  1.08           H  
ATOM    158  HB3 ALA A  12      21.890   3.388  -7.968  1.00  1.08           H  
ATOM    159  N   GLU A  13      20.947   6.696  -6.483  1.00  0.14           N  
ATOM    160  CA  GLU A  13      20.477   8.097  -6.389  1.00  0.19           C  
ATOM    161  C   GLU A  13      20.279   8.443  -4.921  1.00  0.30           C  
ATOM    162  O   GLU A  13      19.398   9.196  -4.557  1.00  0.78           O  
ATOM    163  CB  GLU A  13      19.147   8.204  -7.119  1.00  0.26           C  
ATOM    164  CG  GLU A  13      18.632   9.633  -7.014  1.00  1.19           C  
ATOM    165  CD  GLU A  13      17.729   9.943  -8.210  1.00  1.45           C  
ATOM    166  OE1 GLU A  13      18.132   9.650  -9.323  1.00  1.83           O  
ATOM    167  OE2 GLU A  13      16.649  10.467  -7.991  1.00  2.01           O  
ATOM    168  H   GLU A  13      20.296   5.969  -6.446  1.00  0.15           H  
ATOM    169  HA  GLU A  13      21.200   8.763  -6.836  1.00  0.28           H  
ATOM    170  HB2 GLU A  13      19.287   7.937  -8.151  1.00  0.32           H  
ATOM    171  HB3 GLU A  13      18.434   7.531  -6.666  1.00  0.65           H  
ATOM    172  HG2 GLU A  13      18.072   9.741  -6.099  1.00  1.70           H  
ATOM    173  HG3 GLU A  13      19.469  10.313  -7.007  1.00  1.81           H  
ATOM    174  N   GLY A  14      21.069   7.859  -4.072  1.00  0.33           N  
ATOM    175  CA  GLY A  14      20.905   8.110  -2.616  1.00  0.38           C  
ATOM    176  C   GLY A  14      19.687   7.311  -2.149  1.00  0.49           C  
ATOM    177  O   GLY A  14      19.218   7.448  -1.037  1.00  0.70           O  
ATOM    178  H   GLY A  14      21.747   7.228  -4.394  1.00  0.65           H  
ATOM    179  HA2 GLY A  14      21.785   7.781  -2.085  1.00  0.45           H  
ATOM    180  HA3 GLY A  14      20.742   9.164  -2.441  1.00  0.75           H  
ATOM    181  N   GLY A  15      19.174   6.479  -3.018  1.00  0.53           N  
ATOM    182  CA  GLY A  15      17.986   5.653  -2.690  1.00  0.88           C  
ATOM    183  C   GLY A  15      18.057   5.120  -1.255  1.00  0.63           C  
ATOM    184  O   GLY A  15      17.047   4.784  -0.669  1.00  0.81           O  
ATOM    185  H   GLY A  15      19.573   6.401  -3.908  1.00  0.38           H  
ATOM    186  HA2 GLY A  15      17.094   6.249  -2.807  1.00  1.08           H  
ATOM    187  HA3 GLY A  15      17.951   4.817  -3.379  1.00  1.21           H  
ATOM    188  N   CYS A  16      19.227   5.003  -0.685  1.00  0.35           N  
ATOM    189  CA  CYS A  16      19.310   4.451   0.691  1.00  0.22           C  
ATOM    190  C   CYS A  16      19.655   5.529   1.711  1.00  0.30           C  
ATOM    191  O   CYS A  16      20.241   6.547   1.400  1.00  0.33           O  
ATOM    192  CB  CYS A  16      20.355   3.348   0.710  1.00  0.21           C  
ATOM    193  SG  CYS A  16      20.045   2.286  -0.715  1.00  0.16           S  
ATOM    194  H   CYS A  16      20.042   5.244  -1.165  1.00  0.42           H  
ATOM    195  HA  CYS A  16      18.360   4.030   0.950  1.00  0.36           H  
ATOM    196  HB2 CYS A  16      21.343   3.777   0.643  1.00  0.25           H  
ATOM    197  HB3 CYS A  16      20.265   2.779   1.617  1.00  0.28           H  
ATOM    198  N   LYS A  17      19.270   5.298   2.935  1.00  0.41           N  
ATOM    199  CA  LYS A  17      19.537   6.283   4.016  1.00  0.56           C  
ATOM    200  C   LYS A  17      20.216   5.576   5.191  1.00  0.50           C  
ATOM    201  O   LYS A  17      21.337   5.877   5.550  1.00  0.74           O  
