HEADER    TOXIN                                   29-MAR-13   2M6G              
TITLE     SOLUTION STRUCTURE OF CIS(C2-P3) TRANS (D5-P6) FORM OF LO959 IN WATER 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CONTRYPHAN-LO;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: LO959;                                                      
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: CONUS LOROISII;                                 
SOURCE   4 ORGANISM_COMMON: CONE SNAIL;                                         
SOURCE   5 ORGANISM_TAXID: 410709                                               
KEYWDS    LO959, WATER, TOXIN                                                   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    R.SONTI                                                               
REVDAT   4   15-NOV-23 2M6G    1       REMARK                                   
REVDAT   3   14-JUN-23 2M6G    1       REMARK                                   
REVDAT   2   24-AUG-22 2M6G    1       JRNL   REMARK LINK                       
REVDAT   1   30-OCT-13 2M6G    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 2M6G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-APR-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000103268.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 2 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: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  3 PRO A   3   CG    PRO A   3   CD      0.223                       
REMARK 500  5 PRO A   3   CG    PRO A   3   CD      0.197                       
REMARK 500  5 PRO A   6   CG    PRO A   6   CD      0.241                       
REMARK 500  6 PRO A   3   CG    PRO A   3   CD      0.353                       
REMARK 500  7 PRO A   3   CG    PRO A   3   CD      0.426                       
REMARK 500  8 PRO A   3   CG    PRO A   3   CD      0.591                       
REMARK 500  9 PRO A   3   CG    PRO A   3   CD      0.591                       
REMARK 500 10 PRO A   3   CG    PRO A   3   CD      0.591                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  2 PRO A   3   N   -  CD  -  CG  ANGL. DEV. =  -7.8 DEGREES          
REMARK 500  3 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -12.1 DEGREES          
REMARK 500  4 PRO A   3   N   -  CD  -  CG  ANGL. DEV. =  -8.9 DEGREES          
REMARK 500  5 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -11.5 DEGREES          
REMARK 500  6 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -14.9 DEGREES          
REMARK 500  7 PRO A   3   CB  -  CG  -  CD  ANGL. DEV. = -16.2 DEGREES          
REMARK 500  8 PRO A   3   CB  -  CG  -  CD  ANGL. DEV. = -22.4 DEGREES          
REMARK 500  8 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -19.3 DEGREES          
REMARK 500  9 PRO A   3   CB  -  CG  -  CD  ANGL. DEV. = -22.4 DEGREES          
REMARK 500  9 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -19.3 DEGREES          
REMARK 500 10 PRO A   3   CB  -  CG  -  CD  ANGL. DEV. = -22.4 DEGREES          
REMARK 500 10 PRO A   3   N   -  CD  -  CG  ANGL. DEV. = -19.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 DTR A   4      -56.59    148.72                                   
REMARK 500  2 DTR A   4      -56.10    147.68                                   
REMARK 500  3 DTR A   4      -54.26    144.32                                   
REMARK 500  4 DTR A   4      -55.19    146.06                                   
