HEADER    METAL BINDING PROTEIN                   16-MAY-02   1J5L              
TITLE     NMR STRUCTURE OF THE ISOLATED BETA_C DOMAIN OF LOBSTER                
TITLE    2 METALLOTHIONEIN-1                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN-1;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: BETA_C DOMAIN (RESIDUES 29-58);                            
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    BETA-DOMAIN, METALLOPROTEIN, CADMIUM-SULFUR-CLUSTER, METAL BINDING    
KEYWDS   2 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.MUNOZ,F.H.FORSTERLING,C.F.SHAW III,D.H.PETERING                     
REVDAT   6   27-DEC-23 1J5L    1       REMARK LINK                              
REVDAT   5   05-FEB-20 1J5L    1       REMARK ATOM                              
REVDAT   4   24-FEB-09 1J5L    1       VERSN                                    
REVDAT   3   01-APR-03 1J5L    1       JRNL                                     
REVDAT   2   23-DEC-02 1J5L    1       EXPDTA JRNL   REMARK                     
REVDAT   1   22-MAY-02 1J5L    0                                                
SPRSDE     22-MAY-02 1J5L      1HZQ                                             
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 INSTRUMENTS (XWINNMR), AXEL BRUNGER (X        
REMARK   3                 -PLOR)                                               
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 228 NOE BASED   
REMARK   3  DISTANCE RESTRAINTS, 20 DIHEDRAL ANGLE RESTRAINTS AND 33 METAL      
REMARK   3  CLUSTER RESTRAINTS DERIVED FROM 113CD-HSQC-TOCSY EXPERIMENTS.       
REMARK   4                                                                      
REMARK   4 1J5L 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_1000001640.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 5MM TRIS                           
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2-3MM 113CD3-MT-BETA_C, 5MM D      
REMARK 210                                   -TRIS BUFFER; 2-3MM 113CD3-MT-     
REMARK 210                                   BETA_C, 5MM D-TRIS BUFFER          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY; 2D NOESY; 2D TOCSY; 2D   
REMARK 210                                   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: 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 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   3     -146.15    -80.59                                   
REMARK 500    LYS A   5       42.72    -94.76                                   
REMARK 500    SER A   8      -86.23    173.39                                   
REMARK 500    CYS A  12       93.27     32.33                                   
REMARK 500    SER A  14      -58.57   -153.94                                   
REMARK 500    LYS A  15      -44.02   -164.01                                   
REMARK 500    CYS A  18      -74.42    -90.21                                   
REMARK 500    SER A  23       49.85    -78.46                                   
REMARK 500    LYS A  24      179.93    176.18                                   
REMARK 500    CYS A  26      107.46    -42.15                                   
REMARK 500    SER A  27       72.50    -60.20                                   
REMARK 500    CYS A  28      -24.95    178.55                                   
REMARK 500    CYS A  29     -160.66    -72.95                                   
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  34  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   3   SG                                                     
REMARK 620 2 CYS A   6   SG  108.4                                              
REMARK 620 3 CYS A  22   SG  110.2 104.9                                        
REMARK 620 4 CYS A  26   SG  108.2 114.6 110.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  33  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   6   SG                                                     
REMARK 620 2 CYS A  10   SG  107.6                                              
REMARK 620 3 CYS A  28   SG  106.7 111.5                                        
REMARK 620 4 CYS A  29   SG  108.7 112.7 109.5                                  
REMARK 620 5 CYS A  29   N   169.8  73.6  81.8  62.3                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  32  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  12   SG                                                     
REMARK 620 2 CYS A  18   SG  110.4                                              
REMARK 620 3 CYS A  22   SG  108.4 109.0                                        
REMARK 620 4 CYS A  29   SG  107.7 109.4 111.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 32                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 33                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 34                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4754   RELATED DB: BMRB                                  
REMARK 900 CONTAINS 1H CHEMICAL SHIFTS AND 3JHNHA AND 3JHAHB COUPLING CONSTANTS 
REMARK 900 RELATED ID: 1J5M   RELATED DB: PDB                                   
REMARK 900 CONTAINS THE MINIMIZED AVERAGE STRUCTURE OF THE BETA_N DOMAIN OF     