ATOM    202  CB  LYS A  17      18.203   6.869   4.485  1.00  0.67           C  
ATOM    203  CG  LYS A  17      18.410   7.638   5.792  1.00  0.88           C  
ATOM    204  CD  LYS A  17      17.618   6.962   6.912  1.00  1.77           C  
ATOM    205  CE  LYS A  17      16.187   7.503   6.923  1.00  2.16           C  
ATOM    206  NZ  LYS A  17      15.448   6.931   8.084  1.00  2.92           N  
ATOM    207  H   LYS A  17      18.790   4.467   3.142  1.00  0.41           H  
ATOM    208  HA  LYS A  17      20.172   7.073   3.645  1.00  0.81           H  
ATOM    209  HB2 LYS A  17      17.819   7.540   3.730  1.00  1.02           H  
ATOM    210  HB3 LYS A  17      17.495   6.063   4.646  1.00  0.61           H  
ATOM    211  HG2 LYS A  17      19.460   7.641   6.045  1.00  1.34           H  
ATOM    212  HG3 LYS A  17      18.067   8.654   5.670  1.00  1.36           H  
ATOM    213  HD2 LYS A  17      17.598   5.895   6.746  1.00  2.38           H  
ATOM    214  HD3 LYS A  17      18.088   7.169   7.862  1.00  2.39           H  
ATOM    215  HE2 LYS A  17      16.209   8.579   7.005  1.00  2.53           H  
ATOM    216  HE3 LYS A  17      15.689   7.222   6.006  1.00  2.37           H  
ATOM    217  HZ1 LYS A  17      15.586   5.901   8.110  1.00  3.40           H  
ATOM    218  HZ2 LYS A  17      14.434   7.144   7.988  1.00  3.20           H  
ATOM    219  HZ3 LYS A  17      15.809   7.349   8.964  1.00  3.29           H  
ATOM    220  N   THR A  18      19.536   4.637   5.787  1.00  0.37           N  
ATOM    221  CA  THR A  18      20.107   3.897   6.938  1.00  0.60           C  
ATOM    222  C   THR A  18      19.301   2.627   7.152  1.00  0.74           C  
ATOM    223  O   THR A  18      19.720   1.533   6.829  1.00  0.94           O  
ATOM    224  CB  THR A  18      19.995   4.746   8.203  1.00  0.62           C  
ATOM    225  OG1 THR A  18      18.637   5.111   8.401  1.00  0.51           O  
ATOM    226  CG2 THR A  18      20.841   6.002   8.059  1.00  0.75           C  
ATOM    227  H   THR A  18      18.642   4.416   5.476  1.00  0.30           H  
ATOM    228  HA  THR A  18      21.133   3.656   6.741  1.00  0.78           H  
ATOM    229  HB  THR A  18      20.339   4.176   9.049  1.00  0.81           H  
ATOM    230  HG1 THR A  18      18.509   5.281   9.337  1.00  0.84           H  
ATOM    231 HG21 THR A  18      20.317   6.713   7.439  1.00  1.29           H  
ATOM    232 HG22 THR A  18      21.785   5.749   7.603  1.00  1.25           H  
ATOM    233 HG23 THR A  18      21.013   6.431   9.034  1.00  1.33           H  
ATOM    234  N   GLY A  19      18.136   2.784   7.704  1.00  0.76           N  
ATOM    235  CA  GLY A  19      17.252   1.615   7.969  1.00  1.07           C  
ATOM    236  C   GLY A  19      17.305   0.622   6.800  1.00  0.72           C  
ATOM    237  O   GLY A  19      17.020  -0.546   6.976  1.00  0.52           O  
ATOM    238  H   GLY A  19      17.842   3.687   7.954  1.00  0.64           H  
ATOM    239  HA2 GLY A  19      17.582   1.124   8.871  1.00  1.24           H  
ATOM    240  HA3 GLY A  19      16.237   1.958   8.100  1.00  1.67           H  
ATOM    241  N   CYS A  20      17.653   1.078   5.614  1.00  0.69           N  
ATOM    242  CA  CYS A  20      17.720   0.167   4.424  1.00  0.37           C  
ATOM    243  C   CYS A  20      18.074  -1.256   4.860  1.00  0.19           C  
ATOM    244  O   CYS A  20      19.168  -1.522   5.317  1.00  0.25           O  
ATOM    245  CB  CYS A  20      18.806   0.660   3.463  1.00  0.33           C  
ATOM    246  SG  CYS A  20      18.995  -0.524   2.102  1.00  0.21           S  