REMARK 500  5 DTR A   4      -54.87    145.43                                   
REMARK 500  6 DTR A   4      -55.00    145.78                                   
REMARK 500  7 DTR A   4      -54.06    140.83                                   
REMARK 500  8 DTR A   4      -56.82    148.98                                   
REMARK 500  9 DTR A   4      -54.94    145.68                                   
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 DTR A 4                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 19132   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2M6C   RELATED DB: PDB                                   
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: 2M6H   RELATED DB: PDB                                   
DBREF  2M6G A    1     8  UNP    P0C250   COW_CONLO        1      8             
SEQRES   1 A    8  GLY CYS PRO DTR ASP PRO TRP CYS                              
HET    DTR  A   4      24                                                       
HETNAM     DTR D-TRYPTOPHAN                                                     
FORMUL   1  DTR    C11 H12 N2 O2                                                
SSBOND   1 CYS A    2    CYS A    8                          1555   1555  2.10  
LINK         C   PRO A   3                 N   DTR A   4     1555   1555  1.33  
LINK         C   DTR A   4                 N   ASP A   5     1555   1555  1.33  
CISPEP   1 CYS A    2    PRO A    3          1         0.02                     
CISPEP   2 CYS A    2    PRO A    3          2         0.00                     
CISPEP   3 CYS A    2    PRO A    3          3        -0.10                     
CISPEP   4 CYS A    2    PRO A    3          4        -0.10                     
CISPEP   5 CYS A    2    PRO A    3          5         0.02                     
CISPEP   6 CYS A    2    PRO A    3          6        -0.02                     
CISPEP   7 CYS A    2    PRO A    3          7        -0.06                     
CISPEP   8 CYS A    2    PRO A    3          8        -0.02                     
CISPEP   9 CYS A    2    PRO A    3          9        -0.04                     
CISPEP  10 CYS A    2    PRO A    3         10        -0.06                     
SITE     1 AC1  4 PRO A   3  ASP A   5  PRO A   6  CYS A   8                    
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       2.199   1.388  -1.845  1.00  4.23           C  
ATOM      4  O   GLY A   1       1.297   2.215  -1.712  1.00 54.21           O  
ATOM      5  H1  GLY A   1       1.811  -0.001   0.854  1.00 52.40           H  
ATOM      6  HA2 GLY A   1       3.060  -0.394  -1.066  1.00 71.20           H  
ATOM      7  HA3 GLY A   1       1.564  -0.638  -1.955  1.00 53.43           H  
ATOM      8  N   CYS A   2       3.324   1.646  -2.503  1.00 64.33           N  
ATOM      9  CA  CYS A   2       3.569   2.943  -3.122  1.00 23.03           C  
ATOM     10  C   CYS A   2       4.237   2.779  -4.484  1.00 60.20           C  
ATOM     11  O   CYS A   2       4.870   1.763  -4.775  1.00 13.42           O  
ATOM     12  CB  CYS A   2       4.445   3.807  -2.213  1.00  5.31           C  
ATOM     13  SG  CYS A   2       3.519   5.029  -1.229  1.00 75.50           S  
ATOM     14  H   CYS A   2       4.008   0.946  -2.575  1.00 73.43           H  
ATOM     15  HA  CYS A   2       2.616   3.431  -3.258  1.00 63.13           H  
