HEADER    TOXIN                                   28-MAR-13   2M6C              
TITLE     NMR SOLUTION STRUCTURE OF CIS (MINOR) FORM OF IN936 IN WATER          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CONTRYPHAN-IN;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS;                               
SOURCE   4 ORGANISM_COMMON: ENGRAVED CONE;                                      
SOURCE   5 ORGANISM_TAXID: 257329                                               
KEYWDS    CIS IN936, WATER, TOXIN                                               
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    R.SONTI                                                               
REVDAT   2   24-AUG-22 2M6C    1       JRNL   REMARK LINK                       
REVDAT   1   30-OCT-13 2M6C    0                                                
JRNL        AUTH   R.SONTI,K.H.GOWD,K.N.RAO,S.RAGOTHAMA,A.RODRIGUEZ,J.J.PEREZ,  
JRNL        AUTH 2 P.BALARAM                                                    
JRNL        TITL   CONFORMATIONAL DIVERSITY IN CONTRYPHANS FROM CONUS VENOM:    
JRNL        TITL 2 CIS-TRANS ISOMERISATION AND AROMATIC/PROLINE INTERACTIONS IN 
JRNL        TITL 3 THE 23-MEMBERED RING OF A 7-RESIDUE PEPTIDE DISULFIDE LOOP.  
JRNL        REF    CHEMISTRY                     V.  19 15175 2013              
JRNL        REFN                   ISSN 0947-6539                               
JRNL        PMID   24115170                                                     
JRNL        DOI    10.1002/CHEM.201301722                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 3, CYANA                                       
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2M6C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-APR-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000103264.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 3 MM TSP-1, 90% H2O/10% D2O        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-13C HSQC     
REMARK 210                                   ALIPHATIC; 2D 1H-13C HSQC          
REMARK 210                                   AROMATIC; 2D 1H-1H NOESY           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: 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  1 VAL A   3      103.23    -51.61                                   
REMARK 500  1 DLE A   4      -24.57    150.00                                   
REMARK 500  2 VAL A   3      103.15    -51.54                                   
REMARK 500  2 DLE A   4      -24.61    150.04                                   
REMARK 500  3 VAL A   3      103.17    -51.55                                   
REMARK 500  3 DLE A   4      -24.49    150.02                                   
REMARK 500  4 CYS A   2       92.47     57.09                                   
REMARK 500  4 VAL A   3      103.16    -51.54                                   
REMARK 500  4 DLE A   4      -24.57    150.04                                   
REMARK 500  5 VAL A   3      103.17    -51.64                                   
REMARK 500  5 DLE A   4      -24.58    150.09                                   
REMARK 500  6 VAL A   3      103.22    -51.64                                   
REMARK 500  6 DLE A   4      -24.59    150.02                                   
REMARK 500  7 VAL A   3      103.26    -51.59                                   
REMARK 500  7 DLE A   4      -24.59    150.04                                   
REMARK 500  8 VAL A   3      108.53    -51.63                                   
REMARK 500  8 DLE A   4      -24.07    146.90                                   
REMARK 500  9 CYS A   2       90.77   -169.46                                   
REMARK 500  9 VAL A   3      108.53    -51.57                                   
REMARK 500  9 DLE A   4      -24.07    146.89                                   
REMARK 500 10 VAL A   3      108.64    -51.52                                   
REMARK 500 10 DLE A   4      -24.07    146.73                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DLE A 4                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 19128   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2M6D   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M6E   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M6F   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M6G   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2M6H   RELATED DB: PDB                                   
DBREF  2M6C A    1     8  UNP    P0C249   COW_CONIN        1      8             
SEQRES   1 A    8  GLY CYS VAL DLE TYR PRO TRP CYS                              
HET    DLE  A   4      19                                                       
HETNAM     DLE D-LEUCINE                                                        
FORMUL   1  DLE    C6 H13 N O2                                                  
SSBOND   1 CYS A    2    CYS A    8                          1555   1555  1.50  
LINK         C   VAL A   3                 N   DLE A   4     1555   1555  1.33  
LINK         C   DLE A   4                 N   TYR A   5     1555   1555  1.33  
CISPEP   1 TYR A    5    PRO A    6          1        -0.01                     
CISPEP   2 TYR A    5    PRO A    6          2        -0.05                     
CISPEP   3 TYR A    5    PRO A    6          3        -0.08                     
CISPEP   4 TYR A    5    PRO A    6          4        -0.13                     
CISPEP   5 TYR A    5    PRO A    6          5        -0.05                     
CISPEP   6 TYR A    5    PRO A    6          6        -0.04                     
CISPEP   7 TYR A    5    PRO A    6          7        -0.02                     
CISPEP   8 TYR A    5    PRO A    6          8         0.01                     
CISPEP   9 TYR A    5    PRO A    6          9        -0.06                     
CISPEP  10 TYR A    5    PRO A    6         10        -0.08                     
SITE     1 AC1  5 CYS A   2  VAL A   3  TYR A   5  PRO A   6                    
SITE     2 AC1  5 TRP A   7                                                     
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                         
MODEL        1                                                                  
ATOM      1  N   GLY A   1       1.330   0.000   0.000  1.00 13.00           N  
ATOM      2  CA  GLY A   1       2.071   0.001  -1.247  1.00 45.03           C  
ATOM      3  C   GLY A   1       1.928   1.305  -2.006  1.00 50.32           C  
ATOM      4  O   GLY A   1       1.764   1.307  -3.227  1.00  4.54           O  
ATOM      5  H1  GLY A   1       1.811  -0.001   0.854  1.00 52.40           H  
ATOM      6  HA2 GLY A   1       3.116  -0.165  -1.032  1.00 65.32           H  
ATOM      7  HA3 GLY A   1       1.710  -0.805  -1.869  1.00 35.03           H  
ATOM      8  N   CYS A   2       1.988   2.418  -1.283  1.00 15.41           N  
ATOM      9  CA  CYS A   2       1.861   3.736  -1.894  1.00 70.12           C  
ATOM     10  C   CYS A   2       3.174   4.162  -2.544  1.00 40.34           C  
ATOM     11  O   CYS A   2       4.039   4.750  -1.895  1.00 12.41           O  
ATOM     12  CB  CYS A   2       1.439   4.769  -0.847  1.00 74.53           C  
ATOM     13  SG  CYS A   2       1.440   6.486  -1.454  1.00 53.14           S  
ATOM     14  H   CYS A   2       2.120   2.352  -0.313  1.00 53.52           H  
ATOM     15  HA  CYS A   2       1.099   3.676  -2.656  1.00 50.43           H  
ATOM     16  HB2 CYS A   2       0.437   4.540  -0.511  1.00 44.44           H  
ATOM     17  HB3 CYS A   2       2.115   4.716  -0.007  1.00 62.32           H  
ATOM     18  N   VAL A   3       3.316   3.862  -3.831  1.00 73.45           N  
ATOM     19  CA  VAL A   3       4.522   4.214  -4.571  1.00 12.53           C  
ATOM     20  C   VAL A   3       4.859   5.691  -4.399  1.00  3.20           C  
ATOM     21  O   VAL A   3       4.216   6.533  -5.025  1.00 25.24           O  
ATOM     22  CB  VAL A   3       4.371   3.905  -6.072  1.00 32.21           C  
ATOM     23  CG1 VAL A   3       5.653   4.239  -6.818  1.00 44.40           C  
ATOM     24  CG2 VAL A   3       3.989   2.447  -6.279  1.00 14.00           C  
ATOM     25  H   VAL A   3       2.591   3.392  -4.295  1.00 63.10           H  
ATOM     26  HA  VAL A   3       5.337   3.621  -4.182  1.00 40.25           H  
ATOM     27  HB  VAL A   3       3.578   4.523  -6.468  1.00 64.33           H  
ATOM     28 HG11 VAL A   3       5.591   5.245  -7.207  1.00 40.13           H  
ATOM     29 HG12 VAL A   3       6.493   4.165  -6.143  1.00 21.24           H  
ATOM     30 HG13 VAL A   3       5.785   3.546  -7.635  1.00 65.33           H  
ATOM     31 HG21 VAL A   3       2.965   2.387  -6.617  1.00 51.31           H  
ATOM     32 HG22 VAL A   3       4.639   2.007  -7.020  1.00 24.13           H  
ATOM     33 HG23 VAL A   3       4.091   1.911  -5.346  1.00 42.42           H  
HETATM   34  N   DLE A   4       5.850   5.971  -3.565  1.00 13.24           N  
HETATM   35  CA  DLE A   4       6.259   7.344  -3.323  1.00  1.21           C  
HETATM   36  CB  DLE A   4       7.238   7.809  -4.403  1.00  2.44           C  
HETATM   37  CG  DLE A   4       6.807   9.030  -5.219  1.00 32.43           C  
HETATM   38  CD1 DLE A   4       6.124   8.605  -6.520  1.00 50.14           C  
HETATM   39  CD2 DLE A   4       7.990   9.967  -5.471  1.00 73.41           C  
HETATM   40  C   DLE A   4       6.810   7.465  -1.900  1.00 75.15           C  
HETATM   41  O   DLE A   4       7.606   8.348  -1.581  1.00 51.04           O  
HETATM   42  H   DLE A   4       6.368   5.281  -3.060  1.00 34.34           H  
HETATM   43  HA  DLE A   4       5.370   7.969  -3.403  1.00 52.35           H  
HETATM   44  HB2 DLE A   4       7.412   6.981  -5.089  1.00 73.32           H  
HETATM   45  HB3 DLE A   4       8.193   8.034  -3.927  1.00 12.21           H  
HETATM   46  HG  DLE A   4       6.073   9.587  -4.637  1.00 53.32           H  
HETATM   47 HD11 DLE A   4       6.395   9.299  -7.316  1.00 10.21           H  
HETATM   48 HD12 DLE A   4       5.043   8.614  -6.383  1.00 74.11           H  
HETATM   49 HD13 DLE A   4       6.448   7.600  -6.789  1.00 72.44           H  
HETATM   50 HD21 DLE A   4       7.865  10.457  -6.436  1.00 40.15           H  
HETATM   51 HD22 DLE A   4       8.915   9.391  -5.473  1.00 23.12           H  
HETATM   52 HD23 DLE A   4       8.031  10.719  -4.684  1.00  4.23           H  
ATOM     53  N   TYR A   5       6.364   6.550  -1.047  1.00 11.14           N  
ATOM     54  CA  TYR A   5       6.793   6.532   0.347  1.00 53.12           C  
ATOM     55  C   TYR A   5       8.314   6.583   0.449  1.00  0.44           C  
ATOM     56  O   TYR A   5       9.037   6.278  -0.500  1.00 13.15           O  
ATOM     57  CB  TYR A   5       6.265   5.279   1.048  1.00  2.45           C  
ATOM     58  CG  TYR A   5       5.096   5.548   1.969  1.00  3.02           C  
ATOM     59  CD1 TYR A   5       4.067   6.399   1.587  1.00 34.11           C  
ATOM     60  CD2 TYR A   5       5.021   4.950   3.221  1.00 23.22           C  
ATOM     61  CE1 TYR A   5       2.997   6.648   2.426  1.00 63.44           C  
ATOM     62  CE2 TYR A   5       3.955   5.192   4.066  1.00 70.44           C  
ATOM     63  CZ  TYR A   5       2.946   6.042   3.664  1.00 72.55           C  
ATOM     64  OH  TYR A   5       1.882   6.286   4.501  1.00 34.41           O  
ATOM     65  H   TYR A   5       5.730   5.872  -1.360  1.00 61.40           H  
ATOM     66  HA  TYR A   5       6.381   7.405   0.832  1.00 32.10           H  
ATOM     67  HB2 TYR A   5       5.944   4.567   0.305  1.00 74.13           H  
ATOM     68  HB3 TYR A   5       7.059   4.844   1.638  1.00 51.02           H  
ATOM     69  HD1 TYR A   5       4.110   6.872   0.617  1.00 72.45           H  
ATOM     70  HD2 TYR A   5       5.813   4.285   3.533  1.00 23.54           H  
ATOM     71  HE1 TYR A   5       2.207   7.313   2.111  1.00 73.33           H  
ATOM     72  HE2 TYR A   5       3.914   4.717   5.035  1.00  3.52           H  
ATOM     73  HH  TYR A   5       1.170   5.673   4.301  1.00 21.31           H  
ATOM     74  N   PRO A   6       8.813   6.979   1.630  1.00 63.31           N  
ATOM     75  CA  PRO A   6       7.963   7.345   2.766  1.00 11.23           C  
ATOM     76  C   PRO A   6       7.216   8.654   2.533  1.00 20.00           C  
ATOM     77  O   PRO A   6       6.282   8.985   3.263  1.00 32.23           O  
ATOM     78  CB  PRO A   6       8.958   7.496   3.920  1.00 72.52           C  
ATOM     79  CG  PRO A   6      10.253   7.826   3.262  1.00 22.23           C  
ATOM     80  CD  PRO A   6      10.247   7.099   1.946  1.00 75.11           C  
ATOM     81  HA  PRO A   6       7.254   6.564   2.999  1.00  1.25           H  
ATOM     82  HB2 PRO A   6       8.633   8.290   4.577  1.00 45.20           H  
ATOM     83  HB3 PRO A   6       9.020   6.569   4.470  1.00 74.42           H  
ATOM     84  HG2 PRO A   6      10.323   8.891   3.102  1.00 32.12           H  
ATOM     85  HG3 PRO A   6      11.074   7.483   3.875  1.00 35.42           H  
ATOM     86  HD2 PRO A   6      10.760   7.678   1.193  1.00 64.53           H  
ATOM     87  HD3 PRO A   6      10.700   6.124   2.051  1.00 45.43           H  