REMARK 900 THIS PROTEIN                                                         
DBREF  1J5L A    2    31  UNP    P29499   MT1_HOMAM       29     58             
SEQRES   1 A   30  PRO CYS GLU LYS CYS THR SER GLY CYS LYS CYS PRO SER          
SEQRES   2 A   30  LYS ASP GLU CYS ALA LYS THR CYS SER LYS PRO CYS SER          
SEQRES   3 A   30  CYS CYS PRO THR                                              
HET     CD  A  32       1                                                       
HET     CD  A  33       1                                                       
HET     CD  A  34       1                                                       
HETNAM      CD CADMIUM ION                                                      
FORMUL   2   CD    3(CD 2+)                                                     
HELIX    1   1 CYS A    3  THR A    7  5                                   5    
HELIX    2   2 GLU A   17  CYS A   22  1                                   6    
LINK         SG  CYS A   3                CD    CD A  34     1555   1555  2.55  
LINK         SG  CYS A   6                CD    CD A  33     1555   1555  2.55  
LINK         SG  CYS A   6                CD    CD A  34     1555   1555  2.54  
LINK         SG  CYS A  10                CD    CD A  33     1555   1555  2.55  
LINK         SG  CYS A  12                CD    CD A  32     1555   1555  2.55  
LINK         SG  CYS A  18                CD    CD A  32     1555   1555  2.54  
LINK         SG  CYS A  22                CD    CD A  32     1555   1555  2.55  
LINK         SG  CYS A  22                CD    CD A  34     1555   1555  2.54  
LINK         SG  CYS A  26                CD    CD A  34     1555   1555  2.57  
LINK         SG  CYS A  28                CD    CD A  33     1555   1555  2.55  
LINK         SG  CYS A  29                CD    CD A  32     1555   1555  2.54  
LINK         SG  CYS A  29                CD    CD A  33     1555   1555  2.57  
LINK         N   CYS A  29                CD    CD A  33     1555   1555  2.89  
SITE     1 AC1  4 CYS A  12  CYS A  18  CYS A  22  CYS A  29                    
SITE     1 AC2  5 CYS A   6  CYS A  10  CYS A  26  CYS A  28                    
SITE     2 AC2  5 CYS A  29                                                     
SITE     1 AC3  4 CYS A   3  CYS A   6  CYS A  22  CYS A  26                    
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      19.407   6.873  -4.270  1.00  0.91           N  
ATOM      2  CA  PRO A   2      18.831   5.512  -4.440  1.00  0.75           C  
ATOM      3  C   PRO A   2      19.552   4.769  -5.568  1.00  0.65           C  
ATOM      4  O   PRO A   2      19.563   5.204  -6.703  1.00  0.83           O  
ATOM      5  CB  PRO A   2      17.373   5.769  -4.807  1.00  0.95           C  
ATOM      6  CG  PRO A   2      17.366   7.133  -5.409  1.00  1.18           C  
ATOM      7  CD  PRO A   2      18.475   7.907  -4.748  1.00  1.17           C  
ATOM      8  H2  PRO A   2      20.295   6.937  -4.808  1.00  0.86           H  
ATOM      9  H3  PRO A   2      19.607   7.035  -3.262  1.00  0.94           H  
ATOM     10  HA  PRO A   2      18.889   4.956  -3.519  1.00  0.68           H  
ATOM     11  HB2 PRO A   2      17.032   5.039  -5.525  1.00  1.17           H  
ATOM     12  HB3 PRO A   2      16.754   5.746  -3.922  1.00  1.42           H  
ATOM     13  HG2 PRO A   2      17.544   7.068  -6.472  1.00  1.57           H  
ATOM     14  HG3 PRO A   2      16.418   7.615  -5.221  1.00  1.54           H  
ATOM     15  HD2 PRO A   2      18.963   8.552  -5.464  1.00  1.54           H  
ATOM     16  HD3 PRO A   2      18.092   8.482  -3.919  1.00  1.53           H  
ATOM     17  N   CYS A   3      20.160   3.654  -5.265  1.00  0.49           N  
ATOM     18  CA  CYS A   3      20.882   2.894  -6.313  1.00  0.55           C  
ATOM     19  C   CYS A   3      19.904   2.057  -7.142  1.00  0.71           C  
ATOM     20  O   CYS A   3      18.777   2.447  -7.378  1.00  1.61           O  
ATOM     21  CB  CYS A   3      21.875   2.000  -5.554  1.00  0.35           C  
ATOM     22  SG  CYS A   3      21.026   0.553  -4.861  1.00  0.13           S  
ATOM     23  H   CYS A   3      20.148   3.324  -4.354  1.00  0.48           H  
ATOM     24  HA  CYS A   3      21.419   3.574  -6.943  1.00  0.72           H  
ATOM     25  HB2 CYS A   3      22.646   1.668  -6.232  1.00  0.52           H  
ATOM     26  HB3 CYS A   3      22.325   2.568  -4.753  1.00  0.31           H  
ATOM     27  N   GLU A   4      20.333   0.911  -7.584  1.00  0.32           N  
ATOM     28  CA  GLU A   4      19.447   0.034  -8.401  1.00  0.32           C  
ATOM     29  C   GLU A   4      18.103  -0.186  -7.712  1.00  0.27           C  
ATOM     30  O   GLU A   4      17.056   0.163  -8.220  1.00  0.32           O  
ATOM     31  CB  GLU A   4      20.187  -1.300  -8.472  1.00  0.35           C  
ATOM     32  CG  GLU A   4      19.905  -1.971  -9.818  1.00  1.04           C  
ATOM     33  CD  GLU A   4      19.079  -3.240  -9.592  1.00  1.59           C  
ATOM     34  OE1 GLU A   4      19.585  -4.145  -8.949  1.00  2.30           O  
ATOM     35  OE2 GLU A   4      17.956  -3.284 -10.066  1.00  2.18           O  