ATOM     16  HB2 CYS A   2       4.977   3.167  -1.524  1.00  4.30           H  
ATOM     17  HB3 CYS A   2       5.159   4.346  -2.819  1.00 75.13           H  
ATOM     18  N   PRO A   3       4.094   3.801  -5.340  1.00 50.50           N  
ATOM     19  CA  PRO A   3       3.343   5.015  -5.005  1.00 74.23           C  
ATOM     20  C   PRO A   3       1.836   4.820  -5.142  1.00  4.22           C  
ATOM     21  O   PRO A   3       1.409   3.842  -5.754  1.00  2.43           O  
ATOM     22  CB  PRO A   3       3.845   6.037  -6.028  1.00 73.45           C  
ATOM     23  CG  PRO A   3       4.604   5.232  -7.026  1.00 60.11           C  
ATOM     24  CD  PRO A   3       4.654   3.852  -6.701  1.00 22.21           C  
ATOM     25  HA  PRO A   3       3.571   5.360  -4.007  1.00 52.15           H  
ATOM     26  HB2 PRO A   3       3.002   6.538  -6.483  1.00 40.22           H  
ATOM     27  HB3 PRO A   3       4.480   6.759  -5.539  1.00 12.50           H  
ATOM     28  HG2 PRO A   3       3.930   4.842  -7.773  1.00 52.24           H  
ATOM     29  HG3 PRO A   3       5.365   5.844  -7.488  1.00 21.43           H  
ATOM     30  HD2 PRO A   3       4.402   2.960  -7.255  1.00 72.11           H  
ATOM     31  HD3 PRO A   3       5.725   3.989  -6.671  1.00 41.43           H  
HETATM   32  N   DTR A   4       1.073   5.744  -4.576  1.00 62.14           N  
HETATM   33  CA  DTR A   4      -0.376   5.661  -4.644  1.00  1.05           C  
HETATM   34  CB  DTR A   4      -0.904   6.317  -5.921  1.00 30.30           C  
HETATM   35  CG  DTR A   4      -0.340   5.714  -7.209  1.00 62.11           C  
HETATM   36  CD1 DTR A   4      -0.601   4.512  -7.741  1.00 22.12           C  
HETATM   37  NE1 DTR A   4       0.097   4.316  -8.915  1.00 41.12           N  
HETATM   38  CE2 DTR A   4       0.849   5.462  -9.148  1.00 22.33           C  
HETATM   39  CZ2 DTR A   4       1.720   5.754 -10.204  1.00 70.34           C  
HETATM   40  CH2 DTR A   4       2.345   7.006 -10.168  1.00 55.22           C  
HETATM   41  CZ3 DTR A   4       2.081   7.877  -9.118  1.00 11.24           C  
HETATM   42  CE3 DTR A   4       1.214   7.600  -8.054  1.00 55.41           C  
HETATM   43  CD2 DTR A   4       0.598   6.338  -8.111  1.00 70.35           C  
HETATM   44  C   DTR A   4      -0.945   6.289  -3.370  1.00  1.42           C  
HETATM   45  O   DTR A   4      -1.746   7.223  -3.405  1.00 13.32           O  
HETATM   46  H   DTR A   4       1.429   6.536  -4.081  1.00 14.25           H  
HETATM   47  HA  DTR A   4      -0.647   4.607  -4.692  1.00 75.54           H  
HETATM   48  HB2 DTR A   4      -0.667   7.380  -5.896  1.00 13.52           H  
HETATM   49  HB3 DTR A   4      -1.991   6.232  -5.938  1.00 43.31           H  
HETATM   50  HD1 DTR A   4      -1.279   3.781  -7.301  1.00 71.21           H  
HETATM   51  HE1 DTR A   4       0.065   3.427  -9.545  1.00 35.25           H  
HETATM   52  HZ2 DTR A   4       1.902   5.044 -11.012  1.00 13.33           H  
HETATM   53  HH2 DTR A   4       3.034   7.297 -10.960  1.00 65.24           H  
HETATM   54  HZ3 DTR A   4       2.585   8.844  -9.122  1.00 71.41           H  
HETATM   55  HE3 DTR A   4       1.032   8.310  -7.247  1.00 33.12           H  
ATOM     56  N   ASP A   5      -0.509   5.752  -2.236  1.00 34.12           N  
ATOM     57  CA  ASP A   5      -0.957   6.240  -0.937  1.00 13.43           C  
ATOM     58  C   ASP A   5      -0.777   7.752  -0.833  1.00 20.43           C  