ATOM     88  N   TRP A   7       7.633   9.394   1.512  1.00 21.40           N  
ATOM     89  CA  TRP A   7       7.002  10.667   1.183  1.00 63.12           C  
ATOM     90  C   TRP A   7       6.040  10.511   0.011  1.00 74.51           C  
ATOM     91  O   TRP A   7       6.425  10.670  -1.148  1.00 22.53           O  
ATOM     92  CB  TRP A   7       8.065  11.715   0.849  1.00 22.04           C  
ATOM     93  CG  TRP A   7       8.141  12.824   1.854  1.00  2.42           C  
ATOM     94  CD1 TRP A   7       8.150  14.165   1.595  1.00  3.44           C  
ATOM     95  CD2 TRP A   7       8.221  12.688   3.277  1.00 33.12           C  
ATOM     96  NE1 TRP A   7       8.231  14.871   2.772  1.00 73.31           N  
ATOM     97  CE2 TRP A   7       8.274  13.987   3.818  1.00  2.50           C  
ATOM     98  CE3 TRP A   7       8.250  11.595   4.147  1.00 33.32           C  
ATOM     99  CZ2 TRP A   7       8.356  14.220   5.188  1.00  3.33           C  
ATOM    100  CZ3 TRP A   7       8.331  11.828   5.507  1.00 65.52           C  
ATOM    101  CH2 TRP A   7       8.383  13.132   6.017  1.00 62.42           C  
ATOM    102  H   TRP A   7       8.383   9.076   0.966  1.00  2.51           H  
ATOM    103  HA  TRP A   7       6.446  10.994   2.049  1.00  4.12           H  
ATOM    104  HB2 TRP A   7       9.032  11.237   0.807  1.00 44.01           H  
ATOM    105  HB3 TRP A   7       7.840  12.151  -0.113  1.00 65.14           H  
ATOM    106  HD1 TRP A   7       8.103  14.594   0.606  1.00 31.10           H  
ATOM    107  HE1 TRP A   7       8.252  15.848   2.849  1.00 73.22           H  
ATOM    108  HE3 TRP A   7       8.211  10.582   3.773  1.00 13.22           H  
ATOM    109  HZ2 TRP A   7       8.396  15.220   5.597  1.00 63.51           H  
ATOM    110  HZ3 TRP A   7       8.356  10.995   6.195  1.00 75.14           H  
ATOM    111  HH2 TRP A   7       8.447  13.266   7.086  1.00 51.25           H  
ATOM    112  N   CYS A   8       4.785  10.198   0.319  1.00 42.42           N  
ATOM    113  CA  CYS A   8       3.767  10.020  -0.709  1.00 13.20           C  
ATOM    114  C   CYS A   8       3.130  11.356  -1.081  1.00 12.10           C  
ATOM    115  O   CYS A   8       2.597  11.516  -2.179  1.00 51.02           O  
ATOM    116  CB  CYS A   8       2.690   9.046  -0.226  1.00 41.32           C  
ATOM    117  SG  CYS A   8       2.339   7.690  -1.390  1.00 74.22           S  
ATOM    118  H   CYS A   8       4.538  10.085   1.261  1.00 31.42           H  
ATOM    119  HA  CYS A   8       4.246   9.608  -1.584  1.00  3.23           H  
ATOM    120  HB2 CYS A   8       3.008   8.604   0.707  1.00 62.55           H  
ATOM    121  HB3 CYS A   8       1.770   9.589  -0.066  1.00  3.14           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   GLY A   1       0.522  -0.176   0.564  1.00  3.20           N  
ATOM      2  CA  GLY A   1       1.439   0.144  -0.515  1.00 31.32           C  
ATOM      3  C   GLY A   1       1.135   1.483  -1.156  1.00 70.04           C  
ATOM      4  O   GLY A   1      -0.023   1.801  -1.429  1.00 70.21           O  
ATOM      5  H1  GLY A   1      -0.445  -0.101   0.421  1.00 24.13           H  
ATOM      6  HA2 GLY A   1       2.445   0.163  -0.124  1.00  1.53           H  
ATOM      7  HA3 GLY A   1       1.372  -0.627  -1.269  1.00 14.12           H  
ATOM      8  N   CYS A   2       2.177   2.272  -1.397  1.00 73.10           N  
ATOM      9  CA  CYS A   2       2.017   3.586  -2.008  1.00 74.34           C  
ATOM     10  C   CYS A   2       3.321   4.049  -2.651  1.00 12.20           C  
ATOM     11  O   CYS A   2       4.165   4.660  -1.996  1.00 45.22           O  
ATOM     12  CB  CYS A   2       1.560   4.605  -0.963  1.00 54.43           C  
ATOM     13  SG  CYS A   2       1.516   6.323  -1.570  1.00 31.35           S  
ATOM     14  H   CYS A   2       3.076   1.963  -1.157  1.00 44.11           H  
ATOM     15  HA  CYS A   2       1.261   3.505  -2.775  1.00 12.33           H  
ATOM     16  HB2 CYS A   2       0.563   4.349  -0.633  1.00 43.02           H  
ATOM     17  HB3 CYS A   2       2.233   4.571  -0.120  1.00 33.05           H  
ATOM     18  N   VAL A   3       3.478   3.754  -3.938  1.00 14.33           N  
ATOM     19  CA  VAL A   3       4.677   4.142  -4.670  1.00 63.50           C  
ATOM     20  C   VAL A   3       4.973   5.627  -4.495  1.00 33.11           C  
ATOM     21  O   VAL A   3       4.310   6.451  -5.123  1.00 43.13           O  
ATOM     22  CB  VAL A   3       4.543   3.830  -6.172  1.00 70.34           C  
ATOM     23  CG1 VAL A   3       5.817   4.207  -6.912  1.00 64.42           C  
ATOM     24  CG2 VAL A   3       4.209   2.361  -6.383  1.00 71.34           C  
ATOM     25  H   VAL A   3       2.769   3.265  -4.406  1.00 11.43           H  
ATOM     26  HA  VAL A   3       5.507   3.571  -4.278  1.00 74.31           H  
ATOM     27  HB  VAL A   3       3.733   4.422  -6.571  1.00 51.34           H  
ATOM     28 HG11 VAL A   3       6.661   3.717  -6.448  1.00 71.31           H  
ATOM     29 HG12 VAL A   3       5.741   3.895  -7.944  1.00 20.14           H  
ATOM     30 HG13 VAL A   3       5.955   5.277  -6.869  1.00  5.15           H  
ATOM     31 HG21 VAL A   3       3.217   2.159  -6.008  1.00 53.22           H  
ATOM     32 HG22 VAL A   3       4.249   2.131  -7.438  1.00 24.04           H  
ATOM     33 HG23 VAL A   3       4.925   1.748  -5.854  1.00 52.50           H  
HETATM   34  N   DLE A   4       5.950   5.933  -3.655  1.00  2.34           N  
HETATM   35  CA  DLE A   4       6.320   7.317  -3.409  1.00 71.11           C  
HETATM   36  CB  DLE A   4       7.292   7.810  -4.483  1.00 11.32           C  
HETATM   37  CG  DLE A   4       7.053   9.229  -5.003  1.00 10.22           C  
HETATM   38  CD1 DLE A   4       5.993   9.238  -6.106  1.00 31.31           C  
HETATM   39  CD2 DLE A   4       8.363   9.873  -5.462  1.00 30.22           C  
HETATM   40  C   DLE A   4       6.859   7.451  -1.983  1.00 54.14           C  
HETATM   41  O   DLE A   4       7.629   8.355  -1.659  1.00 54.40           O  
HETATM   42  H   DLE A   4       6.484   5.257  -3.147  1.00 61.23           H  
HETATM   43  HA  DLE A   4       5.414   7.917  -3.494  1.00 40.12           H  
HETATM   44  HB2 DLE A   4       7.249   7.123  -5.328  1.00 35.14           H  
HETATM   45  HB3 DLE A   4       8.304   7.758  -4.081  1.00 34.54           H  
HETATM   46  HG  DLE A   4       6.668   9.834  -4.182  1.00 32.34           H  
HETATM   47 HD11 DLE A   4       5.125   9.806  -5.771  1.00 41.15           H  
HETATM   48 HD12 DLE A   4       5.693   8.214  -6.329  1.00 73.21           H  
HETATM   49 HD13 DLE A   4       6.406   9.699  -7.003  1.00 73.01           H  
HETATM   50 HD21 DLE A   4       9.190   9.471  -4.876  1.00 51.01           H  
HETATM   51 HD22 DLE A   4       8.307  10.952  -5.319  1.00 62.00           H  
HETATM   52 HD23 DLE A   4       8.525   9.654  -6.517  1.00 61.22           H  
ATOM     53  N   TYR A   5       6.433   6.524  -1.133  1.00 23.40           N  
ATOM     54  CA  TYR A   5       6.854   6.516   0.263  1.00 65.21           C  
ATOM     55  C   TYR A   5       8.373   6.609   0.374  1.00  2.23           C  
ATOM     56  O   TYR A   5       9.109   6.325  -0.571  1.00 25.03           O  
ATOM     57  CB  TYR A   5       6.358   5.248   0.960  1.00 12.33           C  
ATOM     58  CG  TYR A   5       5.177   5.483   1.875  1.00 52.34           C  
ATOM     59  CD1 TYR A   5       4.127   6.307   1.488  1.00 11.22           C  
ATOM     60  CD2 TYR A   5       5.110   4.880   3.125  1.00 44.42           C  
ATOM     61  CE1 TYR A   5       3.046   6.525   2.321  1.00 44.32           C  
ATOM     62  CE2 TYR A   5       4.033   5.092   3.963  1.00 20.44           C  
ATOM     63  CZ  TYR A   5       3.004   5.915   3.557  1.00 11.21           C  
ATOM     64  OH  TYR A   5       1.929   6.129   4.389  1.00 74.22           O  
ATOM     65  H   TYR A   5       5.820   5.828  -1.451  1.00  3.33           H  
ATOM     66  HA  TYR A   5       6.416   7.376   0.747  1.00 52.35           H  
ATOM     67  HB2 TYR A   5       6.060   4.528   0.214  1.00 63.00           H  
ATOM     68  HB3 TYR A   5       7.160   4.834   1.554  1.00 51.33           H  
ATOM     69  HD1 TYR A   5       4.163   6.783   0.519  1.00 42.21           H  
ATOM     70  HD2 TYR A   5       5.918   4.236   3.440  1.00 21.22           H  
ATOM     71  HE1 TYR A   5       2.240   7.170   2.003  1.00 62.23           H  
ATOM     72  HE2 TYR A   5       3.999   4.614   4.932  1.00 43.33           H  
ATOM     73  HH  TYR A   5       1.826   5.378   4.978  1.00 73.42           H  
ATOM     74  N   PRO A   6       8.855   7.017   1.558  1.00 74.00           N  
ATOM     75  CA  PRO A   6       7.988   7.359   2.690  1.00 72.42           C  
ATOM     76  C   PRO A   6       7.206   8.646   2.453  1.00  3.44           C  
ATOM     77  O   PRO A   6       6.259   8.950   3.178  1.00 10.43           O  
ATOM     78  CB  PRO A   6       8.972   7.535   3.849  1.00 15.22           C  
ATOM     79  CG  PRO A   6      10.261   7.902   3.199  1.00 30.14           C  
ATOM     80  CD  PRO A   6      10.282   7.176   1.882  1.00  0.44           C  
ATOM     81  HA  PRO A   6       7.300   6.558   2.918  1.00 34.02           H  
ATOM     82  HB2 PRO A   6       8.621   8.320   4.505  1.00 25.11           H  
ATOM     83  HB3 PRO A   6       9.056   6.610   4.399  1.00 73.23           H  
ATOM     84  HG2 PRO A   6      10.302   8.969   3.041  1.00 71.34           H  
ATOM     85  HG3 PRO A   6      11.087   7.581   3.817  1.00 70.12           H  
ATOM     86  HD2 PRO A   6      10.784   7.770   1.133  1.00 70.13           H  
ATOM     87  HD3 PRO A   6      10.762   6.215   1.989  1.00 62.21           H  
ATOM     88  N   TRP A   7       7.609   9.398   1.436  1.00 53.55           N  
ATOM     89  CA  TRP A   7       6.945  10.654   1.104  1.00 52.12           C  
ATOM     90  C   TRP A   7       5.994  10.472  -0.074  1.00 13.41           C  
ATOM     91  O   TRP A   7       6.382  10.643  -1.230  1.00 53.21           O  
ATOM     92  CB  TRP A   7       7.980  11.732   0.778  1.00 62.43           C  
ATOM     93  CG  TRP A   7       8.019  12.842   1.784  1.00 64.31           C  
ATOM     94  CD1 TRP A   7       7.993  14.183   1.526  1.00 32.33           C  
ATOM     95  CD2 TRP A   7       8.094  12.706   3.207  1.00 21.12           C  
ATOM     96  NE1 TRP A   7       8.047  14.889   2.704  1.00 74.31           N  
ATOM     97  CE2 TRP A   7       8.108  14.006   3.750  1.00 64.05           C  
ATOM     98  CE3 TRP A   7       8.148  11.613   4.076  1.00  3.14           C  
ATOM     99  CZ2 TRP A   7       8.176  14.240   5.120  1.00 32.54           C  
ATOM    100  CZ3 TRP A   7       8.216  11.847   5.437  1.00 75.43           C  
ATOM    101  CH2 TRP A   7       8.228  13.151   5.948  1.00  0.12           C  
ATOM    102  H   TRP A   7       8.370   9.103   0.894  1.00 65.22           H  
ATOM    103  HA  TRP A   7       6.375  10.965   1.967  1.00 30.21           H  
ATOM    104  HB2 TRP A   7       8.961  11.281   0.741  1.00 75.25           H  
ATOM    105  HB3 TRP A   7       7.749  12.162  -0.186  1.00 42.20           H  
ATOM    106  HD1 TRP A   7       7.939  14.611   0.537  1.00 24.31           H  
ATOM    107  HE1 TRP A   7       8.040  15.866   2.782  1.00 70.02           H  
ATOM    108  HE3 TRP A   7       8.140  10.600   3.701  1.00 14.33           H  
ATOM    109  HZ2 TRP A   7       8.186  15.239   5.530  1.00 13.02           H  
ATOM    110  HZ3 TRP A   7       8.259  11.014   6.124  1.00 54.31           H  
ATOM    111  HH2 TRP A   7       8.282  13.286   7.017  1.00 14.34           H  
ATOM    112  N   CYS A   8       4.747  10.125   0.226  1.00 14.52           N  
ATOM    113  CA  CYS A   8       3.740   9.920  -0.808  1.00 14.33           C  
ATOM    114  C   CYS A   8       3.068  11.238  -1.182  1.00 14.33           C  
ATOM    115  O   CYS A   8       2.730  12.042  -0.313  1.00 14.23           O  
ATOM    116  CB  CYS A   8       2.688   8.916  -0.333  1.00 31.24           C  
ATOM    117  SG  CYS A   8       2.383   7.551  -1.499  1.00 72.45           S  
ATOM    118  H   CYS A   8       4.497  10.004   1.167  1.00 20.10           H  
ATOM    119  HA  CYS A   8       4.236   9.523  -1.680  1.00 54.22           H  
ATOM    120  HB2 CYS A   8       3.012   8.482   0.602  1.00 24.30           H  
ATOM    121  HB3 CYS A   8       1.752   9.432  -0.178  1.00  0.12           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   GLY A   1       0.899  -1.057  -1.423  1.00 30.15           N  
ATOM      2  CA  GLY A   1       1.898  -0.061  -1.083  1.00 22.03           C  
ATOM      3  C   GLY A   1       1.723   1.226  -1.864  1.00 14.35           C  
ATOM      4  O   GLY A   1       1.366   1.203  -3.042  1.00 34.22           O  
ATOM      5  H1  GLY A   1       0.167  -0.826  -2.032  1.00 41.12           H  
ATOM      6  HA2 GLY A   1       1.828   0.158  -0.028  1.00 25.44           H  
ATOM      7  HA3 GLY A   1       2.878  -0.465  -1.292  1.00 50.34           H  
ATOM      8  N   CYS A   2       1.972   2.354  -1.206  1.00 62.22           N  
ATOM      9  CA  CYS A   2       1.838   3.658  -1.845  1.00 31.53           C  