ATOM     36  H   GLU A   4      21.247   0.623  -7.380  1.00  0.98           H  
ATOM     37  HA  GLU A   4      19.312   0.436  -9.392  1.00  0.37           H  
ATOM     38  HB2 GLU A   4      21.249  -1.130  -8.369  1.00  1.09           H  
ATOM     39  HB3 GLU A   4      19.841  -1.943  -7.665  1.00  0.33           H  
ATOM     40  HG2 GLU A   4      19.353  -1.291 -10.450  1.00  1.72           H  
ATOM     41  HG3 GLU A   4      20.839  -2.229 -10.294  1.00  1.70           H  
ATOM     42  N   LYS A   5      18.141  -0.817  -6.579  1.00  0.24           N  
ATOM     43  CA  LYS A   5      16.897  -1.143  -5.843  1.00  0.25           C  
ATOM     44  C   LYS A   5      16.552  -0.089  -4.784  1.00  0.23           C  
ATOM     45  O   LYS A   5      16.146  -0.418  -3.687  1.00  0.33           O  
ATOM     46  CB  LYS A   5      17.244  -2.472  -5.196  1.00  0.30           C  
ATOM     47  CG  LYS A   5      16.473  -3.589  -5.893  1.00  0.54           C  
ATOM     48  CD  LYS A   5      16.431  -4.824  -4.991  1.00  1.18           C  
ATOM     49  CE  LYS A   5      15.654  -4.496  -3.714  1.00  1.70           C  
ATOM     50  NZ  LYS A   5      15.378  -5.819  -3.085  1.00  2.39           N  
ATOM     51  H   LYS A   5      18.999  -1.117  -6.223  1.00  0.25           H  
ATOM     52  HA  LYS A   5      16.077  -1.279  -6.522  1.00  0.29           H  
ATOM     53  HB2 LYS A   5      18.309  -2.648  -5.309  1.00  0.34           H  
ATOM     54  HB3 LYS A   5      16.986  -2.445  -4.151  1.00  0.32           H  
ATOM     55  HG2 LYS A   5      15.466  -3.257  -6.099  1.00  1.18           H  
ATOM     56  HG3 LYS A   5      16.968  -3.836  -6.821  1.00  1.09           H  
ATOM     57  HD2 LYS A   5      15.942  -5.634  -5.512  1.00  1.81           H  
ATOM     58  HD3 LYS A   5      17.438  -5.117  -4.734  1.00  1.71           H  
ATOM     59  HE2 LYS A   5      16.253  -3.885  -3.056  1.00  2.16           H  
ATOM     60  HE3 LYS A   5      14.728  -3.995  -3.956  1.00  2.10           H  
ATOM     61  HZ1 LYS A   5      16.209  -6.125  -2.541  1.00  2.83           H  
ATOM     62  HZ2 LYS A   5      15.172  -6.519  -3.827  1.00  2.78           H  
ATOM     63  HZ3 LYS A   5      14.561  -5.737  -2.448  1.00  2.78           H  
ATOM     64  N   CYS A   6      16.685   1.171  -5.098  1.00  0.15           N  
ATOM     65  CA  CYS A   6      16.333   2.218  -4.089  1.00  0.14           C  
ATOM     66  C   CYS A   6      15.579   3.376  -4.745  1.00  0.18           C  
ATOM     67  O   CYS A   6      15.211   4.331  -4.091  1.00  0.41           O  
ATOM     68  CB  CYS A   6      17.661   2.694  -3.501  1.00  0.12           C  
ATOM     69  SG  CYS A   6      18.117   1.608  -2.129  1.00  0.12           S  
ATOM     70  H   CYS A   6      17.003   1.427  -5.989  1.00  0.20           H  
ATOM     71  HA  CYS A   6      15.723   1.784  -3.311  1.00  0.18           H  
ATOM     72  HB2 CYS A   6      18.426   2.658  -4.262  1.00  0.12           H  
ATOM     73  HB3 CYS A   6      17.555   3.707  -3.141  1.00  0.13           H  
ATOM     74  N   THR A   7      15.322   3.296  -6.020  1.00  0.36           N  
ATOM     75  CA  THR A   7      14.565   4.392  -6.686  1.00  0.42           C  
ATOM     76  C   THR A   7      13.076   4.228  -6.373  1.00  0.53           C  
ATOM     77  O   THR A   7      12.246   4.171  -7.258  1.00  0.96           O  
ATOM     78  CB  THR A   7      14.828   4.209  -8.182  1.00  0.42           C  
ATOM     79  OG1 THR A   7      14.249   2.986  -8.616  1.00  1.35           O  
ATOM     80  CG2 THR A   7      16.335   4.182  -8.438  1.00  1.49           C  
ATOM     81  H   THR A   7      15.606   2.512  -6.533  1.00  0.57           H  
ATOM     82  HA  THR A   7      14.921   5.356  -6.358  1.00  0.51           H  
ATOM     83  HB  THR A   7      14.389   5.030  -8.728  1.00  1.07           H  
ATOM     84  HG1 THR A   7      14.203   2.395  -7.861  1.00  1.81           H  
ATOM     85 HG21 THR A   7      16.679   3.158  -8.451  1.00  2.13           H  
ATOM     86 HG22 THR A   7      16.843   4.723  -7.654  1.00  2.00           H  
ATOM     87 HG23 THR A   7      16.547   4.645  -9.391  1.00  2.08           H  
ATOM     88  N   SER A   8      12.739   4.132  -5.114  1.00  0.58           N  
ATOM     89  CA  SER A   8      11.313   3.947  -4.731  1.00  0.68           C  
ATOM     90  C   SER A   8      11.207   3.700  -3.223  1.00  0.67           C  
ATOM     91  O   SER A   8      11.012   4.610  -2.443  1.00  0.98           O  
ATOM     92  CB  SER A   8      10.874   2.704  -5.501  1.00  0.74           C  
ATOM     93  OG  SER A   8       9.686   2.183  -4.923  1.00  1.38           O  
ATOM     94  H   SER A   8      13.428   4.168  -4.420  1.00  0.87           H  
ATOM     95  HA  SER A   8      10.721   4.799  -5.026  1.00  0.80           H  
ATOM     96  HB2 SER A   8      10.689   2.964  -6.532  1.00  1.23           H  
ATOM     97  HB3 SER A   8      11.658   1.959  -5.449  1.00  0.72           H  
ATOM     98  HG  SER A   8       9.189   1.739  -5.614  1.00  1.77           H  
ATOM     99  N   GLY A   9      11.342   2.467  -2.813  1.00  0.64           N  
ATOM    100  CA  GLY A   9      11.260   2.141  -1.362  1.00  0.65           C  