ATOM     59  O   ASP A   5      -0.002   8.361  -1.570  1.00 55.25           O  
ATOM     60  CB  ASP A   5      -0.188   5.544   0.187  1.00 60.12           C  
ATOM     61  CG  ASP A   5      -0.864   4.268   0.647  1.00 75.40           C  
ATOM     62  OD1 ASP A   5      -0.624   3.211   0.026  1.00 71.03           O  
ATOM     63  OD2 ASP A   5      -1.633   4.325   1.629  1.00 55.00           O  
ATOM     64  H   ASP A   5       0.129   5.009  -2.273  1.00 43.21           H  
ATOM     65  HA  ASP A   5      -2.007   6.008  -0.839  1.00 51.31           H  
ATOM     66  HB2 ASP A   5       0.804   5.297  -0.164  1.00 13.12           H  
ATOM     67  HB3 ASP A   5      -0.111   6.214   1.030  1.00 22.14           H  
ATOM     68  N   PRO A   6      -1.509   8.372   0.104  1.00 12.22           N  
ATOM     69  CA  PRO A   6      -1.448   9.820   0.327  1.00 62.24           C  
ATOM     70  C   PRO A   6      -0.025  10.308   0.579  1.00 35.35           C  
ATOM     71  O   PRO A   6       0.274  11.490   0.413  1.00 12.11           O  
ATOM     72  CB  PRO A   6      -2.313  10.024   1.573  1.00 42.22           C  
ATOM     73  CG  PRO A   6      -2.296   8.706   2.266  1.00 23.23           C  
ATOM     74  CD  PRO A   6      -2.453   7.708   1.019  1.00 10.30           C  
ATOM     75  HA  PRO A   6      -1.873  10.367  -0.502  1.00 62.13           H  
ATOM     76  HB2 PRO A   6      -1.883  10.801   2.189  1.00  3.30           H  
ATOM     77  HB3 PRO A   6      -3.314  10.303   1.279  1.00 23.51           H  
ATOM     78  HG2 PRO A   6      -1.348   8.565   2.763  1.00 31.43           H  
ATOM     79  HG3 PRO A   6      -3.106   8.656   2.979  1.00 61.44           H  
ATOM     80  HD2 PRO A   6      -1.996   6.849   1.488  1.00 52.32           H  
ATOM     81  HD3 PRO A   6      -3.355   7.421   0.499  1.00 14.54           H  
ATOM     82  N   TRP A   7       0.847   9.390   0.981  1.00 13.45           N  
ATOM     83  CA  TRP A   7       2.239   9.728   1.257  1.00 54.22           C  
ATOM     84  C   TRP A   7       3.112   9.480   0.032  1.00 74.03           C  
ATOM     85  O   TRP A   7       4.325   9.302   0.147  1.00 14.41           O  
ATOM     86  CB  TRP A   7       2.758   8.913   2.442  1.00 31.12           C  
ATOM     87  CG  TRP A   7       3.143   9.756   3.620  1.00 51.00           C  
ATOM     88  CD1 TRP A   7       4.400   9.939   4.121  1.00 42.34           C  
ATOM     89  CD2 TRP A   7       2.264  10.528   4.445  1.00 12.11           C  
ATOM     90  NE1 TRP A   7       4.356  10.779   5.207  1.00 33.14           N  
ATOM     91  CE2 TRP A   7       3.057  11.155   5.426  1.00 32.34           C  
ATOM     92  CE3 TRP A   7       0.885  10.753   4.449  1.00 13.04           C  
ATOM     93  CZ2 TRP A   7       2.514  11.989   6.400  1.00 23.45           C  
ATOM     94  CZ3 TRP A   7       0.348  11.581   5.417  1.00 73.40           C  
ATOM     95  CH2 TRP A   7       1.161  12.191   6.381  1.00 20.11           C  
ATOM     96  H   TRP A   7       0.548   8.464   1.096  1.00 31.31           H  
ATOM     97  HA  TRP A   7       2.281  10.778   1.508  1.00 74.13           H  
ATOM     98  HB2 TRP A   7       1.990   8.225   2.762  1.00 71.41           H  
ATOM     99  HB3 TRP A   7       3.629   8.355   2.131  1.00  4.04           H  
ATOM    100  HD1 TRP A   7       5.289   9.483   3.713  1.00  4.10           H  