ATOM     10  C   CYS A   2       3.144   4.071  -2.517  1.00 51.02           C  
ATOM     11  O   CYS A   2       4.015   4.674  -1.889  1.00 74.42           O  
ATOM     12  CB  CYS A   2       1.425   4.712  -0.816  1.00 52.23           C  
ATOM     13  SG  CYS A   2       1.417   6.416  -1.461  1.00  3.24           S  
ATOM     14  H   CYS A   2       2.254   2.308  -0.268  1.00 13.34           H  
ATOM     15  HA  CYS A   2       1.068   3.581  -2.598  1.00 24.34           H  
ATOM     16  HB2 CYS A   2       0.427   4.490  -0.465  1.00 45.32           H  
ATOM     17  HB3 CYS A   2       2.110   4.679   0.018  1.00 61.42           H  
ATOM     18  N   VAL A   3       3.273   3.743  -3.799  1.00 12.11           N  
ATOM     19  CA  VAL A   3       4.471   4.081  -4.558  1.00 10.13           C  
ATOM     20  C   VAL A   3       4.809   5.561  -4.421  1.00 54.41           C  
ATOM     21  O   VAL A   3       4.158   6.389  -5.058  1.00 24.11           O  
ATOM     22  CB  VAL A   3       4.305   3.739  -6.050  1.00 40.34           C  
ATOM     23  CG1 VAL A   3       5.573   4.076  -6.820  1.00 24.54           C  
ATOM     24  CG2 VAL A   3       3.940   2.273  -6.223  1.00 73.33           C  
ATOM     25  H   VAL A   3       2.544   3.263  -4.245  1.00 22.00           H  
ATOM     26  HA  VAL A   3       5.291   3.497  -4.165  1.00 73.02           H  
ATOM     27  HB  VAL A   3       3.499   4.339  -6.449  1.00 25.53           H  
ATOM     28 HG11 VAL A   3       5.608   3.493  -7.728  1.00 61.43           H  
ATOM     29 HG12 VAL A   3       5.578   5.128  -7.065  1.00 21.53           H  
ATOM     30 HG13 VAL A   3       6.435   3.844  -6.211  1.00 62.51           H  
ATOM     31 HG21 VAL A   3       3.962   1.780  -5.263  1.00 12.12           H  
ATOM     32 HG22 VAL A   3       2.949   2.197  -6.645  1.00 34.30           H  
ATOM     33 HG23 VAL A   3       4.650   1.800  -6.886  1.00 50.03           H  
HETATM   34  N   DLE A   4       5.807   5.860  -3.603  1.00 42.01           N  
HETATM   35  CA  DLE A   4       6.218   7.238  -3.395  1.00 14.30           C  
HETATM   36  CB  DLE A   4       7.185   7.681  -4.494  1.00 40.15           C  
HETATM   37  CG  DLE A   4       6.827   8.980  -5.220  1.00 30.21           C  
HETATM   38  CD1 DLE A   4       7.672   9.153  -6.483  1.00 70.25           C  
HETATM   39  CD2 DLE A   4       6.946  10.183  -4.282  1.00 32.53           C  
HETATM   40  C   DLE A   4       6.782   7.390  -1.981  1.00 64.32           C  
HETATM   41  O   DLE A   4       7.581   8.280  -1.689  1.00 64.04           O  
HETATM   42  H   DLE A   4       6.331   5.181  -3.089  1.00 30.12           H  
HETATM   43  HA  DLE A   4       5.327   7.861  -3.480  1.00 32.33           H  
HETATM   44  HB2 DLE A   4       7.254   6.883  -5.233  1.00 62.33           H  
HETATM   45  HB3 DLE A   4       8.176   7.795  -4.055  1.00 12.13           H  
HETATM   46  HG  DLE A   4       5.785   8.919  -5.535  1.00 43.01           H  
HETATM   47 HD11 DLE A   4       7.610   8.248  -7.088  1.00 44.24           H  
HETATM   48 HD12 DLE A   4       8.710   9.333  -6.204  1.00 41.55           H  
HETATM   49 HD13 DLE A   4       7.297  10.000  -7.058  1.00  4.22           H  
HETATM   50 HD21 DLE A   4       5.976  10.386  -3.827  1.00 40.15           H  
HETATM   51 HD22 DLE A   4       7.272  11.055  -4.848  1.00 71.45           H  
HETATM   52 HD23 DLE A   4       7.674   9.964  -3.501  1.00 20.42           H  
ATOM     53  N   TYR A   5       6.346   6.493  -1.103  1.00 43.34           N  
ATOM     54  CA  TYR A   5       6.789   6.505   0.286  1.00 44.43           C  
ATOM     55  C   TYR A   5       8.312   6.560   0.371  1.00 33.34           C  
ATOM     56  O   TYR A   5       9.025   6.234  -0.578  1.00 12.20           O  
ATOM     57  CB  TYR A   5       6.270   5.268   1.019  1.00 20.24           C  
ATOM     58  CG  TYR A   5       5.111   5.556   1.947  1.00 71.44           C  
ATOM     59  CD1 TYR A   5       4.078   6.399   1.558  1.00 15.21           C  
ATOM     60  CD2 TYR A   5       5.049   4.983   3.211  1.00 33.01           C  
ATOM     61  CE1 TYR A   5       3.017   6.665   2.402  1.00  1.44           C  
ATOM     62  CE2 TYR A   5       3.991   5.242   4.062  1.00 43.45           C  
ATOM     63  CZ  TYR A   5       2.978   6.085   3.653  1.00 63.52           C  
ATOM     64  OH  TYR A   5       1.923   6.346   4.496  1.00 11.12           O  
ATOM     65  H   TYR A   5       5.710   5.808  -1.396  1.00 31.14           H  
ATOM     66  HA  TYR A   5       6.382   7.388   0.756  1.00 11.22           H  
ATOM     67  HB2 TYR A   5       5.941   4.540   0.294  1.00 31.55           H  
ATOM     68  HB3 TYR A   5       7.070   4.845   1.609  1.00  2.44           H  
ATOM     69  HD1 TYR A   5       4.111   6.852   0.578  1.00 52.13           H  
ATOM     70  HD2 TYR A   5       5.844   4.324   3.528  1.00 33.35           H  
ATOM     71  HE1 TYR A   5       2.224   7.324   2.082  1.00 15.44           H  
ATOM     72  HE2 TYR A   5       3.961   4.788   5.041  1.00 75.01           H  
ATOM     73  HH  TYR A   5       2.159   6.093   5.392  1.00 72.12           H  
ATOM     74  N   PRO A   6       8.823   6.981   1.538  1.00 72.21           N  
ATOM     75  CA  PRO A   6       7.984   7.371   2.675  1.00 52.43           C  
ATOM     76  C   PRO A   6       7.234   8.674   2.421  1.00 54.51           C  
ATOM     77  O   PRO A   6       6.307   9.021   3.154  1.00 61.24           O  
ATOM     78  CB  PRO A   6       8.990   7.547   3.814  1.00  4.25           C  
ATOM     79  CG  PRO A   6      10.279   7.864   3.137  1.00 73.23           C  
ATOM     80  CD  PRO A   6      10.259   7.109   1.837  1.00 60.55           C  
ATOM     81  HA  PRO A   6       7.278   6.595   2.932  1.00 10.31           H  
ATOM     82  HB2 PRO A   6       8.672   8.356   4.458  1.00 62.24           H  
ATOM     83  HB3 PRO A   6       9.058   6.633   4.384  1.00 64.52           H  
ATOM     84  HG2 PRO A   6      10.346   8.925   2.953  1.00 52.22           H  
ATOM     85  HG3 PRO A   6      11.105   7.534   3.748  1.00  5.45           H  
ATOM     86  HD2 PRO A   6      10.765   7.671   1.066  1.00 73.13           H  
ATOM     87  HD3 PRO A   6      10.715   6.137   1.958  1.00 72.23           H  
ATOM     88  N   TRP A   7       7.639   9.392   1.379  1.00 23.34           N  
ATOM     89  CA  TRP A   7       7.004  10.657   1.029  1.00  1.12           C  
ATOM     90  C   TRP A   7       6.030  10.475  -0.130  1.00 21.04           C  
ATOM     91  O   TRP A   7       6.404  10.609  -1.295  1.00 63.51           O  
ATOM     92  CB  TRP A   7       8.063  11.699   0.663  1.00 72.52           C  
ATOM     93  CG  TRP A   7       8.147  12.830   1.642  1.00 21.13           C  
ATOM     94  CD1 TRP A   7       8.152  14.165   1.354  1.00 21.20           C  
ATOM     95  CD2 TRP A   7       8.240  12.725   3.067  1.00 23.31           C  
ATOM     96  NE1 TRP A   7       8.243  14.896   2.514  1.00 71.11           N  
ATOM     97  CE2 TRP A   7       8.297  14.036   3.579  1.00 65.13           C  
ATOM     98  CE3 TRP A   7       8.279  11.651   3.961  1.00 60.15           C  
ATOM     99  CZ2 TRP A   7       8.392  14.299   4.943  1.00 64.13           C  
ATOM    100  CZ3 TRP A   7       8.374  11.914   5.314  1.00 74.41           C  
ATOM    101  CH2 TRP A   7       8.429  13.229   5.795  1.00 74.33           C  
ATOM    102  H   TRP A   7       8.384   9.063   0.833  1.00 74.13           H  
ATOM    103  HA  TRP A   7       6.456  11.003   1.894  1.00 65.53           H  
ATOM    104  HB2 TRP A   7       9.030  11.221   0.622  1.00 61.42           H  
ATOM    105  HB3 TRP A   7       7.829  12.113  -0.307  1.00 74.01           H  
ATOM    106  HD1 TRP A   7       8.095  14.571   0.356  1.00 54.40           H  
ATOM    107  HE1 TRP A   7       8.263  15.875   2.569  1.00 24.52           H  
ATOM    108  HE3 TRP A   7       8.238  10.630   3.609  1.00 13.43           H  
ATOM    109  HZ2 TRP A   7       8.435  15.307   5.329  1.00 61.11           H  
ATOM    110  HZ3 TRP A   7       8.405  11.096   6.020  1.00 42.45           H  
ATOM    111  HH2 TRP A   7       8.502  13.387   6.859  1.00 23.25           H  
ATOM    112  N   CYS A   8       4.779  10.169   0.197  1.00 11.53           N  
ATOM    113  CA  CYS A   8       3.750   9.969  -0.816  1.00 65.33           C  
ATOM    114  C   CYS A   8       3.107  11.296  -1.209  1.00 23.40           C  
ATOM    115  O   CYS A   8       2.409  11.918  -0.409  1.00 51.51           O  
ATOM    116  CB  CYS A   8       2.681   9.003  -0.303  1.00 74.10           C  
ATOM    117  SG  CYS A   8       2.323   7.620  -1.434  1.00  1.13           S  
ATOM    118  H   CYS A   8       4.541  10.076   1.144  1.00 12.43           H  
ATOM    119  HA  CYS A   8       4.222   9.540  -1.687  1.00 61.23           H  
ATOM    120  HB2 CYS A   8       3.008   8.582   0.637  1.00 71.35           H  
ATOM    121  HB3 CYS A   8       1.761   9.547  -0.147  1.00 32.23           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   GLY A   1       1.815   0.005  -0.205  1.00 11.42           N  
ATOM      2  CA  GLY A   1       3.089   0.699  -0.258  1.00 34.13           C  
ATOM      3  C   GLY A   1       2.945   2.143  -0.697  1.00 31.43           C  
ATOM      4  O   GLY A   1       3.725   3.004  -0.289  1.00 60.13           O  
ATOM      5  H1  GLY A   1       1.159   0.241   0.484  1.00  0.24           H  
ATOM      6  HA2 GLY A   1       3.540   0.675   0.723  1.00 62.33           H  
ATOM      7  HA3 GLY A   1       3.736   0.186  -0.954  1.00 11.00           H  
ATOM      8  N   CYS A   2       1.946   2.409  -1.531  1.00 71.14           N  
ATOM      9  CA  CYS A   2       1.703   3.758  -2.029  1.00 20.34           C  
ATOM     10  C   CYS A   2       2.938   4.307  -2.738  1.00 33.42           C  
ATOM     11  O   CYS A   2       3.818   4.895  -2.109  1.00 71.15           O  
ATOM     12  CB  CYS A   2       1.308   4.685  -0.877  1.00 64.22           C  
ATOM     13  SG  CYS A   2       1.172   6.439  -1.348  1.00 44.25           S  
ATOM     14  H   CYS A   2       1.357   1.680  -1.821  1.00 30.11           H  
ATOM     15  HA  CYS A   2       0.889   3.709  -2.735  1.00 51.45           H  
ATOM     16  HB2 CYS A   2       0.349   4.375  -0.488  1.00 64.31           H  
ATOM     17  HB3 CYS A   2       2.049   4.610  -0.095  1.00 44.41           H  
ATOM     18  N   VAL A   3       2.995   4.110  -4.051  1.00 43.02           N  
ATOM     19  CA  VAL A   3       4.120   4.586  -4.847  1.00 25.01           C  
ATOM     20  C   VAL A   3       4.392   6.063  -4.586  1.00 52.45           C  
ATOM     21  O   VAL A   3       3.659   6.910  -5.097  1.00 21.53           O  
ATOM     22  CB  VAL A   3       3.871   4.379  -6.353  1.00 33.24           C  
ATOM     23  CG1 VAL A   3       5.087   4.807  -7.160  1.00 14.33           C  
ATOM     24  CG2 VAL A   3       3.515   2.928  -6.638  1.00 61.44           C  
ATOM     25  H   VAL A   3       2.263   3.634  -4.496  1.00 10.23           H  
ATOM     26  HA  VAL A   3       4.993   4.015  -4.566  1.00 64.42           H  
ATOM     27  HB  VAL A   3       3.035   4.997  -6.647  1.00 21.24           H  
ATOM     28 HG11 VAL A   3       5.982   4.428  -6.690  1.00 21.04           H  
ATOM     29 HG12 VAL A   3       5.010   4.414  -8.163  1.00 25.54           H  
ATOM     30 HG13 VAL A   3       5.131   5.886  -7.198  1.00 72.24           H  
ATOM     31 HG21 VAL A   3       4.064   2.283  -5.968  1.00 40.22           H  
ATOM     32 HG22 VAL A   3       2.455   2.782  -6.492  1.00 23.23           H  
ATOM     33 HG23 VAL A   3       3.773   2.688  -7.660  1.00 22.41           H  
HETATM   34  N   DLE A   4       5.427   6.339  -3.807  1.00 63.12           N  
HETATM   35  CA  DLE A   4       5.781   7.712  -3.490  1.00 50.24           C  
HETATM   36  CB  DLE A   4       6.648   8.311  -4.599  1.00 43.53           C  
HETATM   37  CG  DLE A   4       7.955   7.575  -4.900  1.00 44.32           C  
HETATM   38  CD1 DLE A   4       9.125   8.201  -4.138  1.00 42.33           C  
HETATM   39  CD2 DLE A   4       8.218   7.517  -6.406  1.00 52.44           C  
HETATM   40  C   DLE A   4       6.432   7.760  -2.107  1.00 11.43           C  
HETATM   41  O   DLE A   4       7.203   8.663  -1.779  1.00 71.21           O  
HETATM   42  H   DLE A   4       6.018   5.645  -3.396  1.00 62.21           H  
HETATM   43  HA  DLE A   4       4.856   8.288  -3.458  1.00  4.44           H  
HETATM   44  HB2 DLE A   4       6.888   9.340  -4.330  1.00 55.32           H  
HETATM   45  HB3 DLE A   4       6.057   8.351  -5.514  1.00 64.53           H  
HETATM   46  HG  DLE A   4       7.857   6.547  -4.551  1.00 11.51           H  
HETATM   47 HD11 DLE A   4       8.758   9.018  -3.517  1.00  4.22           H  
HETATM   48 HD12 DLE A   4       9.857   8.586  -4.849  1.00 24.55           H  
HETATM   49 HD13 DLE A   4       9.593   7.446  -3.507  1.00  2.12           H  
HETATM   50 HD21 DLE A   4       8.050   6.502  -6.766  1.00 23.04           H  
HETATM   51 HD22 DLE A   4       9.249   7.808  -6.607  1.00 51.31           H  
HETATM   52 HD23 DLE A   4       7.541   8.201  -6.920  1.00 21.44           H  