ATOM    101  C   GLY A   9      12.291   1.057  -1.042  1.00  0.60           C  
ATOM    102  O   GLY A   9      12.383   0.057  -1.727  1.00  1.45           O  
ATOM    103  H   GLY A   9      11.504   1.752  -3.463  1.00  0.85           H  
ATOM    104  HA2 GLY A   9      11.472   3.026  -0.779  1.00  1.14           H  
ATOM    105  HA3 GLY A   9      10.270   1.781  -1.126  1.00  1.11           H  
ATOM    106  N   CYS A  10      13.075   1.246  -0.018  1.00  0.44           N  
ATOM    107  CA  CYS A  10      14.105   0.223   0.325  1.00  0.36           C  
ATOM    108  C   CYS A  10      13.992  -0.195   1.789  1.00  0.36           C  
ATOM    109  O   CYS A  10      13.711   0.607   2.658  1.00  0.42           O  
ATOM    110  CB  CYS A  10      15.444   0.913   0.071  1.00  0.59           C  
ATOM    111  SG  CYS A  10      15.453   2.546   0.856  1.00  0.19           S  
ATOM    112  H   CYS A  10      12.994   2.062   0.520  1.00  1.13           H  
ATOM    113  HA  CYS A  10      14.011  -0.638  -0.316  1.00  0.50           H  
ATOM    114  HB2 CYS A  10      16.241   0.312   0.484  1.00  1.01           H  
ATOM    115  HB3 CYS A  10      15.594   1.024  -0.993  1.00  0.95           H  
ATOM    116  N   LYS A  11      14.226  -1.447   2.069  1.00  0.37           N  
ATOM    117  CA  LYS A  11      14.151  -1.921   3.476  1.00  0.38           C  
ATOM    118  C   LYS A  11      15.441  -1.545   4.203  1.00  0.35           C  
ATOM    119  O   LYS A  11      15.421  -0.805   5.165  1.00  0.62           O  
ATOM    120  CB  LYS A  11      14.008  -3.440   3.380  1.00  0.45           C  
ATOM    121  CG  LYS A  11      12.608  -3.789   2.871  1.00  1.12           C  
ATOM    122  CD  LYS A  11      12.107  -5.049   3.579  1.00  1.58           C  
ATOM    123  CE  LYS A  11      10.757  -4.761   4.239  1.00  2.25           C  
ATOM    124  NZ  LYS A  11       9.886  -4.278   3.130  1.00  2.89           N  
ATOM    125  H   LYS A  11      14.461  -2.073   1.353  1.00  0.40           H  
ATOM    126  HA  LYS A  11      13.294  -1.496   3.976  1.00  0.40           H  
ATOM    127  HB2 LYS A  11      14.747  -3.828   2.695  1.00  0.59           H  
ATOM    128  HB3 LYS A  11      14.156  -3.878   4.356  1.00  1.08           H  
ATOM    129  HG2 LYS A  11      11.935  -2.970   3.076  1.00  1.66           H  
ATOM    130  HG3 LYS A  11      12.646  -3.966   1.806  1.00  1.79           H  
ATOM    131  HD2 LYS A  11      11.994  -5.846   2.859  1.00  2.02           H  
ATOM    132  HD3 LYS A  11      12.821  -5.345   4.334  1.00  2.07           H  
ATOM    133  HE2 LYS A  11      10.350  -5.664   4.671  1.00  2.58           H  
ATOM    134  HE3 LYS A  11      10.863  -3.997   4.994  1.00  2.76           H  
ATOM    135  HZ1 LYS A  11      10.197  -4.703   2.234  1.00  3.27           H  
ATOM    136  HZ2 LYS A  11       9.952  -3.242   3.065  1.00  3.31           H  
ATOM    137  HZ3 LYS A  11       8.901  -4.552   3.318  1.00  3.16           H  
ATOM    138  N   CYS A  12      16.561  -2.037   3.726  1.00  0.25           N  
ATOM    139  CA  CYS A  12      17.878  -1.709   4.359  1.00  0.18           C  
ATOM    140  C   CYS A  12      17.712  -1.511   5.869  1.00  0.22           C  
ATOM    141  O   CYS A  12      17.392  -0.436   6.324  1.00  0.24           O  
ATOM    142  CB  CYS A  12      18.316  -0.420   3.653  1.00  0.12           C  
ATOM    143  SG  CYS A  12      18.562  -0.805   1.899  1.00  0.18           S  
ATOM    144  H   CYS A  12      16.534  -2.615   2.934  1.00  0.44           H  
ATOM    145  HA  CYS A  12      18.595  -2.493   4.164  1.00  0.19           H  
ATOM    146  HB2 CYS A  12      17.541   0.326   3.754  1.00  0.19           H  
ATOM    147  HB3 CYS A  12      19.239  -0.046   4.079  1.00  0.09           H  
ATOM    148  N   PRO A  13      17.921  -2.576   6.593  1.00  0.25           N  
ATOM    149  CA  PRO A  13      17.781  -2.536   8.070  1.00  0.30           C  
ATOM    150  C   PRO A  13      18.951  -1.779   8.701  1.00  0.31           C  
ATOM    151  O   PRO A  13      18.771  -0.954   9.576  1.00  0.38           O  
ATOM    152  CB  PRO A  13      17.808  -4.007   8.472  1.00  0.34           C  
ATOM    153  CG  PRO A  13      18.549  -4.696   7.370  1.00  0.31           C  
ATOM    154  CD  PRO A  13      18.304  -3.908   6.109  1.00  0.26           C  
ATOM    155  HA  PRO A  13      16.841  -2.092   8.353  1.00  0.32           H  
ATOM    156  HB2 PRO A  13      18.329  -4.130   9.410  1.00  0.85           H  
ATOM    157  HB3 PRO A  13      16.802  -4.394   8.547  1.00  1.06           H  
ATOM    158  HG2 PRO A  13      19.606  -4.715   7.593  1.00  0.95           H  
ATOM    159  HG3 PRO A  13      18.180  -5.704   7.252  1.00  0.92           H  
ATOM    160  HD2 PRO A  13      19.205  -3.851   5.517  1.00  0.90           H  
ATOM    161  HD3 PRO A  13      17.500  -4.348   5.538  1.00  0.93           H  
ATOM    162  N   SER A  14      20.150  -2.053   8.267  1.00  0.28           N  
ATOM    163  CA  SER A  14      21.329  -1.349   8.845  1.00  0.31           C  
ATOM    164  C   SER A  14      22.471  -1.313   7.828  1.00  0.31           C  