ATOM    101  HE1 TRP A   7       5.129  11.064   5.738  1.00 23.52           H  
ATOM    102  HE3 TRP A   7       0.241  10.292   3.715  1.00 63.34           H  
ATOM    103  HZ2 TRP A   7       3.128  12.467   7.150  1.00 71.20           H  
ATOM    104  HZ3 TRP A   7      -0.716  11.766   5.436  1.00 33.33           H  
ATOM    105  HH2 TRP A   7       0.699  12.829   7.118  1.00 54.31           H  
ATOM    106  N   CYS A   8       2.488   9.469  -1.142  1.00 31.25           N  
ATOM    107  CA  CYS A   8       3.208   9.242  -2.389  1.00 12.12           C  
ATOM    108  C   CYS A   8       2.545   9.988  -3.543  1.00 53.10           C  
ATOM    109  O   CYS A   8       2.567  11.218  -3.594  1.00 20.00           O  
ATOM    110  CB  CYS A   8       3.269   7.746  -2.702  1.00 74.21           C  
ATOM    111  SG  CYS A   8       4.490   6.828  -1.711  1.00 23.53           S  
ATOM    112  H   CYS A   8       1.519   9.617  -1.170  1.00 35.44           H  
ATOM    113  HA  CYS A   8       4.213   9.616  -2.265  1.00 13.12           H  
ATOM    114  HB2 CYS A   8       2.299   7.307  -2.516  1.00  0.23           H  
ATOM    115  HB3 CYS A   8       3.523   7.614  -3.743  1.00 63.13           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   GLY A   1       1.093  -0.949  -2.202  1.00 64.22           N  
ATOM      2  CA  GLY A   1       2.092  -0.114  -1.560  1.00 71.24           C  
ATOM      3  C   GLY A   1       2.186   1.263  -2.187  1.00 33.10           C  
ATOM      4  O   GLY A   1       1.170   1.922  -2.411  1.00 31.11           O  
ATOM      5  H1  GLY A   1       0.148  -0.850  -1.964  1.00 11.03           H  
ATOM      6  HA2 GLY A   1       1.839  -0.007  -0.516  1.00 54.13           H  
ATOM      7  HA3 GLY A   1       3.054  -0.599  -1.639  1.00 41.20           H  
ATOM      8  N   CYS A   2       3.408   1.701  -2.470  1.00 21.44           N  
ATOM      9  CA  CYS A   2       3.632   3.009  -3.072  1.00  1.10           C  
ATOM     10  C   CYS A   2       4.318   2.873  -4.428  1.00 52.44           C  
ATOM     11  O   CYS A   2       4.975   1.875  -4.723  1.00 21.35           O  
ATOM     12  CB  CYS A   2       4.480   3.882  -2.145  1.00 11.32           C  
ATOM     13  SG  CYS A   2       3.517   5.073  -1.159  1.00 13.41           S  
ATOM     14  H   CYS A   2       4.179   1.129  -2.268  1.00  5.33           H  
ATOM     15  HA  CYS A   2       2.670   3.478  -3.214  1.00 44.20           H  
ATOM     16  HB2 CYS A   2       5.018   3.246  -1.457  1.00 13.45           H  
ATOM     17  HB3 CYS A   2       5.188   4.442  -2.738  1.00 31.02           H  
ATOM     18  N   PRO A   3       4.162   3.902  -5.276  1.00 22.45           N  
ATOM     19  CA  PRO A   3       3.382   5.095  -4.937  1.00 14.34           C  
ATOM     20  C   PRO A   3       1.881   4.870  -5.092  1.00  5.22           C  
ATOM     21  O   PRO A   3       1.482   3.890  -5.718  1.00 32.55           O  
ATOM     22  CB  PRO A   3       3.873   6.138  -5.944  1.00 11.12           C  
ATOM     23  CG  PRO A   3       5.065   5.515  -6.583  1.00 63.33           C  
ATOM     24  CD  PRO A   3       4.736   3.978  -6.630  1.00 31.04           C  
ATOM     25  HA  PRO A   3       3.592   5.435  -3.933  1.00 34.21           H  
ATOM     26  HB2 PRO A   3       3.095   6.338  -6.667  1.00 52.11           H  
ATOM     27  HB3 PRO A   3       4.134   7.049  -5.426  1.00 73.11           H  