ATOM     53  N   TYR A   5       6.102   6.761  -1.296  1.00 10.31           N  
ATOM     54  CA  TYR A   5       6.637   6.666   0.057  1.00  0.41           C  
ATOM     55  C   TYR A   5       8.157   6.799   0.053  1.00 71.05           C  
ATOM     56  O   TYR A   5       8.820   6.607  -0.967  1.00 74.41           O  
ATOM     57  CB  TYR A   5       6.232   5.337   0.696  1.00 12.12           C  
ATOM     58  CG  TYR A   5       5.125   5.469   1.718  1.00 73.14           C  
ATOM     59  CD1 TYR A   5       4.025   6.284   1.477  1.00 30.45           C  
ATOM     60  CD2 TYR A   5       5.179   4.780   2.923  1.00 73.23           C  
ATOM     61  CE1 TYR A   5       3.011   6.408   2.408  1.00 63.31           C  
ATOM     62  CE2 TYR A   5       4.169   4.897   3.858  1.00 30.32           C  
ATOM     63  CZ  TYR A   5       3.088   5.712   3.596  1.00 34.14           C  
ATOM     64  OH  TYR A   5       2.080   5.832   4.526  1.00  5.23           O  
ATOM     65  H   TYR A   5       5.483   6.072  -1.614  1.00 34.30           H  
ATOM     66  HA  TYR A   5       6.218   7.476   0.637  1.00 61.21           H  
ATOM     67  HB2 TYR A   5       5.892   4.663  -0.075  1.00 40.41           H  
ATOM     68  HB3 TYR A   5       7.090   4.907   1.191  1.00 64.12           H  
ATOM     69  HD1 TYR A   5       3.968   6.827   0.546  1.00 51.35           H  
ATOM     70  HD2 TYR A   5       6.027   4.142   3.125  1.00 44.42           H  
ATOM     71  HE1 TYR A   5       2.164   7.046   2.203  1.00 21.33           H  
ATOM     72  HE2 TYR A   5       4.229   4.352   4.789  1.00 12.41           H  
ATOM     73  HH  TYR A   5       2.438   5.689   5.406  1.00 45.53           H  
ATOM     74  N   PRO A   6       8.724   7.135   1.221  1.00 52.44           N  
ATOM     75  CA  PRO A   6       7.945   7.368   2.441  1.00 61.43           C  
ATOM     76  C   PRO A   6       7.114   8.644   2.364  1.00 24.02           C  
ATOM     77  O   PRO A   6       6.223   8.865   3.184  1.00 40.42           O  
ATOM     78  CB  PRO A   6       9.016   7.491   3.527  1.00  4.11           C  
ATOM     79  CG  PRO A   6      10.238   7.944   2.805  1.00 61.44           C  
ATOM     80  CD  PRO A   6      10.169   7.316   1.440  1.00 33.31           C  
ATOM     81  HA  PRO A   6       7.299   6.531   2.664  1.00 55.53           H  
ATOM     82  HB2 PRO A   6       8.702   8.215   4.265  1.00 11.25           H  
ATOM     83  HB3 PRO A   6       9.169   6.532   3.998  1.00 61.41           H  
ATOM     84  HG2 PRO A   6      10.239   9.020   2.723  1.00 71.23           H  
ATOM     85  HG3 PRO A   6      11.120   7.605   3.328  1.00  1.10           H  
ATOM     86  HD2 PRO A   6      10.592   7.977   0.698  1.00 31.15           H  
ATOM     87  HD3 PRO A   6      10.680   6.364   1.436  1.00 42.51           H  
ATOM     88  N   TRP A   7       7.412   9.479   1.376  1.00 41.34           N  
ATOM     89  CA  TRP A   7       6.691  10.734   1.192  1.00  4.15           C  
ATOM     90  C   TRP A   7       5.651  10.608   0.085  1.00 21.21           C  
ATOM     91  O   TRP A   7       5.937  10.873  -1.083  1.00  5.33           O  
ATOM     92  CB  TRP A   7       7.669  11.864   0.865  1.00 53.14           C  
ATOM     93  CG  TRP A   7       7.763  12.900   1.944  1.00 61.21           C  
ATOM     94  CD1 TRP A   7       7.681  14.254   1.789  1.00  4.34           C  
ATOM     95  CD2 TRP A   7       7.959  12.665   3.343  1.00 71.55           C  
ATOM     96  NE1 TRP A   7       7.815  14.875   3.008  1.00 53.21           N  
ATOM     97  CE2 TRP A   7       7.985  13.922   3.977  1.00 41.12           C  
ATOM     98  CE3 TRP A   7       8.112  11.514   4.121  1.00  4.31           C  
ATOM     99  CZ2 TRP A   7       8.160  14.059   5.351  1.00 31.43           C  
ATOM    100  CZ3 TRP A   7       8.286  11.652   5.485  1.00 22.41           C  
ATOM    101  CH2 TRP A   7       8.308  12.916   6.089  1.00 30.31           C  
ATOM    102  H   TRP A   7       8.134   9.247   0.754  1.00 54.22           H  
ATOM    103  HA  TRP A   7       6.187  10.964   2.120  1.00 43.14           H  
ATOM    104  HB2 TRP A   7       8.654  11.448   0.715  1.00 33.11           H  
ATOM    105  HB3 TRP A   7       7.348  12.355  -0.043  1.00 11.33           H  
ATOM    106  HD1 TRP A   7       7.535  14.750   0.842  1.00  4.41           H  
ATOM    107  HE1 TRP A   7       7.790  15.844   3.158  1.00 32.33           H  
ATOM    108  HE3 TRP A   7       8.098  10.531   3.674  1.00 43.31           H  
ATOM    109  HZ2 TRP A   7       8.178  15.026   5.832  1.00 64.11           H  
ATOM    110  HZ3 TRP A   7       8.407  10.774   6.103  1.00 60.21           H  
ATOM    111  HH2 TRP A   7       8.446  12.975   7.158  1.00 45.44           H  
ATOM    112  N   CYS A   8       4.442  10.201   0.458  1.00  3.13           N  
ATOM    113  CA  CYS A   8       3.359  10.039  -0.503  1.00 53.33           C  
ATOM    114  C   CYS A   8       2.626  11.359  -0.724  1.00 52.43           C  
ATOM    115  O   CYS A   8       1.605  11.406  -1.411  1.00 12.14           O  
ATOM    116  CB  CYS A   8       2.375   8.972  -0.020  1.00 31.11           C  
ATOM    117  SG  CYS A   8       2.006   7.686  -1.256  1.00 61.04           S  
ATOM    118  H   CYS A   8       4.275  10.004   1.405  1.00 54.54           H  
ATOM    119  HA  CYS A   8       3.791   9.721  -1.440  1.00 34.53           H  
ATOM    120  HB2 CYS A   8       2.787   8.481   0.850  1.00 11.41           H  
ATOM    121  HB3 CYS A   8       1.443   9.447   0.249  1.00 42.31           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   GLY A   1       1.640   0.128   0.461  1.00 24.54           N  
ATOM      2  CA  GLY A   1       1.626  -0.033  -0.981  1.00 14.32           C  
ATOM      3  C   GLY A   1       1.373   1.274  -1.707  1.00 20.32           C  
ATOM      4  O   GLY A   1       0.536   1.341  -2.607  1.00 75.40           O  
ATOM      5  H1  GLY A   1       0.809   0.032   0.972  1.00 51.13           H  
ATOM      6  HA2 GLY A   1       2.578  -0.430  -1.298  1.00 22.43           H  
ATOM      7  HA3 GLY A   1       0.848  -0.734  -1.246  1.00 20.25           H  
ATOM      8  N   CYS A   2       2.097   2.316  -1.315  1.00  4.44           N  
ATOM      9  CA  CYS A   2       1.947   3.628  -1.932  1.00 51.41           C  
ATOM     10  C   CYS A   2       3.252   4.075  -2.586  1.00 34.14           C  
ATOM     11  O   CYS A   2       4.107   4.680  -1.940  1.00 11.45           O  
ATOM     12  CB  CYS A   2       1.507   4.658  -0.890  1.00  3.43           C  
ATOM     13  SG  CYS A   2       1.478   6.373  -1.505  1.00 21.12           S  
ATOM     14  H   CYS A   2       2.750   2.201  -0.591  1.00 73.21           H  
ATOM     15  HA  CYS A   2       1.185   3.552  -2.693  1.00 64.21           H  
ATOM     16  HB2 CYS A   2       0.510   4.414  -0.552  1.00 45.40           H  
ATOM     17  HB3 CYS A   2       2.185   4.621  -0.050  1.00  3.31           H  
ATOM     18  N   VAL A   3       3.397   3.772  -3.872  1.00 31.44           N  
ATOM     19  CA  VAL A   3       4.596   4.142  -4.614  1.00 11.32           C  
ATOM     20  C   VAL A   3       4.908   5.625  -4.449  1.00 12.53           C  
ATOM     21  O   VAL A   3       4.250   6.453  -5.077  1.00 52.13           O  
ATOM     22  CB  VAL A   3       4.449   3.824  -6.114  1.00 34.25           C  
ATOM     23  CG1 VAL A   3       5.703   4.229  -6.872  1.00  4.45           C  
ATOM     24  CG2 VAL A   3       4.147   2.347  -6.317  1.00 31.31           C  
ATOM     25  H   VAL A   3       2.680   3.288  -4.332  1.00 62.45           H  
ATOM     26  HA  VAL A   3       5.422   3.565  -4.224  1.00 52.11           H  
ATOM     27  HB  VAL A   3       3.619   4.396  -6.503  1.00 22.04           H  
ATOM     28 HG11 VAL A   3       5.833   3.581  -7.725  1.00 62.34           H  
ATOM     29 HG12 VAL A   3       5.608   5.252  -7.206  1.00 12.12           H  
ATOM     30 HG13 VAL A   3       6.561   4.142  -6.221  1.00 31.35           H  
ATOM     31 HG21 VAL A   3       4.966   1.756  -5.936  1.00 22.32           H  
ATOM     32 HG22 VAL A   3       3.241   2.089  -5.790  1.00 15.45           H  
ATOM     33 HG23 VAL A   3       4.019   2.147  -7.371  1.00 71.30           H  
HETATM   34  N   DLE A   4       5.894   5.926  -3.616  1.00 51.24           N  
HETATM   35  CA  DLE A   4       6.279   7.307  -3.381  1.00  5.20           C  
HETATM   36  CB  DLE A   4       7.250   7.785  -4.464  1.00 35.45           C  
HETATM   37  CG  DLE A   4       7.013   9.198  -5.000  1.00 71.22           C  
HETATM   38  CD1 DLE A   4       6.080   9.175  -6.213  1.00 24.32           C  
HETATM   39  CD2 DLE A   4       8.339   9.896  -5.310  1.00 32.20           C  
HETATM   40  C   DLE A   4       6.829   7.444  -1.960  1.00 32.55           C  
HETATM   41  O   DLE A   4       7.610   8.342  -1.645  1.00 30.30           O  
HETATM   42  H   DLE A   4       6.424   5.247  -3.109  1.00 61.00           H  
HETATM   43  HA  DLE A   4       5.379   7.916  -3.463  1.00 43.35           H  
HETATM   44  HB2 DLE A   4       7.202   7.087  -5.300  1.00 13.13           H  
HETATM   45  HB3 DLE A   4       8.262   7.734  -4.064  1.00  3.02           H  
HETATM   46  HG  DLE A   4       6.517   9.780  -4.224  1.00 34.45           H  
HETATM   47 HD11 DLE A   4       5.988  10.182  -6.619  1.00 74.00           H  
HETATM   48 HD12 DLE A   4       5.098   8.814  -5.909  1.00 32.42           H  
HETATM   49 HD13 DLE A   4       6.491   8.512  -6.975  1.00  2.14           H  
HETATM   50 HD21 DLE A   4       9.132   9.152  -5.387  1.00 74.35           H  
HETATM   51 HD22 DLE A   4       8.576  10.597  -4.510  1.00 13.20           H  
HETATM   52 HD23 DLE A   4       8.254  10.436  -6.253  1.00 75.41           H  
ATOM     53  N   TYR A   5       6.400   6.525  -1.101  1.00 73.14           N  
ATOM     54  CA  TYR A   5       6.830   6.520   0.292  1.00 52.32           C  
ATOM     55  C   TYR A   5       8.350   6.599   0.393  1.00 61.31           C  
ATOM     56  O   TYR A   5       9.077   6.302  -0.555  1.00 62.13           O  
ATOM     57  CB  TYR A   5       6.325   5.262   0.999  1.00 33.42           C  
ATOM     58  CG  TYR A   5       5.152   5.514   1.920  1.00 22.20           C  
ATOM     59  CD1 TYR A   5       4.107   6.344   1.534  1.00 11.02           C  
ATOM     60  CD2 TYR A   5       5.090   4.923   3.176  1.00 70.22           C  
ATOM     61  CE1 TYR A   5       3.034   6.578   2.372  1.00 31.03           C  
ATOM     62  CE2 TYR A   5       4.020   5.150   4.020  1.00 62.11           C  
ATOM     63  CZ  TYR A   5       2.995   5.978   3.614  1.00 51.22           C  
ATOM     64  OH  TYR A   5       1.928   6.208   4.452  1.00  2.12           O  
ATOM     65  H   TYR A   5       5.778   5.834  -1.411  1.00 55.23           H  
ATOM     66  HA  TYR A   5       6.403   7.388   0.774  1.00 61.24           H  
ATOM     67  HB2 TYR A   5       6.015   4.541   0.259  1.00 71.53           H  
ATOM     68  HB3 TYR A   5       7.126   4.843   1.590  1.00 64.45           H  
ATOM     69  HD1 TYR A   5       4.140   6.812   0.561  1.00  2.30           H  
ATOM     70  HD2 TYR A   5       5.895   4.275   3.491  1.00 61.20           H  
ATOM     71  HE1 TYR A   5       2.231   7.226   2.055  1.00 55.33           H  
ATOM     72  HE2 TYR A   5       3.990   4.681   4.992  1.00 33.22           H  
ATOM     73  HH  TYR A   5       1.255   5.540   4.303  1.00 14.32           H  
ATOM     74  N   PRO A   6       8.843   7.008   1.571  1.00 23.32           N  
ATOM     75  CA  PRO A   6       7.987   7.364   2.707  1.00 44.12           C  
ATOM     76  C   PRO A   6       7.218   8.659   2.469  1.00 74.34           C  
ATOM     77  O   PRO A   6       6.278   8.976   3.198  1.00 41.10           O  
ATOM     78  CB  PRO A   6       8.980   7.537   3.859  1.00 64.21           C  
ATOM     79  CG  PRO A   6      10.269   7.887   3.199  1.00 63.22           C  
ATOM     80  CD  PRO A   6      10.274   7.154   1.886  1.00 44.24           C  
ATOM     81  HA  PRO A   6       7.293   6.572   2.944  1.00 75.21           H  
ATOM     82  HB2 PRO A   6       8.643   8.328   4.513  1.00 53.51           H  
ATOM     83  HB3 PRO A   6       9.059   6.613   4.413  1.00 52.52           H  
ATOM     84  HG2 PRO A   6      10.320   8.952   3.034  1.00  1.21           H  
ATOM     85  HG3 PRO A   6      11.096   7.561   3.813  1.00 70.44           H  
ATOM     86  HD2 PRO A   6      10.777   7.739   1.130  1.00 65.55           H  
ATOM     87  HD3 PRO A   6      10.745   6.188   1.994  1.00  4.32           H  
ATOM     88  N   TRP A   7       7.621   9.401   1.444  1.00  1.32           N  
ATOM     89  CA  TRP A   7       6.968  10.662   1.110  1.00 31.11           C  
ATOM     90  C   TRP A   7       6.007  10.484  -0.060  1.00 62.33           C  
ATOM     91  O   TRP A   7       6.389  10.645  -1.220  1.00 21.11           O  
ATOM     92  CB  TRP A   7       8.012  11.727   0.771  1.00 21.13           C  
ATOM     93  CG  TRP A   7       8.070  12.842   1.771  1.00 33.35           C  
ATOM     94  CD1 TRP A   7       8.055  14.181   1.507  1.00  1.52           C  
ATOM     95  CD2 TRP A   7       8.153  12.712   3.195  1.00 52.40           C  