ATOM    165  O   SER A  14      22.943  -0.260   7.448  1.00  0.42           O  
ATOM    166  CB  SER A  14      21.725  -2.177  10.068  1.00  0.34           C  
ATOM    167  OG  SER A  14      20.580  -2.843  10.579  1.00  1.34           O  
ATOM    168  H   SER A  14      20.274  -2.721   7.561  1.00  0.31           H  
ATOM    169  HA  SER A  14      21.061  -0.349   9.147  1.00  0.33           H  
ATOM    170  HB2 SER A  14      22.469  -2.906   9.783  1.00  1.06           H  
ATOM    171  HB3 SER A  14      22.131  -1.525  10.827  1.00  0.89           H  
ATOM    172  HG  SER A  14      20.068  -2.208  11.085  1.00  1.70           H  
ATOM    173  N   LYS A  15      22.919  -2.455   7.381  1.00  0.29           N  
ATOM    174  CA  LYS A  15      24.029  -2.476   6.388  1.00  0.30           C  
ATOM    175  C   LYS A  15      24.125  -3.850   5.716  1.00  0.29           C  
ATOM    176  O   LYS A  15      24.291  -3.954   4.517  1.00  0.43           O  
ATOM    177  CB  LYS A  15      25.292  -2.188   7.200  1.00  0.38           C  
ATOM    178  CG  LYS A  15      25.485  -0.676   7.325  1.00  1.21           C  
ATOM    179  CD  LYS A  15      26.969  -0.367   7.533  1.00  1.59           C  
ATOM    180  CE  LYS A  15      27.414   0.701   6.532  1.00  2.30           C  
ATOM    181  NZ  LYS A  15      28.900   0.595   6.496  1.00  2.95           N  
ATOM    182  H   LYS A  15      22.525  -3.295   7.697  1.00  0.35           H  
ATOM    183  HA  LYS A  15      23.883  -1.705   5.650  1.00  0.29           H  
ATOM    184  HB2 LYS A  15      25.193  -2.621   8.184  1.00  1.12           H  
ATOM    185  HB3 LYS A  15      26.147  -2.620   6.701  1.00  1.00           H  
ATOM    186  HG2 LYS A  15      25.141  -0.193   6.422  1.00  1.80           H  
ATOM    187  HG3 LYS A  15      24.919  -0.309   8.168  1.00  1.90           H  
ATOM    188  HD2 LYS A  15      27.124  -0.004   8.539  1.00  1.97           H  
ATOM    189  HD3 LYS A  15      27.549  -1.266   7.383  1.00  2.05           H  
ATOM    190  HE2 LYS A  15      26.999   0.496   5.556  1.00  2.71           H  
ATOM    191  HE3 LYS A  15      27.115   1.681   6.870  1.00  2.71           H  
ATOM    192  HZ1 LYS A  15      29.179  -0.163   5.842  1.00  3.20           H  
ATOM    193  HZ2 LYS A  15      29.255   0.379   7.451  1.00  3.35           H  
ATOM    194  HZ3 LYS A  15      29.304   1.496   6.171  1.00  3.39           H  
ATOM    195  N   ASP A  16      24.028  -4.903   6.480  1.00  0.33           N  
ATOM    196  CA  ASP A  16      24.120  -6.269   5.885  1.00  0.32           C  
ATOM    197  C   ASP A  16      23.330  -6.340   4.574  1.00  0.28           C  
ATOM    198  O   ASP A  16      23.763  -6.940   3.611  1.00  0.50           O  
ATOM    199  CB  ASP A  16      23.504  -7.198   6.932  1.00  0.39           C  
ATOM    200  CG  ASP A  16      23.881  -8.646   6.614  1.00  1.16           C  
ATOM    201  OD1 ASP A  16      25.028  -9.001   6.835  1.00  1.88           O  
ATOM    202  OD2 ASP A  16      23.018  -9.376   6.156  1.00  1.85           O  
ATOM    203  H   ASP A  16      23.899  -4.798   7.445  1.00  0.48           H  
ATOM    204  HA  ASP A  16      25.151  -6.537   5.718  1.00  0.37           H  
ATOM    205  HB2 ASP A  16      23.877  -6.935   7.911  1.00  1.03           H  
ATOM    206  HB3 ASP A  16      22.429  -7.094   6.917  1.00  1.05           H  
ATOM    207  N   GLU A  17      22.176  -5.734   4.531  1.00  0.22           N  
ATOM    208  CA  GLU A  17      21.359  -5.771   3.281  1.00  0.28           C  
ATOM    209  C   GLU A  17      21.493  -4.447   2.544  1.00  0.26           C  
ATOM    210  O   GLU A  17      21.218  -4.339   1.366  1.00  0.39           O  
ATOM    211  CB  GLU A  17      19.909  -5.981   3.732  1.00  0.42           C  
ATOM    212  CG  GLU A  17      19.869  -6.912   4.945  1.00  1.24           C  
ATOM    213  CD  GLU A  17      20.301  -8.319   4.524  1.00  1.97           C  
ATOM    214  OE1 GLU A  17      21.496  -8.551   4.443  1.00  2.70           O  
ATOM    215  OE2 GLU A  17      19.429  -9.139   4.291  1.00  2.48           O  
ATOM    216  H   GLU A  17      21.843  -5.256   5.319  1.00  0.34           H  
ATOM    217  HA  GLU A  17      21.671  -6.578   2.654  1.00  0.32           H  
ATOM    218  HB2 GLU A  17      19.475  -5.029   3.998  1.00  1.21           H  
ATOM    219  HB3 GLU A  17      19.343  -6.420   2.924  1.00  1.16           H  
ATOM    220  HG2 GLU A  17      20.543  -6.539   5.701  1.00  1.72           H  
ATOM    221  HG3 GLU A  17      18.865  -6.946   5.341  1.00  1.71           H  
ATOM    222  N   CYS A  18      21.902  -3.439   3.244  1.00  0.17           N  
ATOM    223  CA  CYS A  18      22.050  -2.101   2.619  1.00  0.14           C  
ATOM    224  C   CYS A  18      23.460  -1.916   2.049  1.00  0.16           C  
ATOM    225  O   CYS A  18      23.662  -1.962   0.851  1.00  0.30           O  
ATOM    226  CB  CYS A  18      21.785  -1.146   3.774  1.00  0.17           C  
ATOM    227  SG  CYS A  18      22.260   0.536   3.313  1.00  0.14           S  
ATOM    228  H   CYS A  18      22.102  -3.558   4.197  1.00  0.20           H  
ATOM    229  HA  CYS A  18      21.312  -1.963   1.846  1.00  0.16           H  