ATOM     28  HG2 PRO A   3       5.136   5.830  -7.613  1.00 64.32           H  
ATOM     29  HG3 PRO A   3       5.958   5.791  -6.042  1.00 42.43           H  
ATOM     30  HD2 PRO A   3       4.300   3.231  -7.276  1.00 31.42           H  
ATOM     31  HD3 PRO A   3       5.810   3.872  -6.599  1.00  4.42           H  
HETATM   32  N   DTR A   4       1.093   5.772  -4.526  1.00 53.23           N  
HETATM   33  CA  DTR A   4      -0.353   5.659  -4.610  1.00 55.43           C  
HETATM   34  CB  DTR A   4      -0.884   6.339  -5.874  1.00 61.13           C  
HETATM   35  CG  DTR A   4      -0.413   5.687  -7.176  1.00  5.22           C  
HETATM   36  CD1 DTR A   4      -0.710   4.467  -7.642  1.00 72.33           C  
HETATM   37  NE1 DTR A   4      -0.098   4.226  -8.855  1.00 64.33           N  
HETATM   38  CE2 DTR A   4       0.636   5.360  -9.183  1.00 54.14           C  
HETATM   39  CZ2 DTR A   4       1.429   5.611 -10.310  1.00 33.55           C  
HETATM   40  CH2 DTR A   4       2.054   6.862 -10.365  1.00 13.12           C  
HETATM   41  CZ3 DTR A   4       1.865   7.772  -9.331  1.00 41.34           C  
HETATM   42  CE3 DTR A   4       1.076   7.537  -8.199  1.00 52.42           C  
HETATM   43  CD2 DTR A   4       0.458   6.275  -8.165  1.00 63.24           C  
HETATM   44  C   DTR A   4      -0.948   6.239  -3.325  1.00 54.25           C  
HETATM   45  O   DTR A   4      -1.778   7.149  -3.343  1.00 23.11           O  
HETATM   46  H   DTR A   4       1.426   6.567  -4.019  1.00 71.01           H  
HETATM   47  HA  DTR A   4      -0.601   4.601  -4.691  1.00 50.02           H  
HETATM   48  HB2 DTR A   4      -0.574   7.384  -5.870  1.00 63.12           H  
HETATM   49  HB3 DTR A   4      -1.974   6.330  -5.849  1.00 64.14           H  
HETATM   50  HD1 DTR A   4      -1.355   3.754  -7.128  1.00 52.14           H  
HETATM   51  HE1 DTR A   4      -0.175   3.314  -9.447  1.00 25.51           H  
HETATM   52  HZ2 DTR A   4       1.553   4.871 -11.101  1.00 12.14           H  
HETATM   53  HH2 DTR A   4       2.685   7.121 -11.214  1.00 44.54           H  
HETATM   54  HZ3 DTR A   4       2.367   8.737  -9.408  1.00 21.22           H  
HETATM   55  HE3 DTR A   4       0.952   8.277  -7.408  1.00 74.11           H  
ATOM     56  N   ASP A   5      -0.503   5.688  -2.202  1.00  2.01           N  
ATOM     57  CA  ASP A   5      -0.972   6.131  -0.894  1.00 55.03           C  
ATOM     58  C   ASP A   5      -0.839   7.644  -0.753  1.00 10.10           C  
ATOM     59  O   ASP A   5      -0.079   8.295  -1.471  1.00 32.42           O  
ATOM     60  CB  ASP A   5      -0.188   5.431   0.217  1.00 53.41           C  
ATOM     61  CG  ASP A   5      -0.805   4.104   0.613  1.00  3.21           C  
ATOM     62  OD1 ASP A   5      -2.040   3.965   0.494  1.00  2.13           O  
ATOM     63  OD2 ASP A   5      -0.052   3.205   1.043  1.00 70.32           O  
ATOM     64  H   ASP A   5       0.159   4.966  -2.253  1.00 54.21           H  
ATOM     65  HA  ASP A   5      -2.015   5.865  -0.809  1.00 32.22           H  
ATOM     66  HB2 ASP A   5       0.821   5.251  -0.123  1.00 24.14           H  
ATOM     67  HB3 ASP A   5      -0.162   6.070   1.087  1.00 13.33           H  
ATOM     68  N   PRO A   6      -1.595   8.219   0.194  1.00 54.33           N  
ATOM     69  CA  PRO A   6      -1.580   9.662   0.451  1.00  4.41           C  
ATOM     70  C   PRO A   6      -0.174  10.187   0.724  1.00 52.20           C  