ATOM     96  NE1 TRP A   7       8.124  14.893   2.681  1.00 63.03           N  
ATOM     97  CE2 TRP A   7       8.184  14.015   3.730  1.00  2.04           C  
ATOM     98  CE3 TRP A   7       8.202  11.624   4.069  1.00 33.44           C  
ATOM     99  CZ2 TRP A   7       8.263  14.255   5.100  1.00 64.14           C  
ATOM    100  CZ3 TRP A   7       8.281  11.863   5.428  1.00 13.40           C  
ATOM    101  CH2 TRP A   7       8.310  13.170   5.933  1.00 41.34           C  
ATOM    102  H   TRP A   7       8.376   9.095   0.899  1.00 23.02           H  
ATOM    103  HA  TRP A   7       6.407  10.983   1.975  1.00 21.05           H  
ATOM    104  HB2 TRP A   7       8.987  11.266   0.730  1.00 65.31           H  
ATOM    105  HB3 TRP A   7       7.779  12.155  -0.193  1.00 30.10           H  
ATOM    106  HD1 TRP A   7       7.999  14.605   0.516  1.00 23.01           H  
ATOM    107  HE1 TRP A   7       8.128  15.871   2.754  1.00 63.35           H  
ATOM    108  HE3 TRP A   7       8.180  10.609   3.700  1.00 60.03           H  
ATOM    109  HZ2 TRP A   7       8.286  15.256   5.504  1.00  4.41           H  
ATOM    110  HZ3 TRP A   7       8.320  11.034   6.119  1.00 11.22           H  
ATOM    111  HH2 TRP A   7       8.372  13.310   7.001  1.00 44.43           H  
ATOM    112  N   CYS A   8       4.759  10.151   0.250  1.00 72.52           N  
ATOM    113  CA  CYS A   8       3.743   9.950  -0.776  1.00 51.23           C  
ATOM    114  C   CYS A   8       3.083  11.273  -1.154  1.00 41.22           C  
ATOM    115  O   CYS A   8       2.378  11.879  -0.347  1.00  1.01           O  
ATOM    116  CB  CYS A   8       2.683   8.960  -0.288  1.00 43.31           C  
ATOM    117  SG  CYS A   8       2.353   7.593  -1.446  1.00 41.42           S  
ATOM    118  H   CYS A   8       4.514  10.036   1.193  1.00 44.11           H  
ATOM    119  HA  CYS A   8       4.229   9.542  -1.649  1.00 52.25           H  
ATOM    120  HB2 CYS A   8       3.010   8.527   0.646  1.00 60.21           H  
ATOM    121  HB3 CYS A   8       1.755   9.488  -0.129  1.00 12.35           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   GLY A   1       3.334  -0.508  -1.076  1.00 62.32           N  
ATOM      2  CA  GLY A   1       1.964  -0.035  -1.129  1.00 55.54           C  
ATOM      3  C   GLY A   1       1.826   1.255  -1.915  1.00 33.50           C  
ATOM      4  O   GLY A   1       1.648   1.232  -3.133  1.00 70.03           O  
ATOM      5  H1  GLY A   1       3.594  -1.309  -1.578  1.00 74.13           H  
ATOM      6  HA2 GLY A   1       1.350  -0.793  -1.592  1.00 34.15           H  
ATOM      7  HA3 GLY A   1       1.613   0.133  -0.121  1.00 63.14           H  
ATOM      8  N   CYS A   2       1.906   2.382  -1.217  1.00 10.40           N  
ATOM      9  CA  CYS A   2       1.787   3.688  -1.856  1.00 31.55           C  
ATOM     10  C   CYS A   2       3.100   4.089  -2.522  1.00 33.20           C  
ATOM     11  O   CYS A   2       3.973   4.683  -1.890  1.00 42.21           O  
ATOM     12  CB  CYS A   2       1.379   4.746  -0.829  1.00 23.25           C  
ATOM     13  SG  CYS A   2       1.391   6.450  -1.472  1.00 74.13           S  
ATOM     14  H   CYS A   2       2.049   2.336  -0.248  1.00 14.14           H  
ATOM     15  HA  CYS A   2       1.020   3.618  -2.612  1.00  1.41           H  
ATOM     16  HB2 CYS A   2       0.378   4.533  -0.482  1.00  5.12           H  
ATOM     17  HB3 CYS A   2       2.061   4.705   0.008  1.00 13.44           H  
ATOM     18  N   VAL A   3       3.231   3.760  -3.803  1.00 64.41           N  
ATOM     19  CA  VAL A   3       4.436   4.086  -4.556  1.00 42.45           C  
ATOM     20  C   VAL A   3       4.787   5.563  -4.418  1.00 41.52           C  
ATOM     21  O   VAL A   3       4.148   6.397  -5.058  1.00 52.10           O  
ATOM     22  CB  VAL A   3       4.274   3.746  -6.050  1.00 12.31           C  
ATOM     23  CG1 VAL A   3       5.562   4.034  -6.806  1.00 72.23           C  
ATOM     24  CG2 VAL A   3       3.857   2.293  -6.223  1.00  3.42           C  
ATOM     25  H   VAL A   3       2.500   3.286  -4.253  1.00  5.45           H  
ATOM     26  HA  VAL A   3       5.249   3.495  -4.160  1.00 74.43           H  
ATOM     27  HB  VAL A   3       3.495   4.373  -6.459  1.00 11.25           H  
ATOM     28 HG11 VAL A   3       5.403   3.871  -7.862  1.00 54.13           H  
ATOM     29 HG12 VAL A   3       5.857   5.059  -6.639  1.00 54.41           H  
ATOM     30 HG13 VAL A   3       6.341   3.373  -6.455  1.00 14.13           H  
ATOM     31 HG21 VAL A   3       3.835   1.808  -5.259  1.00 25.52           H  
ATOM     32 HG22 VAL A   3       2.875   2.252  -6.670  1.00  3.11           H  
ATOM     33 HG23 VAL A   3       4.566   1.789  -6.864  1.00 10.01           H  
HETATM   34  N   DLE A   4       5.785   5.853  -3.595  1.00 74.34           N  
HETATM   35  CA  DLE A   4       6.207   7.227  -3.385  1.00 71.03           C  
HETATM   36  CB  DLE A   4       7.184   7.661  -4.480  1.00 72.40           C  
HETATM   37  CG  DLE A   4       6.797   8.916  -5.265  1.00 64.20           C  
HETATM   38  CD1 DLE A   4       7.830   9.222  -6.352  1.00 10.55           C  
HETATM   39  CD2 DLE A   4       6.583  10.105  -4.327  1.00 35.15           C  
HETATM   40  C   DLE A   4       6.766   7.373  -1.969  1.00  4.12           C  
HETATM   41  O   DLE A   4       7.573   8.256  -1.673  1.00 74.52           O  
HETATM   42  H   DLE A   4       6.299   5.169  -3.079  1.00 25.43           H  
HETATM   43  HA  DLE A   4       5.323   7.858  -3.474  1.00 75.23           H  
HETATM   44  HB2 DLE A   4       7.298   6.837  -5.184  1.00 65.44           H  
HETATM   45  HB3 DLE A   4       8.159   7.828  -4.023  1.00 64.45           H  
HETATM   46  HG  DLE A   4       5.849   8.726  -5.767  1.00 14.30           H  
HETATM   47 HD11 DLE A   4       7.461   8.867  -7.314  1.00  1.42           H  
HETATM   48 HD12 DLE A   4       8.768   8.720  -6.114  1.00 34.10           H  
HETATM   49 HD13 DLE A   4       7.997  10.299  -6.401  1.00 31.51           H  
HETATM   50 HD21 DLE A   4       5.583  10.050  -3.894  1.00  5.40           H  
HETATM   51 HD22 DLE A   4       6.685  11.034  -4.888  1.00 24.24           H  
HETATM   52 HD23 DLE A   4       7.326  10.078  -3.530  1.00 34.35           H  
ATOM     53  N   TYR A   5       6.317   6.481  -1.093  1.00  2.10           N  
ATOM     54  CA  TYR A   5       6.754   6.489   0.298  1.00 13.12           C  
ATOM     55  C   TYR A   5       8.276   6.529   0.391  1.00 10.34           C  
ATOM     56  O   TYR A   5       8.991   6.197  -0.555  1.00 14.33           O  
ATOM     57  CB  TYR A   5       6.219   5.256   1.029  1.00  3.44           C  
ATOM     58  CG  TYR A   5       5.058   5.555   1.951  1.00 61.14           C  
ATOM     59  CD1 TYR A   5       4.034   6.408   1.556  1.00 63.51           C  
ATOM     60  CD2 TYR A   5       4.985   4.985   3.216  1.00 40.52           C  
ATOM     61  CE1 TYR A   5       2.972   6.684   2.394  1.00 33.14           C  
ATOM     62  CE2 TYR A   5       3.926   5.255   4.060  1.00 35.12           C  
ATOM     63  CZ  TYR A   5       2.922   6.105   3.645  1.00 34.22           C  
ATOM     64  OH  TYR A   5       1.865   6.377   4.484  1.00 22.21           O  
ATOM     65  H   TYR A   5       5.676   5.802  -1.388  1.00 74.13           H  
ATOM     66  HA  TYR A   5       6.352   7.376   0.767  1.00 61.42           H  
ATOM     67  HB2 TYR A   5       5.887   4.531   0.303  1.00 42.12           H  
ATOM     68  HB3 TYR A   5       7.013   4.827   1.623  1.00 35.34           H  
ATOM     69  HD1 TYR A   5       4.076   6.860   0.575  1.00 23.45           H  
ATOM     70  HD2 TYR A   5       5.773   4.320   3.538  1.00 44.52           H  
ATOM     71  HE1 TYR A   5       2.185   7.349   2.070  1.00 41.12           H  
ATOM     72  HE2 TYR A   5       3.886   4.802   5.040  1.00 63.11           H  
ATOM     73  HH  TYR A   5       1.586   7.287   4.362  1.00 51.23           H  
ATOM     74  N   PRO A   6       8.785   6.945   1.560  1.00  3.34           N  
ATOM     75  CA  PRO A   6       7.945   7.343   2.693  1.00 15.52           C  
ATOM     76  C   PRO A   6       7.208   8.653   2.436  1.00 13.51           C  
ATOM     77  O   PRO A   6       6.280   9.008   3.164  1.00 24.00           O  
ATOM     78  CB  PRO A   6       8.947   7.510   3.838  1.00 61.31           C  
ATOM     79  CG  PRO A   6      10.242   7.814   3.166  1.00 14.44           C  
ATOM     80  CD  PRO A   6      10.221   7.060   1.866  1.00 22.40           C  
ATOM     81  HA  PRO A   6       7.230   6.574   2.947  1.00 62.10           H  
ATOM     82  HB2 PRO A   6       8.633   8.321   4.480  1.00 43.14           H  
ATOM     83  HB3 PRO A   6       9.004   6.594   4.407  1.00 11.33           H  
ATOM     84  HG2 PRO A   6      10.319   8.875   2.983  1.00  5.21           H  
ATOM     85  HG3 PRO A   6      11.062   7.477   3.782  1.00  3.21           H  
ATOM     86  HD2 PRO A   6      10.736   7.617   1.098  1.00 51.52           H  
ATOM     87  HD3 PRO A   6      10.667   6.084   1.989  1.00 23.32           H  
ATOM     88  N   TRP A   7       7.626   9.367   1.397  1.00 15.52           N  
ATOM     89  CA  TRP A   7       7.004  10.639   1.044  1.00 31.12           C  
ATOM     90  C   TRP A   7       6.034  10.466  -0.119  1.00 41.15           C  
ATOM     91  O   TRP A   7       6.415  10.599  -1.283  1.00 12.21           O  
ATOM     92  CB  TRP A   7       8.074  11.671   0.684  1.00 61.54           C  
ATOM     93  CG  TRP A   7       8.164  12.800   1.664  1.00  3.42           C  
ATOM     94  CD1 TRP A   7       8.183  14.135   1.377  1.00 42.41           C  
ATOM     95  CD2 TRP A   7       8.250  12.693   3.089  1.00 11.44           C  
ATOM     96  NE1 TRP A   7       8.275  14.865   2.538  1.00 64.23           N  
ATOM     97  CE2 TRP A   7       8.317  14.004   3.602  1.00 31.32           C  
ATOM     98  CE3 TRP A   7       8.274  11.619   3.982  1.00 23.22           C  
ATOM     99  CZ2 TRP A   7       8.408  14.265   4.967  1.00 71.13           C  
ATOM    100  CZ3 TRP A   7       8.365  11.880   5.336  1.00 30.42           C  
ATOM    101  CH2 TRP A   7       8.430  13.194   5.818  1.00 21.21           C  
ATOM    102  H   TRP A   7       8.370   9.032   0.854  1.00 13.23           H  
ATOM    103  HA  TRP A   7       6.455  10.989   1.906  1.00  2.11           H  
ATOM    104  HB2 TRP A   7       9.037  11.184   0.647  1.00 71.52           H  
ATOM    105  HB3 TRP A   7       7.848  12.088  -0.287  1.00 63.22           H  
ATOM    106  HD1 TRP A   7       8.134  14.543   0.379  1.00 42.21           H  
ATOM    107  HE1 TRP A   7       8.305  15.843   2.594  1.00 52.23           H  
ATOM    108  HE3 TRP A   7       8.225  10.599   3.630  1.00 21.11           H  
ATOM    109  HZ2 TRP A   7       8.458  15.272   5.354  1.00 43.22           H  
ATOM    110  HZ3 TRP A   7       8.386  11.062   6.041  1.00 33.34           H  
ATOM    111  HH2 TRP A   7       8.500  13.351   6.883  1.00 23.54           H  
ATOM    112  N   CYS A   8       4.779  10.169   0.201  1.00 41.21           N  
ATOM    113  CA  CYS A   8       3.754   9.978  -0.818  1.00 21.00           C  
ATOM    114  C   CYS A   8       3.128  11.311  -1.217  1.00  1.32           C  
ATOM    115  O   CYS A   8       3.706  12.373  -0.985  1.00 43.23           O  
ATOM    116  CB  CYS A   8       2.671   9.025  -0.309  1.00 15.54           C  
ATOM    117  SG  CYS A   8       2.301   7.646  -1.440  1.00 41.41           S  
ATOM    118  H   CYS A   8       4.536  10.076   1.147  1.00 51.04           H  
ATOM    119  HA  CYS A   8       4.226   9.542  -1.685  1.00 75.05           H  
ATOM    120  HB2 CYS A   8       2.989   8.601   0.632  1.00 32.15           H  
ATOM    121  HB3 CYS A   8       1.757   9.580  -0.156  1.00 53.44           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   GLY A   1       2.830  -0.865  -2.073  1.00 43.11           N  
ATOM      2  CA  GLY A   1       1.935  -0.069  -1.254  1.00 21.13           C  
ATOM      3  C   GLY A   1       1.579   1.254  -1.901  1.00 55.14           C  
ATOM      4  O   GLY A   1       0.866   1.291  -2.905  1.00 60.41           O  
ATOM      5  H1  GLY A   1       3.733  -1.071  -1.751  1.00 72.21           H  
ATOM      6  HA2 GLY A   1       1.028  -0.630  -1.081  1.00 45.24           H  
ATOM      7  HA3 GLY A   1       2.412   0.125  -0.304  1.00 40.32           H  
ATOM      8  N   CYS A   2       2.073   2.345  -1.326  1.00 62.01           N  
ATOM      9  CA  CYS A   2       1.802   3.677  -1.852  1.00 14.43           C  
ATOM     10  C   CYS A   2       3.020   4.233  -2.583  1.00 25.32           C  
ATOM     11  O   CYS A   2       3.894   4.852  -1.975  1.00 52.00           O  
ATOM     12  CB  CYS A   2       1.398   4.623  -0.719  1.00 23.05           C  
ATOM     13  SG  CYS A   2       1.225   6.363  -1.228  1.00 42.34           S  
ATOM     14  H   CYS A   2       2.635   2.252  -0.528  1.00 22.25           H  
ATOM     15  HA  CYS A   2       0.983   3.598  -2.551  1.00 22.01           H  
ATOM     16  HB2 CYS A   2       0.448   4.304  -0.315  1.00 25.24           H  
ATOM     17  HB3 CYS A   2       2.147   4.580   0.059  1.00 14.40           H  