ATOM    230  HB2 CYS A  18      20.735  -1.176   4.018  1.00  0.21           H  
ATOM    231  HB3 CYS A  18      22.358  -1.460   4.633  1.00  0.23           H  
ATOM    232  N   ALA A  19      24.437  -1.710   2.890  1.00  0.20           N  
ATOM    233  CA  ALA A  19      25.829  -1.527   2.385  1.00  0.22           C  
ATOM    234  C   ALA A  19      26.120  -2.544   1.279  1.00  0.22           C  
ATOM    235  O   ALA A  19      26.938  -2.319   0.409  1.00  0.32           O  
ATOM    236  CB  ALA A  19      26.727  -1.779   3.596  1.00  0.25           C  
ATOM    237  H   ALA A  19      24.256  -1.677   3.851  1.00  0.31           H  
ATOM    238  HA  ALA A  19      25.970  -0.521   2.022  1.00  0.27           H  
ATOM    239  HB1 ALA A  19      26.588  -0.987   4.318  1.00  1.03           H  
ATOM    240  HB2 ALA A  19      26.466  -2.726   4.046  1.00  1.07           H  
ATOM    241  HB3 ALA A  19      27.759  -1.802   3.281  1.00  1.05           H  
ATOM    242  N   LYS A  20      25.448  -3.661   1.308  1.00  0.21           N  
ATOM    243  CA  LYS A  20      25.666  -4.702   0.270  1.00  0.29           C  
ATOM    244  C   LYS A  20      25.148  -4.216  -1.087  1.00  0.32           C  
ATOM    245  O   LYS A  20      25.813  -4.328  -2.098  1.00  0.65           O  
ATOM    246  CB  LYS A  20      24.839  -5.886   0.760  1.00  0.32           C  
ATOM    247  CG  LYS A  20      25.764  -6.948   1.357  1.00  0.53           C  
ATOM    248  CD  LYS A  20      25.196  -8.339   1.068  1.00  1.01           C  
ATOM    249  CE  LYS A  20      26.324  -9.371   1.121  1.00  1.65           C  
ATOM    250  NZ  LYS A  20      26.364  -9.964  -0.245  1.00  2.22           N  
ATOM    251  H   LYS A  20      24.793  -3.820   2.017  1.00  0.22           H  
ATOM    252  HA  LYS A  20      26.707  -4.974   0.210  1.00  0.33           H  
ATOM    253  HB2 LYS A  20      24.141  -5.546   1.514  1.00  0.28           H  
ATOM    254  HB3 LYS A  20      24.292  -6.306  -0.067  1.00  0.42           H  
ATOM    255  HG2 LYS A  20      26.745  -6.861   0.914  1.00  1.16           H  
ATOM    256  HG3 LYS A  20      25.836  -6.803   2.424  1.00  0.83           H  
ATOM    257  HD2 LYS A  20      24.449  -8.583   1.808  1.00  1.58           H  
ATOM    258  HD3 LYS A  20      24.747  -8.347   0.086  1.00  1.62           H  
ATOM    259  HE2 LYS A  20      27.263  -8.890   1.350  1.00  2.13           H  
ATOM    260  HE3 LYS A  20      26.102 -10.133   1.855  1.00  2.22           H  
ATOM    261  HZ1 LYS A  20      25.395 -10.065  -0.608  1.00  2.64           H  
ATOM    262  HZ2 LYS A  20      26.820 -10.898  -0.204  1.00  2.57           H  
ATOM    263  HZ3 LYS A  20      26.905  -9.341  -0.878  1.00  2.62           H  
ATOM    264  N   THR A  21      23.957  -3.687  -1.110  1.00  0.22           N  
ATOM    265  CA  THR A  21      23.370  -3.198  -2.391  1.00  0.22           C  
ATOM    266  C   THR A  21      23.574  -1.685  -2.523  1.00  0.19           C  
ATOM    267  O   THR A  21      23.337  -1.105  -3.564  1.00  0.22           O  
ATOM    268  CB  THR A  21      21.880  -3.540  -2.270  1.00  0.23           C  
ATOM    269  OG1 THR A  21      21.671  -4.882  -2.683  1.00  0.29           O  
ATOM    270  CG2 THR A  21      21.041  -2.600  -3.142  1.00  0.24           C  
ATOM    271  H   THR A  21      23.440  -3.616  -0.281  1.00  0.44           H  
ATOM    272  HA  THR A  21      23.803  -3.716  -3.232  1.00  0.27           H  
ATOM    273  HB  THR A  21      21.577  -3.429  -1.240  1.00  0.21           H  
ATOM    274  HG1 THR A  21      20.894  -5.215  -2.229  1.00  0.85           H  
ATOM    275 HG21 THR A  21      20.093  -3.068  -3.368  1.00  1.03           H  
ATOM    276 HG22 THR A  21      21.569  -2.393  -4.061  1.00  1.06           H  
ATOM    277 HG23 THR A  21      20.868  -1.676  -2.609  1.00  1.04           H  
ATOM    278  N   CYS A  22      23.988  -1.041  -1.470  1.00  0.15           N  
ATOM    279  CA  CYS A  22      24.181   0.439  -1.530  1.00  0.13           C  
ATOM    280  C   CYS A  22      25.590   0.817  -1.093  1.00  0.15           C  
ATOM    281  O   CYS A  22      25.850   1.039   0.073  1.00  0.18           O  
ATOM    282  CB  CYS A  22      23.143   1.020  -0.566  1.00  0.13           C  
ATOM    283  SG  CYS A  22      21.592   0.105  -0.754  1.00  0.13           S  
ATOM    284  H   CYS A  22      24.155  -1.526  -0.635  1.00  0.15           H  
ATOM    285  HA  CYS A  22      23.989   0.808  -2.522  1.00  0.13           H  
ATOM    286  HB2 CYS A  22      23.501   0.936   0.449  1.00  0.13           H  
ATOM    287  HB3 CYS A  22      22.976   2.061  -0.802  1.00  0.13           H  
ATOM    288  N   SER A  23      26.500   0.922  -2.021  1.00  0.15           N  
ATOM    289  CA  SER A  23      27.887   1.320  -1.655  1.00  0.17           C  
ATOM    290  C   SER A  23      27.921   2.831  -1.439  1.00  0.18           C  
ATOM    291  O   SER A  23      28.742   3.532  -1.993  1.00  0.19           O  
ATOM    292  CB  SER A  23      28.748   0.933  -2.856  1.00  0.18           C  
ATOM    293  OG  SER A  23      30.026   0.506  -2.406  1.00  1.17           O  
ATOM    294  H   SER A  23      26.267   0.760  -2.959  1.00  0.15           H  