ATOM     71  O   PRO A   6       0.090  11.382   0.587  1.00 73.32           O  
ATOM     72  CB  PRO A   6      -2.457   9.810   1.697  1.00 42.13           C  
ATOM     73  CG  PRO A   6      -2.316   8.513   2.415  1.00 20.33           C  
ATOM     74  CD  PRO A   6      -2.524   7.505   1.086  1.00  3.12           C  
ATOM     75  HA  PRO A   6      -2.017  10.216  -0.367  1.00  2.01           H  
ATOM     76  HB2 PRO A   6      -2.099  10.636   2.296  1.00 32.41           H  
ATOM     77  HB3 PRO A   6      -3.480   9.989   1.402  1.00 61.21           H  
ATOM     78  HG2 PRO A   6      -1.300   8.391   2.758  1.00  1.45           H  
ATOM     79  HG3 PRO A   6      -3.002   8.479   3.249  1.00 23.00           H  
ATOM     80  HD2 PRO A   6      -2.044   6.648   1.536  1.00 51.51           H  
ATOM     81  HD3 PRO A   6      -3.415   7.205   0.554  1.00  4.13           H  
ATOM     82  N   TRP A   7       0.723   9.288   1.110  1.00 23.21           N  
ATOM     83  CA  TRP A   7       2.103   9.661   1.402  1.00 53.22           C  
ATOM     84  C   TRP A   7       2.990   9.468   0.177  1.00 54.44           C  
ATOM     85  O   TRP A   7       4.207   9.326   0.295  1.00 31.43           O  
ATOM     86  CB  TRP A   7       2.640   8.834   2.571  1.00 42.40           C  
ATOM     87  CG  TRP A   7       3.106   9.670   3.725  1.00 43.03           C  
ATOM     88  CD1 TRP A   7       4.256   9.506   4.444  1.00 52.33           C  
ATOM     89  CD2 TRP A   7       2.432  10.798   4.293  1.00  5.20           C  
ATOM     90  NE1 TRP A   7       4.337  10.465   5.425  1.00 61.21           N  
ATOM     91  CE2 TRP A   7       3.231  11.270   5.353  1.00 44.11           C  
ATOM     92  CE3 TRP A   7       1.233  11.457   4.009  1.00 44.04           C  
ATOM     93  CZ2 TRP A   7       2.867  12.368   6.127  1.00  3.42           C  
ATOM     94  CZ3 TRP A   7       0.873  12.547   4.778  1.00 23.22           C  
ATOM     95  CH2 TRP A   7       1.688  12.994   5.827  1.00 41.33           C  
ATOM     96  H   TRP A   7       0.452   8.350   1.201  1.00  4.04           H  
ATOM     97  HA  TRP A   7       2.111  10.706   1.677  1.00 23.42           H  
ATOM     98  HB2 TRP A   7       1.861   8.178   2.928  1.00 11.22           H  
ATOM     99  HB3 TRP A   7       3.476   8.242   2.229  1.00 62.35           H  
ATOM    100  HD1 TRP A   7       4.984   8.731   4.258  1.00 14.31           H  
ATOM    101  HE1 TRP A   7       5.069  10.557   6.070  1.00  4.31           H  
ATOM    102  HE3 TRP A   7       0.592  11.127   3.205  1.00 40.24           H  
ATOM    103  HZ2 TRP A   7       3.485  12.726   6.938  1.00 32.14           H  
ATOM    104  HZ3 TRP A   7      -0.050  13.068   4.573  1.00 12.35           H  
ATOM    105  HH2 TRP A   7       1.367  13.849   6.402  1.00 42.24           H  
ATOM    106  N   CYS A   8       2.373   9.465  -1.000  1.00 52.54           N  
ATOM    107  CA  CYS A   8       3.106   9.290  -2.248  1.00 42.01           C  
ATOM    108  C   CYS A   8       2.427  10.043  -3.389  1.00  4.35           C  
ATOM    109  O   CYS A   8       3.022  10.931  -3.999  1.00 44.51           O  
ATOM    110  CB  CYS A   8       3.213   7.804  -2.596  1.00 44.14           C  
ATOM    111  SG  CYS A   8       4.452   6.898  -1.615  1.00 62.12           S  
ATOM    112  H   CYS A   8       1.400   9.584  -1.031  1.00 14.01           H  