ATOM    247  H   CYS A  20      17.862   2.027   5.502  1.00  0.91           H  
ATOM    248  HA  CYS A  20      16.767   0.163   3.917  1.00  0.44           H  
ATOM    249  HB2 CYS A  20      18.523   1.624   3.065  1.00  1.16           H  
ATOM    250  HB3 CYS A  20      19.742   0.751   3.994  1.00  0.76           H  
ATOM    251  N   LYS A  21      17.162  -2.175   4.711  1.00  0.17           N  
ATOM    252  CA  LYS A  21      17.453  -3.578   5.104  1.00  0.20           C  
ATOM    253  C   LYS A  21      17.657  -4.407   3.838  1.00  0.17           C  
ATOM    254  O   LYS A  21      17.807  -5.612   3.888  1.00  0.17           O  
ATOM    255  CB  LYS A  21      16.280  -4.145   5.907  1.00  0.39           C  
ATOM    256  CG  LYS A  21      14.972  -3.551   5.385  1.00  1.05           C  
ATOM    257  CD  LYS A  21      13.829  -4.539   5.629  1.00  1.55           C  
ATOM    258  CE  LYS A  21      13.238  -4.977   4.288  1.00  2.28           C  
ATOM    259  NZ  LYS A  21      12.842  -6.411   4.364  1.00  2.93           N  
ATOM    260  H   LYS A  21      16.291  -1.944   4.328  1.00  0.29           H  
ATOM    261  HA  LYS A  21      18.349  -3.607   5.704  1.00  0.25           H  
ATOM    262  HB2 LYS A  21      16.256  -5.220   5.799  1.00  1.08           H  
ATOM    263  HB3 LYS A  21      16.401  -3.891   6.949  1.00  1.07           H  
ATOM    264  HG2 LYS A  21      14.767  -2.626   5.902  1.00  1.56           H  
ATOM    265  HG3 LYS A  21      15.063  -3.359   4.327  1.00  1.71           H  
ATOM    266  HD2 LYS A  21      14.206  -5.403   6.156  1.00  2.07           H  
ATOM    267  HD3 LYS A  21      13.062  -4.062   6.222  1.00  1.92           H  
ATOM    268  HE2 LYS A  21      12.370  -4.375   4.063  1.00  2.71           H  
ATOM    269  HE3 LYS A  21      13.977  -4.849   3.510  1.00  2.71           H  
ATOM    270  HZ1 LYS A  21      13.536  -6.991   3.852  1.00  3.35           H  
ATOM    271  HZ2 LYS A  21      11.902  -6.534   3.934  1.00  3.26           H  
ATOM    272  HZ3 LYS A  21      12.810  -6.710   5.359  1.00  3.26           H  
ATOM    273  N   CYS A  22      17.661  -3.766   2.700  1.00  0.17           N  
ATOM    274  CA  CYS A  22      17.852  -4.514   1.428  1.00  0.15           C  
ATOM    275  C   CYS A  22      19.290  -5.026   1.351  1.00  0.17           C  
ATOM    276  O   CYS A  22      20.222  -4.266   1.174  1.00  0.19           O  
ATOM    277  CB  CYS A  22      17.564  -3.579   0.250  1.00  0.14           C  
ATOM    278  SG  CYS A  22      18.183  -4.293  -1.303  1.00  0.09           S  
ATOM    279  H   CYS A  22      17.535  -2.790   2.682  1.00  0.20           H  
ATOM    280  HA  CYS A  22      17.168  -5.347   1.401  1.00  0.18           H  
ATOM    281  HB2 CYS A  22      16.498  -3.429   0.174  1.00  0.37           H  
ATOM    282  HB3 CYS A  22      18.047  -2.629   0.423  1.00  0.32           H  
ATOM    283  N   THR A  23      19.479  -6.311   1.476  1.00  0.23           N  
ATOM    284  CA  THR A  23      20.856  -6.871   1.404  1.00  0.29           C  
ATOM    285  C   THR A  23      21.206  -7.161  -0.057  1.00  0.29           C  
ATOM    286  O   THR A  23      21.843  -8.147  -0.370  1.00  0.55           O  
ATOM    287  CB  THR A  23      20.924  -8.169   2.213  1.00  0.36           C  
ATOM    288  OG1 THR A  23      19.607  -8.591   2.539  1.00  1.02           O  
ATOM    289  CG2 THR A  23      21.718  -7.930   3.498  1.00  1.03           C  
ATOM    290  H   THR A  23      18.713  -6.907   1.614  1.00  0.25           H  