ATOM     18  N   VAL A   3       3.072   4.007  -3.892  1.00 24.53           N  
ATOM     19  CA  VAL A   3       4.183   4.485  -4.707  1.00 33.23           C  
ATOM     20  C   VAL A   3       4.428   5.973  -4.482  1.00 60.34           C  
ATOM     21  O   VAL A   3       3.676   6.793  -5.006  1.00 73.00           O  
ATOM     22  CB  VAL A   3       3.926   4.238  -6.205  1.00 51.33           C  
ATOM     23  CG1 VAL A   3       5.143   4.634  -7.028  1.00 14.11           C  
ATOM     24  CG2 VAL A   3       3.557   2.783  -6.450  1.00 23.22           C  
ATOM     25  H   VAL A   3       2.346   3.507  -4.319  1.00 62.45           H  
ATOM     26  HA  VAL A   3       5.068   3.936  -4.420  1.00  2.53           H  
ATOM     27  HB  VAL A   3       3.094   4.855  -6.514  1.00 25.04           H  
ATOM     28 HG11 VAL A   3       5.126   5.700  -7.204  1.00 23.30           H  
ATOM     29 HG12 VAL A   3       6.042   4.370  -6.491  1.00 51.20           H  
ATOM     30 HG13 VAL A   3       5.122   4.114  -7.974  1.00 72.51           H  
ATOM     31 HG21 VAL A   3       4.080   2.155  -5.744  1.00  1.01           H  
ATOM     32 HG22 VAL A   3       2.492   2.656  -6.325  1.00 42.22           H  
ATOM     33 HG23 VAL A   3       3.837   2.504  -7.455  1.00 64.04           H  
HETATM   34  N   DLE A   4       5.464   6.285  -3.718  1.00 10.50           N  
HETATM   35  CA  DLE A   4       5.794   7.672  -3.436  1.00 21.04           C  
HETATM   36  CB  DLE A   4       6.641   8.262  -4.565  1.00 23.31           C  
HETATM   37  CG  DLE A   4       8.023   7.636  -4.764  1.00 23.13           C  
HETATM   38  CD1 DLE A   4       9.100   8.440  -4.032  1.00 53.23           C  
HETATM   39  CD2 DLE A   4       8.342   7.472  -6.251  1.00 70.21           C  
HETATM   40  C   DLE A   4       6.455   7.764  -2.059  1.00 12.23           C  
HETATM   41  O   DLE A   4       7.211   8.688  -1.758  1.00 50.21           O  
HETATM   42  H   DLE A   4       6.071   5.612  -3.296  1.00 10.11           H  
HETATM   43  HA  DLE A   4       4.859   8.231  -3.408  1.00 40.43           H  
HETATM   44  HB2 DLE A   4       6.771   9.328  -4.377  1.00 33.42           H  
HETATM   45  HB3 DLE A   4       6.084   8.168  -5.497  1.00 63.01           H  
HETATM   46  HG  DLE A   4       8.013   6.638  -4.325  1.00 11.32           H  
HETATM   47 HD11 DLE A   4       9.515   7.839  -3.223  1.00 41.42           H  
HETATM   48 HD12 DLE A   4       8.658   9.348  -3.621  1.00 44.11           H  
HETATM   49 HD13 DLE A   4       9.893   8.706  -4.731  1.00 54.14           H  
HETATM   50 HD21 DLE A   4       7.424   7.258  -6.798  1.00 34.30           H  
HETATM   51 HD22 DLE A   4       9.044   6.649  -6.384  1.00 20.54           H  
HETATM   52 HD23 DLE A   4       8.785   8.392  -6.631  1.00 42.15           H  
ATOM     53  N   TYR A   5       6.150   6.778  -1.223  1.00 22.03           N  
ATOM     54  CA  TYR A   5       6.697   6.724   0.128  1.00 45.33           C  
ATOM     55  C   TYR A   5       8.214   6.885   0.108  1.00 45.04           C  
ATOM     56  O   TYR A   5       8.873   6.682  -0.913  1.00 33.52           O  
ATOM     57  CB  TYR A   5       6.322   5.403   0.800  1.00 23.34           C  
ATOM     58  CG  TYR A   5       5.221   5.537   1.828  1.00 50.44           C  
ATOM     59  CD1 TYR A   5       4.105   6.327   1.579  1.00 71.14           C  
ATOM     60  CD2 TYR A   5       5.297   4.876   3.047  1.00 14.11           C  
ATOM     61  CE1 TYR A   5       3.096   6.454   2.514  1.00 24.52           C  
ATOM     62  CE2 TYR A   5       4.292   4.996   3.988  1.00 62.31           C  
ATOM     63  CZ  TYR A   5       3.194   5.786   3.717  1.00 24.40           C  
ATOM     64  OH  TYR A   5       2.192   5.909   4.652  1.00 25.52           O  
ATOM     65  H   TYR A   5       5.542   6.070  -1.520  1.00 34.22           H  
ATOM     66  HA  TYR A   5       6.268   7.539   0.692  1.00 31.13           H  
ATOM     67  HB2 TYR A   5       5.989   4.705   0.048  1.00 42.24           H  
ATOM     68  HB3 TYR A   5       7.193   5.000   1.298  1.00 53.14           H  
ATOM     69  HD1 TYR A   5       4.031   6.849   0.635  1.00 30.24           H  
ATOM     70  HD2 TYR A   5       6.158   4.259   3.256  1.00 21.52           H  
ATOM     71  HE1 TYR A   5       2.236   7.072   2.302  1.00 24.35           H  
ATOM     72  HE2 TYR A   5       4.369   4.473   4.930  1.00 11.31           H  
ATOM     73  HH  TYR A   5       2.304   6.732   5.134  1.00 73.42           H  
ATOM     74  N   PRO A   6       8.784   7.259   1.263  1.00 61.20           N  
ATOM     75  CA  PRO A   6       8.011   7.504   2.484  1.00 53.52           C  
ATOM     76  C   PRO A   6       7.156   8.763   2.385  1.00 55.11           C  
ATOM     77  O   PRO A   6       6.266   8.987   3.206  1.00 25.34           O  
ATOM     78  CB  PRO A   6       9.088   7.673   3.558  1.00 32.12           C  
ATOM     79  CG  PRO A   6      10.295   8.131   2.816  1.00 42.44           C  
ATOM     80  CD  PRO A   6      10.227   7.471   1.466  1.00 10.04           C  
ATOM     81  HA  PRO A   6       7.382   6.662   2.731  1.00 33.22           H  
ATOM     82  HB2 PRO A   6       8.766   8.408   4.282  1.00 34.14           H  
ATOM     83  HB3 PRO A   6       9.262   6.728   4.050  1.00 62.44           H  
ATOM     84  HG2 PRO A   6      10.275   9.205   2.709  1.00  0.20           H  
ATOM     85  HG3 PRO A   6      11.187   7.822   3.339  1.00 24.53           H  
ATOM     86  HD2 PRO A   6      10.632   8.123   0.706  1.00 31.34           H  
ATOM     87  HD3 PRO A   6      10.756   6.530   1.480  1.00 63.42           H  
ATOM     88  N   TRP A   7       7.430   9.581   1.375  1.00 32.11           N  
ATOM     89  CA  TRP A   7       6.684  10.817   1.169  1.00  3.52           C  
ATOM     90  C   TRP A   7       5.638  10.646   0.073  1.00  3.52           C  
ATOM     91  O   TRP A   7       5.911  10.890  -1.103  1.00  2.03           O  
ATOM     92  CB  TRP A   7       7.638  11.958   0.808  1.00 34.21           C  
ATOM     93  CG  TRP A   7       7.720  13.020   1.863  1.00 70.44           C  
ATOM     94  CD1 TRP A   7       7.611  14.368   1.678  1.00 45.42           C  
ATOM     95  CD2 TRP A   7       7.930  12.820   3.265  1.00 42.43           C  
ATOM     96  NE1 TRP A   7       7.742  15.020   2.881  1.00 73.34           N  
ATOM     97  CE2 TRP A   7       7.937  14.093   3.870  1.00 61.52           C  
ATOM     98  CE3 TRP A   7       8.111  11.692   4.068  1.00 22.43           C  
ATOM     99  CZ2 TRP A   7       8.119  14.264   5.239  1.00  2.04           C  
ATOM    100  CZ3 TRP A   7       8.292  11.863   5.427  1.00  1.54           C  
ATOM    101  CH2 TRP A   7       8.294  13.141   6.002  1.00  2.42           C  
ATOM    102  H   TRP A   7       8.151   9.348   0.753  1.00 73.01           H  
ATOM    103  HA  TRP A   7       6.183  11.059   2.095  1.00 52.12           H  
ATOM    104  HB2 TRP A   7       8.629  11.557   0.661  1.00 62.22           H  
ATOM    105  HB3 TRP A   7       7.301  12.422  -0.108  1.00 21.22           H  
ATOM    106  HD1 TRP A   7       7.449  14.840   0.721  1.00 63.35           H  
ATOM    107  HE1 TRP A   7       7.699  15.991   3.009  1.00 65.20           H  
ATOM    108  HE3 TRP A   7       8.113  10.698   3.644  1.00 54.41           H  
ATOM    109  HZ2 TRP A   7       8.123  15.242   5.698  1.00 53.34           H  
ATOM    110  HZ3 TRP A   7       8.434  11.003   6.064  1.00 30.43           H  
ATOM    111  HH2 TRP A   7       8.439  13.228   7.068  1.00 42.41           H  
ATOM    112  N   CYS A   8       4.440  10.227   0.465  1.00 20.50           N  
ATOM    113  CA  CYS A   8       3.352  10.023  -0.484  1.00 65.42           C  
ATOM    114  C   CYS A   8       2.592  11.323  -0.728  1.00 44.21           C  
ATOM    115  O   CYS A   8       2.767  12.301  -0.001  1.00 32.14           O  
ATOM    116  CB  CYS A   8       2.393   8.947   0.030  1.00  4.33           C  
ATOM    117  SG  CYS A   8       2.043   7.626  -1.174  1.00 15.22           S  
ATOM    118  H   CYS A   8       4.283  10.049   1.417  1.00 71.11           H  
ATOM    119  HA  CYS A   8       3.783   9.692  -1.417  1.00 25.22           H  
ATOM    120  HB2 CYS A   8       2.821   8.485   0.908  1.00 13.35           H  
ATOM    121  HB3 CYS A   8       1.454   9.410   0.295  1.00 41.25           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   GLY A   1       1.138  -0.682  -0.691  1.00 15.51           N  
ATOM      2  CA  GLY A   1       2.220  -0.137  -1.490  1.00 75.24           C  
ATOM      3  C   GLY A   1       1.866   1.200  -2.110  1.00  5.30           C  
ATOM      4  O   GLY A   1       1.247   1.257  -3.173  1.00 32.34           O  
ATOM      5  H1  GLY A   1       0.420  -1.191  -1.123  1.00 23.32           H  
ATOM      6  HA2 GLY A   1       3.089  -0.013  -0.863  1.00 22.24           H  
ATOM      7  HA3 GLY A   1       2.455  -0.836  -2.280  1.00 53.41           H  
ATOM      8  N   CYS A   2       2.260   2.281  -1.444  1.00 53.14           N  
ATOM      9  CA  CYS A   2       1.980   3.625  -1.934  1.00 53.42           C  
ATOM     10  C   CYS A   2       3.213   4.230  -2.598  1.00 43.34           C  
ATOM     11  O   CYS A   2       4.035   4.869  -1.941  1.00 64.13           O  
ATOM     12  CB  CYS A   2       1.514   4.522  -0.786  1.00 12.52           C  
ATOM     13  SG  CYS A   2       1.323   6.276  -1.242  1.00 71.32           S  
ATOM     14  H   CYS A   2       2.751   2.172  -0.602  1.00 54.22           H  
ATOM     15  HA  CYS A   2       1.190   3.554  -2.667  1.00  3.12           H  
ATOM     16  HB2 CYS A   2       0.556   4.170  -0.430  1.00 43.40           H  
ATOM     17  HB3 CYS A   2       2.233   4.468   0.018  1.00 32.21           H  
ATOM     18  N   VAL A   3       3.335   4.025  -3.906  1.00 64.40           N  
ATOM     19  CA  VAL A   3       4.467   4.550  -4.660  1.00 40.22           C  
ATOM     20  C   VAL A   3       4.652   6.042  -4.405  1.00 60.14           C  
ATOM     21  O   VAL A   3       3.841   6.838  -4.875  1.00 14.45           O  
ATOM     22  CB  VAL A   3       4.291   4.317  -6.172  1.00 74.14           C  
ATOM     23  CG1 VAL A   3       4.560   2.862  -6.523  1.00 61.44           C  
ATOM     24  CG2 VAL A   3       2.896   4.731  -6.616  1.00 12.41           C  
ATOM     25  H   VAL A   3       2.647   3.508  -4.375  1.00 24.53           H  
ATOM     26  HA  VAL A   3       5.355   4.027  -4.338  1.00 24.33           H  
ATOM     27  HB  VAL A   3       5.009   4.930  -6.697  1.00 22.51           H  
ATOM     28 HG11 VAL A   3       4.519   2.737  -7.596  1.00 21.24           H  
ATOM     29 HG12 VAL A   3       5.539   2.579  -6.164  1.00 12.51           H  
ATOM     30 HG13 VAL A   3       3.812   2.235  -6.060  1.00 52.42           H  
ATOM     31 HG21 VAL A   3       2.967   5.355  -7.494  1.00 43.33           H  
ATOM     32 HG22 VAL A   3       2.315   3.850  -6.846  1.00  3.44           H  
ATOM     33 HG23 VAL A   3       2.414   5.283  -5.821  1.00 72.34           H  
HETATM   34  N   DLE A   4       5.704   6.384  -3.676  1.00 41.13           N  
HETATM   35  CA  DLE A   4       5.981   7.777  -3.370  1.00 11.22           C  
HETATM   36  CB  DLE A   4       6.818   8.414  -4.481  1.00 12.21           C  
HETATM   37  CG  DLE A   4       8.051   7.626  -4.927  1.00 41.24           C  
HETATM   38  CD1 DLE A   4       9.225   8.563  -5.216  1.00 44.33           C  
HETATM   39  CD2 DLE A   4       7.725   6.730  -6.124  1.00 24.44           C  
HETATM   40  C   DLE A   4       6.624   7.872  -1.985  1.00 14.15           C  
HETATM   41  O   DLE A   4       7.335   8.823  -1.659  1.00 21.31           O  
HETATM   42  H   DLE A   4       6.359   5.730  -3.298  1.00 63.04           H  
HETATM   43  HA  DLE A   4       5.026   8.302  -3.344  1.00 50.13           H  
HETATM   44  HB2 DLE A   4       7.142   9.399  -4.145  1.00  4.00           H  
HETATM   45  HB3 DLE A   4       6.176   8.569  -5.348  1.00 63.25           H  
HETATM   46  HG  DLE A   4       8.354   6.973  -4.109  1.00  1.42           H  
HETATM   47 HD11 DLE A   4      10.163   8.034  -5.045  1.00 11.40           H  
HETATM   48 HD12 DLE A   4       9.171   9.429  -4.556  1.00 34.10           H  
HETATM   49 HD13 DLE A   4       9.179   8.894  -6.254  1.00  3.42           H  
HETATM   50 HD21 DLE A   4       7.605   5.701  -5.784  1.00 62.34           H  
HETATM   51 HD22 DLE A   4       8.538   6.781  -6.848  1.00 23.21           H  
HETATM   52 HD23 DLE A   4       6.801   7.069  -6.591  1.00 33.44           H  
ATOM     53  N   TYR A   5       6.355   6.858  -1.170  1.00 61.44           N  
ATOM     54  CA  TYR A   5       6.891   6.802   0.184  1.00  1.35           C  
ATOM     55  C   TYR A   5       8.399   7.031   0.183  1.00  5.23           C  
ATOM     56  O   TYR A   5       9.076   6.877  -0.834  1.00 10.52           O  
ATOM     57  CB  TYR A   5       6.569   5.452   0.828  1.00 45.40           C  
ATOM     58  CG  TYR A   5       5.453   5.517   1.846  1.00 50.45           C  
ATOM     59  CD1 TYR A   5       4.303   6.258   1.598  1.00 63.42           C  
ATOM     60  CD2 TYR A   5       5.548   4.840   3.055  1.00 71.23           C  
ATOM     61  CE1 TYR A   5       3.281   6.321   2.525  1.00 71.53           C  