ATOM    295  HA  SER A  23      28.211   0.797  -0.772  1.00  0.18           H  
ATOM    296  HB2 SER A  23      28.271   0.131  -3.399  1.00  0.89           H  
ATOM    297  HB3 SER A  23      28.862   1.791  -3.505  1.00  0.18           H  
ATOM    298  HG  SER A  23      30.453   0.038  -3.126  1.00  1.53           H  
ATOM    299  N   LYS A  24      27.011   3.334  -0.656  1.00  0.17           N  
ATOM    300  CA  LYS A  24      26.944   4.794  -0.417  1.00  0.18           C  
ATOM    301  C   LYS A  24      25.732   5.097   0.456  1.00  0.17           C  
ATOM    302  O   LYS A  24      25.001   4.204   0.835  1.00  0.19           O  
ATOM    303  CB  LYS A  24      26.766   5.389  -1.804  1.00  0.17           C  
ATOM    304  CG  LYS A  24      28.086   5.998  -2.281  1.00  0.20           C  
ATOM    305  CD  LYS A  24      28.398   5.498  -3.695  1.00  0.21           C  
ATOM    306  CE  LYS A  24      27.553   6.274  -4.707  1.00  1.29           C  
ATOM    307  NZ  LYS A  24      27.927   5.703  -6.033  1.00  1.85           N  
ATOM    308  H   LYS A  24      26.353   2.750  -0.235  1.00  0.16           H  
ATOM    309  HA  LYS A  24      27.846   5.160   0.029  1.00  0.20           H  
ATOM    310  HB2 LYS A  24      26.472   4.605  -2.475  1.00  0.16           H  
ATOM    311  HB3 LYS A  24      26.001   6.151  -1.778  1.00  0.17           H  
ATOM    312  HG2 LYS A  24      28.003   7.074  -2.290  1.00  0.92           H  
ATOM    313  HG3 LYS A  24      28.881   5.703  -1.611  1.00  0.86           H  
ATOM    314  HD2 LYS A  24      29.445   5.651  -3.908  1.00  0.89           H  
ATOM    315  HD3 LYS A  24      28.167   4.443  -3.766  1.00  0.19           H  
ATOM    316  HE2 LYS A  24      26.502   6.121  -4.515  1.00  1.98           H  
ATOM    317  HE3 LYS A  24      27.794   7.326  -4.670  1.00  1.91           H  
ATOM    318  HZ1 LYS A  24      27.845   4.668  -6.000  1.00  2.31           H  
ATOM    319  HZ2 LYS A  24      28.908   5.968  -6.259  1.00  2.31           H  
ATOM    320  HZ3 LYS A  24      27.289   6.077  -6.763  1.00  2.24           H  
ATOM    321  N   PRO A  25      25.556   6.347   0.744  1.00  0.17           N  
ATOM    322  CA  PRO A  25      24.420   6.772   1.576  1.00  0.16           C  
ATOM    323  C   PRO A  25      23.155   6.922   0.724  1.00  0.14           C  
ATOM    324  O   PRO A  25      22.569   7.984   0.656  1.00  0.14           O  
ATOM    325  CB  PRO A  25      24.876   8.118   2.127  1.00  0.18           C  
ATOM    326  CG  PRO A  25      25.889   8.635   1.144  1.00  0.19           C  
ATOM    327  CD  PRO A  25      26.394   7.471   0.329  1.00  0.20           C  
ATOM    328  HA  PRO A  25      24.257   6.076   2.383  1.00  0.17           H  
ATOM    329  HB2 PRO A  25      24.040   8.797   2.193  1.00  0.17           H  
ATOM    330  HB3 PRO A  25      25.331   7.988   3.098  1.00  0.20           H  
ATOM    331  HG2 PRO A  25      25.429   9.362   0.493  1.00  0.92           H  
ATOM    332  HG3 PRO A  25      26.713   9.086   1.674  1.00  0.89           H  
ATOM    333  HD2 PRO A  25      26.269   7.667  -0.725  1.00  0.45           H  
ATOM    334  HD3 PRO A  25      27.431   7.272   0.556  1.00  0.37           H  
ATOM    335  N   CYS A  26      22.722   5.865   0.079  1.00  0.13           N  
ATOM    336  CA  CYS A  26      21.487   5.960  -0.755  1.00  0.12           C  
ATOM    337  C   CYS A  26      20.424   6.775  -0.016  1.00  0.12           C  
ATOM    338  O   CYS A  26      19.848   6.330   0.956  1.00  0.12           O  
ATOM    339  CB  CYS A  26      21.027   4.511  -0.980  1.00  0.11           C  
ATOM    340  SG  CYS A  26      21.731   3.901  -2.528  1.00  0.11           S  
ATOM    341  H   CYS A  26      23.204   5.014   0.150  1.00  0.13           H  
ATOM    342  HA  CYS A  26      21.715   6.422  -1.703  1.00  0.12           H  
ATOM    343  HB2 CYS A  26      21.376   3.892  -0.168  1.00  0.12           H  
ATOM    344  HB3 CYS A  26      19.949   4.474  -1.031  1.00  0.12           H  
ATOM    345  N   SER A  27      20.180   7.979  -0.467  1.00  0.13           N  
ATOM    346  CA  SER A  27      19.173   8.851   0.206  1.00  0.15           C  
ATOM    347  C   SER A  27      17.789   8.200   0.188  1.00  0.16           C  
ATOM    348  O   SER A  27      16.902   8.620  -0.528  1.00  0.18           O  
ATOM    349  CB  SER A  27      19.164  10.144  -0.611  1.00  0.16           C  
ATOM    350  OG  SER A  27      20.486  10.444  -1.035  1.00  1.37           O  
ATOM    351  H   SER A  27      20.672   8.316  -1.244  1.00  0.14           H  
ATOM    352  HA  SER A  27      19.475   9.062   1.219  1.00  0.15           H  
ATOM    353  HB2 SER A  27      18.528  10.020  -1.475  1.00  0.97           H  
ATOM    354  HB3 SER A  27      18.790  10.952  -0.001  1.00  0.99           H  
ATOM    355  HG  SER A  27      20.428  10.996  -1.818  1.00  1.86           H  
ATOM    356  N   CYS A  28      17.597   7.180   0.975  1.00  0.16           N  
ATOM    357  CA  CYS A  28      16.266   6.504   1.010  1.00  0.17           C  
ATOM    358  C   CYS A  28      16.292   5.317   1.977  1.00  0.17           C  