ATOM    291  HA  THR A  23      21.558  -6.157   1.808  1.00  0.30           H  
ATOM    292  HB  THR A  23      21.414  -8.933   1.629  1.00  0.86           H  
ATOM    293  HG1 THR A  23      19.601  -9.551   2.563  1.00  1.41           H  
ATOM    294 HG21 THR A  23      21.048  -7.951   4.345  1.00  1.59           H  
ATOM    295 HG22 THR A  23      22.203  -6.966   3.447  1.00  1.59           H  
ATOM    296 HG23 THR A  23      22.464  -8.703   3.610  1.00  1.63           H  
ATOM    297  N   SER A  24      20.793  -6.307  -0.953  1.00  0.11           N  
ATOM    298  CA  SER A  24      21.098  -6.528  -2.392  1.00  0.10           C  
ATOM    299  C   SER A  24      22.063  -5.446  -2.876  1.00  0.10           C  
ATOM    300  O   SER A  24      22.794  -5.636  -3.828  1.00  0.13           O  
ATOM    301  CB  SER A  24      19.804  -6.460  -3.205  1.00  0.11           C  
ATOM    302  OG  SER A  24      18.844  -7.340  -2.640  1.00  0.30           O  
ATOM    303  H   SER A  24      20.282  -5.519  -0.680  1.00  0.26           H  
ATOM    304  HA  SER A  24      21.553  -7.499  -2.518  1.00  0.13           H  
ATOM    305  HB2 SER A  24      19.421  -5.450  -3.188  1.00  0.31           H  
ATOM    306  HB3 SER A  24      20.005  -6.752  -4.225  1.00  0.27           H  
ATOM    307  HG  SER A  24      18.054  -6.831  -2.444  1.00  0.92           H  
ATOM    308  N   CYS A  25      22.078  -4.310  -2.228  1.00  0.10           N  
ATOM    309  CA  CYS A  25      23.007  -3.231  -2.666  1.00  0.12           C  
ATOM    310  C   CYS A  25      24.271  -3.259  -1.820  1.00  0.16           C  
ATOM    311  O   CYS A  25      24.273  -3.701  -0.688  1.00  0.17           O  
ATOM    312  CB  CYS A  25      22.352  -1.845  -2.528  1.00  0.11           C  
ATOM    313  SG  CYS A  25      21.388  -1.722  -0.988  1.00  0.10           S  
ATOM    314  H   CYS A  25      21.486  -4.173  -1.460  1.00  0.11           H  
ATOM    315  HA  CYS A  25      23.277  -3.393  -3.699  1.00  0.13           H  
ATOM    316  HB2 CYS A  25      23.128  -1.090  -2.523  1.00  0.14           H  
ATOM    317  HB3 CYS A  25      21.702  -1.677  -3.371  1.00  0.10           H  
ATOM    318  N   ARG A  26      25.340  -2.752  -2.358  1.00  0.20           N  
ATOM    319  CA  ARG A  26      26.608  -2.701  -1.590  1.00  0.25           C  
ATOM    320  C   ARG A  26      26.477  -1.523  -0.638  1.00  0.24           C  
ATOM    321  O   ARG A  26      27.185  -0.540  -0.727  1.00  0.27           O  
ATOM    322  CB  ARG A  26      27.764  -2.465  -2.557  1.00  0.33           C  
ATOM    323  CG  ARG A  26      27.526  -1.152  -3.306  1.00  0.36           C  
ATOM    324  CD  ARG A  26      28.799  -0.304  -3.270  1.00  1.03           C  
ATOM    325  NE  ARG A  26      29.636  -0.613  -4.463  1.00  1.19           N  
ATOM    326  CZ  ARG A  26      30.125   0.358  -5.185  1.00  1.80           C  
ATOM    327  NH1 ARG A  26      29.398   0.907  -6.120  1.00  2.50           N  
ATOM    328  NH2 ARG A  26      31.342   0.779  -4.973  1.00  2.47           N  
ATOM    329  H   ARG A  26      25.299  -2.378  -3.263  1.00  0.21           H  
ATOM    330  HA  ARG A  26      26.753  -3.618  -1.039  1.00  0.27           H  
ATOM    331  HB2 ARG A  26      28.691  -2.407  -2.008  1.00  0.40           H  
ATOM    332  HB3 ARG A  26      27.810  -3.280  -3.264  1.00  0.33           H  
ATOM    333  HG2 ARG A  26      27.264  -1.366  -4.332  1.00  0.69           H  
ATOM    334  HG3 ARG A  26      26.717  -0.611  -2.835  1.00  0.39           H  
ATOM    335  HD2 ARG A  26      28.534   0.743  -3.276  1.00  1.73           H  