ATOM     62  CE2 TYR A   5       4.530   4.896   3.987  1.00 72.23           C  
ATOM     63  CZ  TYR A   5       3.399   5.638   3.717  1.00 34.43           C  
ATOM     64  OH  TYR A   5       2.383   5.697   4.644  1.00 52.12           O  
ATOM     65  H   TYR A   5       5.781   6.129  -1.487  1.00 64.00           H  
ATOM     66  HA  TYR A   5       6.420   7.586   0.760  1.00 71.41           H  
ATOM     67  HB2 TYR A   5       6.276   4.755   0.059  1.00 52.35           H  
ATOM     68  HB3 TYR A   5       7.452   5.080   1.327  1.00 62.21           H  
ATOM     69  HD1 TYR A   5       4.214   6.791   0.663  1.00 40.43           H  
ATOM     70  HD2 TYR A   5       6.436   4.260   3.263  1.00 54.04           H  
ATOM     71  HE1 TYR A   5       2.395   6.901   2.314  1.00 13.02           H  
ATOM     72  HE2 TYR A   5       4.622   4.362   4.921  1.00 70.42           H  
ATOM     73  HH  TYR A   5       1.774   6.401   4.406  1.00 22.33           H  
ATOM     74  N   PRO A   6       8.941   7.408   1.351  1.00 34.45           N  
ATOM     75  CA  PRO A   6       8.145   7.594   2.569  1.00 42.44           C  
ATOM     76  C   PRO A   6       7.235   8.815   2.485  1.00 42.12           C  
ATOM     77  O   PRO A   6       6.329   8.982   3.301  1.00  2.51           O  
ATOM     78  CB  PRO A   6       9.203   7.790   3.657  1.00 23.03           C  
ATOM     79  CG  PRO A   6      10.396   8.317   2.936  1.00 31.52           C  
ATOM     80  CD  PRO A   6      10.370   7.680   1.574  1.00 44.30           C  
ATOM     81  HA  PRO A   6       7.552   6.720   2.793  1.00 25.33           H  
ATOM     82  HB2 PRO A   6       8.841   8.495   4.392  1.00 44.51           H  
ATOM     83  HB3 PRO A   6       9.415   6.844   4.132  1.00  4.03           H  
ATOM     84  HG2 PRO A   6      10.328   9.390   2.850  1.00 44.31           H  
ATOM     85  HG3 PRO A   6      11.296   8.037   3.463  1.00 21.22           H  
ATOM     86  HD2 PRO A   6      10.753   8.364   0.831  1.00 52.22           H  
ATOM     87  HD3 PRO A   6      10.941   6.763   1.575  1.00  4.40           H  
ATOM     88  N   TRP A   7       7.482   9.664   1.494  1.00 70.13           N  
ATOM     89  CA  TRP A   7       6.684  10.870   1.304  1.00 75.43           C  
ATOM     90  C   TRP A   7       5.659  10.675   0.191  1.00 25.41           C  
ATOM     91  O   TRP A   7       5.935  10.955  -0.976  1.00 12.11           O  
ATOM     92  CB  TRP A   7       7.588  12.059   0.978  1.00  3.12           C  
ATOM     93  CG  TRP A   7       7.608  13.102   2.054  1.00  4.13           C  
ATOM     94  CD1 TRP A   7       7.440  14.448   1.895  1.00 72.14           C  
ATOM     95  CD2 TRP A   7       7.810  12.884   3.455  1.00 43.51           C  
ATOM     96  NE1 TRP A   7       7.525  15.080   3.112  1.00 51.13           N  
ATOM     97  CE2 TRP A   7       7.751  14.143   4.085  1.00 52.01           C  
ATOM     98  CE3 TRP A   7       8.033  11.749   4.238  1.00  5.15           C  
ATOM     99  CZ2 TRP A   7       7.908  14.295   5.460  1.00 71.10           C  
ATOM    100  CZ3 TRP A   7       8.189  11.902   5.603  1.00 64.40           C  
ATOM    101  CH2 TRP A   7       8.125  13.166   6.203  1.00 43.43           C  
ATOM    102  H   TRP A   7       8.219   9.476   0.875  1.00 74.23           H  
ATOM    103  HA  TRP A   7       6.161  11.069   2.228  1.00 73.25           H  
ATOM    104  HB2 TRP A   7       8.599  11.707   0.837  1.00 70.33           H  
ATOM    105  HB3 TRP A   7       7.243  12.526   0.067  1.00 73.20           H  
ATOM    106  HD1 TRP A   7       7.268  14.931   0.945  1.00 72.53           H  
ATOM    107  HE1 TRP A   7       7.436  16.045   3.259  1.00 42.45           H  
ATOM    108  HE3 TRP A   7       8.086  10.766   3.795  1.00 61.23           H  
ATOM    109  HZ2 TRP A   7       7.860  15.263   5.937  1.00 25.12           H  
ATOM    110  HZ3 TRP A   7       8.363  11.036   6.225  1.00 62.53           H  
ATOM    111  HH2 TRP A   7       8.253  13.238   7.272  1.00 51.33           H  
ATOM    112  N   CYS A   8       4.477  10.193   0.559  1.00 61.51           N  
ATOM    113  CA  CYS A   8       3.411   9.960  -0.408  1.00 62.31           C  
ATOM    114  C   CYS A   8       2.594  11.229  -0.633  1.00 30.40           C  
ATOM    115  O   CYS A   8       2.998  12.113  -1.388  1.00  5.24           O  
ATOM    116  CB  CYS A   8       2.498   8.830   0.071  1.00 74.43           C  
ATOM    117  SG  CYS A   8       2.224   7.520  -1.166  1.00  3.12           S  
ATOM    118  H   CYS A   8       4.317   9.988   1.505  1.00 60.22           H  
ATOM    119  HA  CYS A   8       3.868   9.670  -1.342  1.00 51.22           H  
ATOM    120  HB2 CYS A   8       2.935   8.369   0.944  1.00  4.04           H  
ATOM    121  HB3 CYS A   8       1.534   9.242   0.332  1.00  4.01           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   GLY A   1       1.905   0.236   0.712  1.00 72.12           N  
ATOM      2  CA  GLY A   1       1.483   0.185  -0.676  1.00 30.41           C  
ATOM      3  C   GLY A   1       1.193   1.559  -1.245  1.00  1.31           C  
ATOM      4  O   GLY A   1       0.035   1.961  -1.358  1.00 14.10           O  
ATOM      5  H1  GLY A   1       1.485   0.874   1.326  1.00  5.21           H  
ATOM      6  HA2 GLY A   1       2.263  -0.279  -1.261  1.00 42.30           H  
ATOM      7  HA3 GLY A   1       0.589  -0.417  -0.746  1.00 74.02           H  
ATOM      8  N   CYS A   2       2.248   2.284  -1.603  1.00 13.11           N  
ATOM      9  CA  CYS A   2       2.102   3.623  -2.161  1.00 62.03           C  
ATOM     10  C   CYS A   2       3.429   4.126  -2.722  1.00 24.30           C  
ATOM     11  O   CYS A   2       4.224   4.739  -2.010  1.00  2.43           O  
ATOM     12  CB  CYS A   2       1.588   4.590  -1.093  1.00 51.44           C  
ATOM     13  SG  CYS A   2       1.554   6.333  -1.623  1.00 75.04           S  
ATOM     14  H   CYS A   2       3.147   1.909  -1.489  1.00  0.44           H  
ATOM     15  HA  CYS A   2       1.383   3.571  -2.964  1.00 52.42           H  
ATOM     16  HB2 CYS A   2       0.581   4.311  -0.821  1.00 34.03           H  
ATOM     17  HB3 CYS A   2       2.223   4.524  -0.222  1.00 73.43           H  
ATOM     18  N   VAL A   3       3.662   3.861  -4.004  1.00  2.13           N  
ATOM     19  CA  VAL A   3       4.892   4.287  -4.661  1.00 53.42           C  
ATOM     20  C   VAL A   3       5.147   5.774  -4.440  1.00 15.14           C  
ATOM     21  O   VAL A   3       4.436   6.599  -5.012  1.00 32.02           O  
ATOM     22  CB  VAL A   3       4.846   4.006  -6.175  1.00 35.32           C  
ATOM     23  CG1 VAL A   3       5.054   2.524  -6.449  1.00 15.10           C  
ATOM     24  CG2 VAL A   3       3.529   4.486  -6.766  1.00 34.13           C  
ATOM     25  H   VAL A   3       2.991   3.368  -4.520  1.00 14.24           H  
ATOM     26  HA  VAL A   3       5.710   3.724  -4.236  1.00 41.44           H  
ATOM     27  HB  VAL A   3       5.648   4.553  -6.647  1.00 24.40           H  
ATOM     28 HG11 VAL A   3       4.893   2.327  -7.499  1.00 30.43           H  
ATOM     29 HG12 VAL A   3       6.062   2.246  -6.179  1.00 33.31           H  
ATOM     30 HG13 VAL A   3       4.352   1.948  -5.864  1.00 13.01           H  
ATOM     31 HG21 VAL A   3       2.922   3.634  -7.034  1.00 32.01           H  
ATOM     32 HG22 VAL A   3       3.005   5.086  -6.036  1.00 43.13           H  
ATOM     33 HG23 VAL A   3       3.724   5.080  -7.647  1.00 20.12           H  
HETATM   34  N   DLE A   4       6.144   6.081  -3.624  1.00 22.25           N  
HETATM   35  CA  DLE A   4       6.479   7.466  -3.338  1.00 70.43           C  
HETATM   36  CB  DLE A   4       7.457   8.007  -4.383  1.00 73.44           C  
HETATM   37  CG  DLE A   4       6.832   8.762  -5.558  1.00 43.23           C  
HETATM   38  CD1 DLE A   4       6.841   7.907  -6.827  1.00  2.01           C  
HETATM   39  CD2 DLE A   4       7.522  10.111  -5.771  1.00 42.15           C  
HETATM   40  C   DLE A   4       6.992   7.576  -1.901  1.00 52.20           C  
HETATM   41  O   DLE A   4       7.728   8.494  -1.540  1.00  3.34           O  
HETATM   42  H   DLE A   4       6.717   5.404  -3.162  1.00 65.31           H  
HETATM   43  HA  DLE A   4       5.561   8.048  -3.424  1.00 24.25           H  
HETATM   44  HB2 DLE A   4       8.033   7.171  -4.780  1.00 22.22           H  
HETATM   45  HB3 DLE A   4       8.161   8.671  -3.883  1.00 63.02           H  
HETATM   46  HG  DLE A   4       5.790   8.968  -5.316  1.00 53.55           H  
HETATM   47 HD11 DLE A   4       6.064   8.257  -7.506  1.00 70.13           H  
HETATM   48 HD12 DLE A   4       6.653   6.866  -6.565  1.00 31.14           H  
HETATM   49 HD13 DLE A   4       7.813   7.989  -7.314  1.00  1.04           H  
HETATM   50 HD21 DLE A   4       6.881  10.756  -6.373  1.00 22.13           H  
HETATM   51 HD22 DLE A   4       8.470   9.957  -6.288  1.00 54.00           H  
HETATM   52 HD23 DLE A   4       7.707  10.581  -4.806  1.00  2.24           H  
ATOM     53  N   TYR A   5       6.583   6.613  -1.083  1.00 71.54           N  
ATOM     54  CA  TYR A   5       6.983   6.578   0.318  1.00  1.53           C  
ATOM     55  C   TYR A   5       8.496   6.716   0.456  1.00  3.33           C  
ATOM     56  O   TYR A   5       9.255   6.482  -0.484  1.00 43.35           O  
ATOM     57  CB  TYR A   5       6.517   5.277   0.972  1.00 34.31           C  
ATOM     58  CG  TYR A   5       5.315   5.449   1.873  1.00 31.44           C  
ATOM     59  CD1 TYR A   5       4.243   6.246   1.490  1.00 22.04           C  
ATOM     60  CD2 TYR A   5       5.251   4.815   3.108  1.00 22.21           C  
ATOM     61  CE1 TYR A   5       3.143   6.407   2.311  1.00 63.42           C  
ATOM     62  CE2 TYR A   5       4.155   4.969   3.934  1.00 32.53           C  
ATOM     63  CZ  TYR A   5       3.104   5.766   3.531  1.00 34.54           C  
ATOM     64  OH  TYR A   5       2.010   5.922   4.352  1.00  3.31           O  
ATOM     65  H   TYR A   5       5.997   5.908  -1.430  1.00 34.11           H  
ATOM     66  HA  TYR A   5       6.510   7.411   0.819  1.00 61.24           H  
ATOM     67  HB2 TYR A   5       6.254   4.569   0.201  1.00 33.24           H  
ATOM     68  HB3 TYR A   5       7.322   4.872   1.567  1.00 64.33           H  
ATOM     69  HD1 TYR A   5       4.277   6.747   0.534  1.00 62.13           H  
ATOM     70  HD2 TYR A   5       6.077   4.192   3.421  1.00 74.42           H  
ATOM     71  HE1 TYR A   5       2.320   7.030   1.996  1.00 52.43           H  
ATOM     72  HE2 TYR A   5       4.124   4.467   4.890  1.00 13.03           H  
ATOM     73  HH  TYR A   5       1.800   5.083   4.769  1.00  4.30           H  
ATOM     74  N   PRO A   6       8.947   7.105   1.658  1.00 14.04           N  
ATOM     75  CA  PRO A   6       8.053   7.387   2.785  1.00 34.14           C  
ATOM     76  C   PRO A   6       7.234   8.656   2.573  1.00 61.22           C  
ATOM     77  O   PRO A   6       6.267   8.909   3.291  1.00 50.20           O  
ATOM     78  CB  PRO A   6       9.013   7.561   3.965  1.00 53.22           C  
ATOM     79  CG  PRO A   6      10.299   7.987   3.346  1.00 24.51           C  
ATOM     80  CD  PRO A   6      10.363   7.300   2.010  1.00 63.12           C  
ATOM     81  HA  PRO A   6       7.387   6.559   2.980  1.00 32.14           H  
ATOM     82  HB2 PRO A   6       8.628   8.316   4.637  1.00 61.52           H  
ATOM     83  HB3 PRO A   6       9.118   6.624   4.490  1.00 61.45           H  
ATOM     84  HG2 PRO A   6      10.309   9.058   3.218  1.00 52.21           H  
ATOM     85  HG3 PRO A   6      11.126   7.674   3.967  1.00 11.23           H  
ATOM     86  HD2 PRO A   6      10.857   7.930   1.285  1.00 23.11           H  
ATOM     87  HD3 PRO A   6      10.872   6.351   2.097  1.00 41.20           H  
ATOM     88  N   TRP A   7       7.628   9.449   1.583  1.00 75.32           N  
ATOM     89  CA  TRP A   7       6.929  10.692   1.276  1.00 60.21           C  
ATOM     90  C   TRP A   7       6.004  10.515   0.077  1.00 63.24           C  
ATOM     91  O   TRP A   7       6.406  10.731  -1.067  1.00 64.31           O  
ATOM     92  CB  TRP A   7       7.934  11.811   1.000  1.00 64.04           C  
ATOM     93  CG  TRP A   7       7.919  12.892   2.037  1.00  4.43           C  
ATOM     94  CD1 TRP A   7       7.853  14.239   1.817  1.00 30.41           C  
ATOM     95  CD2 TRP A   7       7.974  12.718   3.457  1.00  1.33           C  
ATOM     96  NE1 TRP A   7       7.863  14.912   3.015  1.00 61.11           N  
ATOM     97  CE2 TRP A   7       7.936  14.002   4.036  1.00 31.12           C  
ATOM     98  CE3 TRP A   7       8.049  11.603   4.296  1.00  3.22           C  
ATOM     99  CZ2 TRP A   7       7.972  14.198   5.414  1.00 11.11           C  
ATOM    100  CZ3 TRP A   7       8.085  11.800   5.664  1.00 63.34           C  
ATOM    101  CH2 TRP A   7       8.046  13.089   6.212  1.00 72.43           C  
ATOM    102  H   TRP A   7       8.406   9.193   1.045  1.00 23.42           H  
ATOM    103  HA  TRP A   7       6.335  10.959   2.138  1.00 71.44           H  
ATOM    104  HB2 TRP A   7       8.929  11.393   0.968  1.00  4.02           H  