ATOM    359  O   CYS A  28      15.273   4.931   2.515  1.00  0.19           O  
ATOM    360  CB  CYS A  28      15.983   6.030  -0.422  1.00  0.18           C  
ATOM    361  SG  CYS A  28      17.522   5.552  -1.247  1.00  0.15           S  
ATOM    362  H   CYS A  28      18.328   6.860   1.546  1.00  0.15           H  
ATOM    363  HA  CYS A  28      15.506   7.207   1.314  1.00  0.19           H  
ATOM    364  HB2 CYS A  28      15.318   5.181  -0.391  1.00  0.18           H  
ATOM    365  HB3 CYS A  28      15.514   6.831  -0.975  1.00  0.19           H  
ATOM    366  N   CYS A  29      17.440   4.745   2.228  1.00  0.16           N  
ATOM    367  CA  CYS A  29      17.478   3.605   3.189  1.00  0.17           C  
ATOM    368  C   CYS A  29      17.280   4.193   4.601  1.00  0.19           C  
ATOM    369  O   CYS A  29      16.788   5.298   4.717  1.00  0.21           O  
ATOM    370  CB  CYS A  29      18.855   2.932   3.061  1.00  0.15           C  
ATOM    371  SG  CYS A  29      19.630   3.133   1.424  1.00  0.13           S  
ATOM    372  H   CYS A  29      18.257   5.075   1.809  1.00  0.16           H  
ATOM    373  HA  CYS A  29      16.694   2.899   2.968  1.00  0.18           H  
ATOM    374  HB2 CYS A  29      19.516   3.333   3.806  1.00  0.15           H  
ATOM    375  HB3 CYS A  29      18.731   1.875   3.255  1.00  0.15           H  
ATOM    376  N   PRO A  30      17.651   3.473   5.642  1.00  0.20           N  
ATOM    377  CA  PRO A  30      17.468   4.021   7.014  1.00  0.24           C  
ATOM    378  C   PRO A  30      18.490   5.127   7.292  1.00  0.29           C  
ATOM    379  O   PRO A  30      19.219   5.082   8.263  1.00  0.30           O  
ATOM    380  CB  PRO A  30      17.723   2.827   7.922  1.00  0.21           C  
ATOM    381  CG  PRO A  30      18.609   1.932   7.125  1.00  0.19           C  
ATOM    382  CD  PRO A  30      18.250   2.127   5.673  1.00  0.20           C  
ATOM    383  HA  PRO A  30      16.463   4.386   7.149  1.00  0.26           H  
ATOM    384  HB2 PRO A  30      18.222   3.141   8.827  1.00  0.25           H  
ATOM    385  HB3 PRO A  30      16.795   2.327   8.156  1.00  0.20           H  
ATOM    386  HG2 PRO A  30      19.640   2.211   7.282  1.00  0.25           H  
ATOM    387  HG3 PRO A  30      18.458   0.907   7.416  1.00  0.18           H  
ATOM    388  HD2 PRO A  30      19.140   2.081   5.074  1.00  0.22           H  
ATOM    389  HD3 PRO A  30      17.534   1.386   5.353  1.00  0.24           H  
ATOM    390  N   THR A  31      18.550   6.118   6.449  1.00  0.35           N  
ATOM    391  CA  THR A  31      19.525   7.225   6.665  1.00  0.41           C  
ATOM    392  C   THR A  31      18.814   8.579   6.584  1.00  0.69           C  
ATOM    393  O   THR A  31      17.612   8.608   6.792  1.00  1.38           O  
ATOM    394  CB  THR A  31      20.542   7.085   5.531  1.00  0.69           C  
ATOM    395  OG1 THR A  31      19.888   7.281   4.284  1.00  1.48           O  
ATOM    396  CG2 THR A  31      21.163   5.688   5.569  1.00  1.44           C  
ATOM    397  OXT THR A  31      19.484   9.563   6.317  1.00  1.37           O  
ATOM    398  H   THR A  31      17.954   6.133   5.674  1.00  0.35           H  
ATOM    399  HA  THR A  31      20.018   7.113   7.617  1.00  0.56           H  
ATOM    400  HB  THR A  31      21.320   7.823   5.651  1.00  1.29           H  
ATOM    401  HG1 THR A  31      20.410   6.849   3.604  1.00  1.91           H  
ATOM    402 HG21 THR A  31      21.967   5.671   6.290  1.00  1.95           H  
ATOM    403 HG22 THR A  31      21.550   5.439   4.592  1.00  2.01           H  
ATOM    404 HG23 THR A  31      20.410   4.967   5.852  1.00  2.02           H  
TER     405      THR A  31                                                      
HETATM  406 CD    CD A  32      20.527   0.755   1.465  1.00  0.12          CD  
HETATM  407 CD    CD A  33      17.661   3.226  -0.218  1.00  0.14          CD  
HETATM  408 CD    CD A  34      20.621   1.588  -2.569  1.00  0.11          CD  
CONECT   22  408                                                                
CONECT   69  407  408                                                           
CONECT  111  407                                                                
CONECT  143  406                                                                
CONECT  227  406                                                                
CONECT  283  406  408                                                           
CONECT  340  408                                                                
CONECT  361  407                                                                
CONECT  366  407                                                                
CONECT  371  406  407                                                           
CONECT  406  143  227  283  371                                                 
CONECT  407   69  111  361  366                                                 
CONECT  407  371                                                                
CONECT  408   22   69  283  340                                                 
MASTER      153    0    3    2    0    0    4    6  211    1   14    3          
END