ATOM    336  HD3 ARG A  26      29.356  -0.530  -2.372  1.00  1.64           H  
ATOM    337  HE  ARG A  26      29.818  -1.544  -4.706  1.00  1.57           H  
ATOM    338 HH11 ARG A  26      28.466   0.584  -6.282  1.00  2.75           H  
ATOM    339 HH12 ARG A  26      29.773   1.651  -6.673  1.00  3.14           H  
ATOM    340 HH21 ARG A  26      31.899   0.358  -4.257  1.00  2.71           H  
ATOM    341 HH22 ARG A  26      31.717   1.523  -5.526  1.00  3.11           H  
ATOM    342  N   CYS A  27      25.517  -1.605   0.235  1.00  0.21           N  
ATOM    343  CA  CYS A  27      25.247  -0.488   1.168  1.00  0.22           C  
ATOM    344  C   CYS A  27      26.243  -0.527   2.328  1.00  0.26           C  
ATOM    345  O   CYS A  27      26.925   0.439   2.605  1.00  0.34           O  
ATOM    346  CB  CYS A  27      23.834  -0.662   1.697  1.00  0.20           C  
ATOM    347  SG  CYS A  27      23.043   0.950   1.842  1.00  0.21           S  
ATOM    348  H   CYS A  27      24.937  -2.394   0.245  1.00  0.20           H  
ATOM    349  HA  CYS A  27      25.320   0.449   0.655  1.00  0.22           H  
ATOM    350  HB2 CYS A  27      23.267  -1.287   1.023  1.00  0.17           H  
ATOM    351  HB3 CYS A  27      23.882  -1.123   2.662  1.00  0.22           H  
ATOM    352  N   ALA A  28      26.334  -1.637   3.008  1.00  0.33           N  
ATOM    353  CA  ALA A  28      27.286  -1.737   4.149  1.00  0.37           C  
ATOM    354  C   ALA A  28      28.265  -2.886   3.897  1.00  1.34           C  
ATOM    355  O   ALA A  28      29.343  -2.855   4.468  1.00  2.14           O  
ATOM    356  CB  ALA A  28      26.510  -2.002   5.440  1.00  1.32           C  
ATOM    357  OXT ALA A  28      27.920  -3.776   3.138  1.00  2.05           O  
ATOM    358  H   ALA A  28      25.775  -2.406   2.767  1.00  0.43           H  
ATOM    359  HA  ALA A  28      27.834  -0.811   4.242  1.00  0.97           H  
ATOM    360  HB1 ALA A  28      26.230  -1.062   5.891  1.00  1.86           H  
ATOM    361  HB2 ALA A  28      27.131  -2.560   6.125  1.00  1.94           H  
ATOM    362  HB3 ALA A  28      25.620  -2.572   5.214  1.00  1.92           H  
TER     363      ALA A  28                                                      
HETATM  364 CD    CD A  29      19.126  -2.084  -2.176  1.00  0.07          CD  
HETATM  365 CD    CD A  30      18.096   1.019   0.281  1.00  0.16          CD  
HETATM  366 CD    CD A  31      22.033   0.730  -0.502  1.00  0.15          CD  
CONECT   43  365                                                                
CONECT   53  364  365                                                           
CONECT  119  364                                                                
CONECT  144  366                                                                
CONECT  193  365  366                                                           
CONECT  246  365                                                                
CONECT  278  364                                                                
CONECT  313  364  366                                                           
CONECT  347  366                                                                
CONECT  364   53  119  278  313                                                 
CONECT  365   43   53  193  246                                                 
CONECT  366  144  193  313  347                                                 
MASTER      173    0    3    0    0    0    3    6  191    1   12    3          
END