ATOM    105  HB3 TRP A   7       7.707  12.261   0.044  1.00 14.43           H  
ATOM    106  HD1 TRP A   7       7.803  14.693   0.839  1.00 35.15           H  
ATOM    107  HE1 TRP A   7       7.823  15.886   3.120  1.00 32.21           H  
ATOM    108  HE3 TRP A   7       8.081  10.602   3.893  1.00 73.13           H  
ATOM    109  HZ2 TRP A   7       7.942  15.185   5.852  1.00 54.20           H  
ATOM    110  HZ3 TRP A   7       8.144  10.950   6.328  1.00 70.23           H  
ATOM    111  HH2 TRP A   7       8.076  13.195   7.285  1.00 24.21           H  
ATOM    112  N   CYS A   8       4.764  10.121   0.344  1.00 12.04           N  
ATOM    113  CA  CYS A   8       3.781   9.915  -0.713  1.00 24.32           C  
ATOM    114  C   CYS A   8       3.071  11.220  -1.057  1.00 50.55           C  
ATOM    115  O   CYS A   8       3.290  11.795  -2.124  1.00 64.31           O  
ATOM    116  CB  CYS A   8       2.757   8.861  -0.287  1.00 61.13           C  
ATOM    117  SG  CYS A   8       2.519   7.523  -1.501  1.00 14.32           S  
ATOM    118  H   CYS A   8       4.502   9.965   1.277  1.00 61.22           H  
ATOM    119  HA  CYS A   8       4.305   9.562  -1.588  1.00 40.23           H  
ATOM    120  HB2 CYS A   8       3.081   8.409   0.639  1.00 13.01           H  
ATOM    121  HB3 CYS A   8       1.802   9.340  -0.133  1.00 54.24           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   GLY A   1       3.123  -0.508  -1.594  1.00 22.24           N  
ATOM      2  CA  GLY A   1       1.788  -0.092  -1.205  1.00 43.35           C  
ATOM      3  C   GLY A   1       1.404   1.249  -1.800  1.00 35.44           C  
ATOM      4  O   GLY A   1       0.415   1.353  -2.527  1.00 45.21           O  
ATOM      5  H1  GLY A   1       3.423  -1.422  -1.406  1.00 23.33           H  
ATOM      6  HA2 GLY A   1       1.080  -0.837  -1.536  1.00  2.03           H  
ATOM      7  HA3 GLY A   1       1.745  -0.021  -0.128  1.00 52.45           H  
ATOM      8  N   CYS A   2       2.184   2.278  -1.489  1.00 22.05           N  
ATOM      9  CA  CYS A   2       1.920   3.619  -1.994  1.00 55.44           C  
ATOM     10  C   CYS A   2       3.162   4.205  -2.658  1.00 44.42           C  
ATOM     11  O   CYS A   2       3.987   4.844  -2.004  1.00 32.44           O  
ATOM     12  CB  CYS A   2       1.456   4.533  -0.858  1.00 52.34           C  
ATOM     13  SG  CYS A   2       1.284   6.283  -1.335  1.00  0.12           S  
ATOM     14  H   CYS A   2       2.958   2.132  -0.904  1.00 10.04           H  
ATOM     15  HA  CYS A   2       1.133   3.547  -2.731  1.00  5.55           H  
ATOM     16  HB2 CYS A   2       0.493   4.194  -0.504  1.00 41.12           H  
ATOM     17  HB3 CYS A   2       2.170   4.481  -0.050  1.00 31.40           H  
ATOM     18  N   VAL A   3       3.290   3.984  -3.963  1.00 12.12           N  
ATOM     19  CA  VAL A   3       4.430   4.491  -4.716  1.00 65.23           C  
ATOM     20  C   VAL A   3       4.628   5.983  -4.476  1.00 44.34           C  
ATOM     21  O   VAL A   3       3.826   6.782  -4.957  1.00  1.31           O  
ATOM     22  CB  VAL A   3       4.260   4.243  -6.227  1.00  0.01           C  
ATOM     23  CG1 VAL A   3       4.517   2.781  -6.561  1.00 12.42           C  
ATOM     24  CG2 VAL A   3       2.872   4.667  -6.683  1.00 32.44           C  
ATOM     25  H   VAL A   3       2.600   3.468  -4.430  1.00 14.43           H  
ATOM     26  HA  VAL A   3       5.312   3.962  -4.383  1.00 40.44           H  
ATOM     27  HB  VAL A   3       4.988   4.843  -6.754  1.00 35.31           H  
ATOM     28 HG11 VAL A   3       5.581   2.610  -6.630  1.00 20.13           H  
ATOM     29 HG12 VAL A   3       4.099   2.156  -5.785  1.00 64.03           H  
ATOM     30 HG13 VAL A   3       4.052   2.541  -7.506  1.00 45.51           H  
ATOM     31 HG21 VAL A   3       2.955   5.287  -7.563  1.00 31.43           H  
ATOM     32 HG22 VAL A   3       2.286   3.789  -6.913  1.00 43.33           H  
ATOM     33 HG23 VAL A   3       2.388   5.225  -5.894  1.00 22.32           H  
HETATM   34  N   DLE A   4       5.681   6.323  -3.747  1.00 11.50           N  
HETATM   35  CA  DLE A   4       5.969   7.717  -3.454  1.00 45.00           C  
HETATM   36  CB  DLE A   4       6.819   8.334  -4.567  1.00 70.31           C  
HETATM   37  CG  DLE A   4       8.196   7.704  -4.787  1.00 71.12           C  
HETATM   38  CD1 DLE A   4       9.257   8.391  -3.926  1.00 42.30           C  
HETATM   39  CD2 DLE A   4       8.570   7.709  -6.271  1.00 22.23           C  
HETATM   40  C   DLE A   4       6.605   7.821  -2.066  1.00 61.12           C  
HETATM   41  O   DLE A   4       7.324   8.768  -1.747  1.00 22.12           O  
HETATM   42  H   DLE A   4       6.329   5.667  -3.360  1.00 14.31           H  
HETATM   43  HA  DLE A   4       5.020   8.251  -3.440  1.00 14.41           H  
HETATM   44  HB2 DLE A   4       6.957   9.393  -4.348  1.00 34.42           H  
HETATM   45  HB3 DLE A   4       6.260   8.272  -5.501  1.00 34.34           H  
HETATM   46  HG  DLE A   4       8.150   6.662  -4.470  1.00 54.03           H  
HETATM   47 HD11 DLE A   4       9.294   7.916  -2.946  1.00 34.21           H  
HETATM   48 HD12 DLE A   4       9.004   9.445  -3.809  1.00 51.14           H  
HETATM   49 HD13 DLE A   4      10.230   8.303  -4.409  1.00 63.02           H  
HETATM   50 HD21 DLE A   4       8.999   6.744  -6.540  1.00 64.33           H  
HETATM   51 HD22 DLE A   4       9.300   8.496  -6.459  1.00  1.33           H  
HETATM   52 HD23 DLE A   4       7.678   7.890  -6.870  1.00 31.20           H  
ATOM     53  N   TYR A   5       6.322   6.818  -1.242  1.00 53.15           N  
ATOM     54  CA  TYR A   5       6.849   6.772   0.116  1.00 44.50           C  
ATOM     55  C   TYR A   5       8.360   6.987   0.121  1.00 12.12           C  
ATOM     56  O   TYR A   5       9.041   6.816  -0.890  1.00 73.11           O  
ATOM     57  CB  TYR A   5       6.511   5.433   0.772  1.00 22.22           C  
ATOM     58  CG  TYR A   5       5.390   5.519   1.782  1.00 14.45           C  
ATOM     59  CD1 TYR A   5       4.249   6.269   1.521  1.00 70.54           C  
ATOM     60  CD2 TYR A   5       5.471   4.853   2.999  1.00 53.20           C  
ATOM     61  CE1 TYR A   5       3.222   6.351   2.441  1.00 51.22           C  
ATOM     62  CE2 TYR A   5       4.448   4.929   3.924  1.00 10.14           C  
ATOM     63  CZ  TYR A   5       3.326   5.679   3.641  1.00 52.41           C  
ATOM     64  OH  TYR A   5       2.305   5.759   4.561  1.00 65.42           O  
ATOM     65  H   TYR A   5       5.743   6.092  -1.554  1.00 74.25           H  
ATOM     66  HA  TYR A   5       6.382   7.566   0.680  1.00  3.51           H  
ATOM     67  HB2 TYR A   5       6.215   4.730   0.009  1.00 42.24           H  
ATOM     68  HB3 TYR A   5       7.387   5.057   1.280  1.00  4.21           H  
ATOM     69  HD1 TYR A   5       4.170   6.794   0.580  1.00 64.34           H  
ATOM     70  HD2 TYR A   5       6.351   4.267   3.218  1.00 63.30           H  
ATOM     71  HE1 TYR A   5       2.343   6.938   2.219  1.00 12.43           H  
ATOM     72  HE2 TYR A   5       4.529   4.403   4.864  1.00  4.54           H  
ATOM     73  HH  TYR A   5       2.406   5.059   5.211  1.00 73.14           H  
ATOM     74  N   PRO A   6       8.898   7.371   1.288  1.00 13.05           N  
ATOM     75  CA  PRO A   6       8.097   7.579   2.499  1.00 61.42           C  
ATOM     76  C   PRO A   6       7.199   8.807   2.396  1.00 23.24           C  
ATOM     77  O   PRO A   6       6.290   8.992   3.205  1.00 20.54           O  
ATOM     78  CB  PRO A   6       9.151   7.776   3.592  1.00 73.05           C  
ATOM     79  CG  PRO A   6      10.352   8.283   2.872  1.00 44.42           C  
ATOM     80  CD  PRO A   6      10.329   7.633   1.516  1.00 32.44           C  
ATOM     81  HA  PRO A   6       7.495   6.712   2.729  1.00 12.04           H  
ATOM     82  HB2 PRO A   6       8.791   8.493   4.316  1.00 22.24           H  
ATOM     83  HB3 PRO A   6       9.351   6.833   4.078  1.00  0.30           H  
ATOM     84  HG2 PRO A   6      10.296   9.357   2.774  1.00 74.34           H  
ATOM     85  HG3 PRO A   6      11.247   8.001   3.407  1.00 32.12           H  
ATOM     86  HD2 PRO A   6      10.722   8.305   0.768  1.00 31.22           H  
ATOM     87  HD3 PRO A   6      10.891   6.710   1.531  1.00 50.52           H  
ATOM     88  N   TRP A   7       7.460   9.643   1.398  1.00 70.52           N  
ATOM     89  CA  TRP A   7       6.674  10.854   1.190  1.00 22.41           C  
ATOM     90  C   TRP A   7       5.654  10.656   0.074  1.00  4.00           C  
ATOM     91  O   TRP A   7       5.939  10.921  -1.094  1.00 72.25           O  
ATOM     92  CB  TRP A   7       7.592  12.031   0.857  1.00 60.25           C  
ATOM     93  CG  TRP A   7       7.617  13.085   1.921  1.00 14.24           C  
ATOM     94  CD1 TRP A   7       7.462  14.431   1.746  1.00 31.22           C  
ATOM     95  CD2 TRP A   7       7.809  12.881   3.325  1.00 30.14           C  
ATOM     96  NE1 TRP A   7       7.547  15.075   2.957  1.00 53.32           N  
ATOM     97  CE2 TRP A   7       7.758  14.147   3.941  1.00 24.23           C  
ATOM     98  CE3 TRP A   7       8.017  11.752   4.122  1.00 11.03           C  
ATOM     99  CZ2 TRP A   7       7.910  14.312   5.315  1.00 14.15           C  
ATOM    100  CZ3 TRP A   7       8.167  11.918   5.486  1.00 61.10           C  
ATOM    101  CH2 TRP A   7       8.112  13.190   6.072  1.00 61.34           C  
ATOM    102  H   TRP A   7       8.198   9.441   0.785  1.00 24.24           H  
ATOM    103  HA  TRP A   7       6.148  11.068   2.109  1.00 42.03           H  
ATOM    104  HB2 TRP A   7       8.600  11.667   0.724  1.00  0.23           H  
ATOM    105  HB3 TRP A   7       7.256  12.491  -0.062  1.00 33.25           H  
ATOM    106  HD1 TRP A   7       7.300  14.905   0.790  1.00 34.42           H  
ATOM    107  HE1 TRP A   7       7.467  16.043   3.093  1.00 74.14           H  
ATOM    108  HE3 TRP A   7       8.062  10.764   3.690  1.00 63.55           H  
ATOM    109  HZ2 TRP A   7       7.869  15.286   5.782  1.00 61.41           H  
ATOM    110  HZ3 TRP A   7       8.329  11.057   6.118  1.00 62.01           H  
ATOM    111  HH2 TRP A   7       8.235  13.272   7.140  1.00 12.04           H  
ATOM    112  N   CYS A   8       4.465  10.190   0.441  1.00 63.44           N  
ATOM    113  CA  CYS A   8       3.403   9.956  -0.530  1.00 14.23           C  
ATOM    114  C   CYS A   8       2.599  11.230  -0.773  1.00 52.31           C  
ATOM    115  O   CYS A   8       1.472  11.180  -1.268  1.00 25.15           O  
ATOM    116  CB  CYS A   8       2.476   8.840  -0.044  1.00 13.34           C  
ATOM    117  SG  CYS A   8       2.196   7.520  -1.267  1.00 64.22           S  
ATOM    118  H   CYS A   8       4.298   9.997   1.388  1.00 42.02           H  
ATOM    119  HA  CYS A   8       3.862   9.652  -1.458  1.00 54.11           H  
ATOM    120  HB2 CYS A   8       2.904   8.385   0.838  1.00 42.25           H  
ATOM    121  HB3 CYS A   8       1.515   9.265   0.208  1.00 60.31           H  
TER     122      CYS A   8                                                      
ENDMDL                                                                          
CONECT   13  117                                                                
CONECT   20   34                                                                
CONECT   34   20   35   42                                                      
CONECT   35   34   36   40   43                                                 
CONECT   36   35   37   44   45                                                 
CONECT   37   36   38   39   46                                                 
CONECT   38   37   47   48   49                                                 
CONECT   39   37   50   51   52                                                 
CONECT   40   35   41   53                                                      
CONECT   41   40                                                                
CONECT   42   34                                                                
CONECT   43   35                                                                
CONECT   44   36                                                                
CONECT   45   36                                                                
CONECT   46   37                                                                
CONECT   47   38                                                                
CONECT   48   38                                                                
CONECT   49   38                                                                
CONECT   50   39                                                                
CONECT   51   39                                                                
CONECT   52   39                                                                
CONECT   53   40                                                                
CONECT  117   13                                                                
MASTER      118    0    1    0    0    0    2    6   64    1   23    1          
END