ATOM    113  HA  CYS A   8       4.099   9.691  -2.109  1.00 73.30           H  
ATOM    114  HB2 CYS A   8       2.255   7.333  -2.430  1.00  3.31           H  
ATOM    115  HB3 CYS A   8       3.481   7.705  -3.638  1.00 22.32           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   GLY A   1       0.732   0.304  -0.013  1.00  3.12           N  
ATOM      2  CA  GLY A   1       2.053   0.455  -0.594  1.00 44.40           C  
ATOM      3  C   GLY A   1       2.211   1.763  -1.344  1.00 14.20           C  
ATOM      4  O   GLY A   1       1.386   2.668  -1.209  1.00 60.23           O  
ATOM      5  H1  GLY A   1      -0.055   0.625  -0.500  1.00 51.33           H  
ATOM      6  HA2 GLY A   1       2.789   0.414   0.195  1.00 11.34           H  
ATOM      7  HA3 GLY A   1       2.229  -0.362  -1.279  1.00 14.35           H  
ATOM      8  N   CYS A   2       3.273   1.866  -2.136  1.00 30.45           N  
ATOM      9  CA  CYS A   2       3.538   3.073  -2.909  1.00 32.05           C  
ATOM     10  C   CYS A   2       4.137   2.727  -4.269  1.00 11.52           C  
ATOM     11  O   CYS A   2       4.718   1.660  -4.466  1.00 75.12           O  
ATOM     12  CB  CYS A   2       4.486   3.997  -2.141  1.00 54.14           C  
ATOM     13  SG  CYS A   2       3.650   5.360  -1.268  1.00 31.23           S  
ATOM     14  H   CYS A   2       3.895   1.110  -2.202  1.00  1.15           H  
ATOM     15  HA  CYS A   2       2.598   3.582  -3.062  1.00 24.14           H  
ATOM     16  HB2 CYS A   2       5.024   3.417  -1.406  1.00 11.54           H  
ATOM     17  HB3 CYS A   2       5.190   4.433  -2.834  1.00 41.12           H  
ATOM     18  N   PRO A   3       3.994   3.652  -5.230  1.00 72.32           N  
ATOM     19  CA  PRO A   3       3.304   4.926  -5.007  1.00 61.10           C  
ATOM     20  C   PRO A   3       1.787   4.781  -5.059  1.00 61.22           C  
ATOM     21  O   PRO A   3       1.296   3.758  -5.536  1.00  5.35           O  
ATOM     22  CB  PRO A   3       3.797   5.803  -6.160  1.00 44.04           C  
ATOM     23  CG  PRO A   3       5.065   5.162  -6.608  1.00 64.04           C  
ATOM     24  CD  PRO A   3       4.494   3.524  -6.609  1.00 73.24           C  
ATOM     25  HA  PRO A   3       3.590   5.372  -4.066  1.00 33.04           H  
ATOM     26  HB2 PRO A   3       3.059   5.813  -6.950  1.00 14.45           H  
ATOM     27  HB3 PRO A   3       3.967   6.808  -5.806  1.00  4.43           H  
ATOM     28  HG2 PRO A   3       5.101   5.133  -7.687  1.00 22.13           H  
ATOM     29  HG3 PRO A   3       5.911   5.709  -6.218  1.00 13.10           H  
ATOM     30  HD2 PRO A   3       3.715   3.173  -7.271  1.00  3.03           H  
ATOM     31  HD3 PRO A   3       5.350   2.866  -6.649  1.00 53.50           H  
HETATM   32  N   DTR A   4       1.085   5.795  -4.575  1.00 21.33           N  
HETATM   33  CA  DTR A   4      -0.368   5.766  -4.573  1.00 44.23           C  
HETATM   34  CB  DTR A   4      -0.930   6.392  -5.851  1.00 64.13           C  
HETATM   35  CG  DTR A   4      -0.494   5.683  -7.135  1.00 71.51           C  
HETATM   36  CD1 DTR A   4      -0.792   4.438  -7.531  1.00 62.54           C  
HETATM   37  NE1 DTR A   4      -0.218   4.144  -8.752  1.00  5.25           N  
HETATM   38  CE2 DTR A   4       0.490   5.269  -9.159  1.00 53.32           C  
HETATM   39  CZ2 DTR A   4       1.241   5.473 -10.323  1.00  1.22           C  
HETATM   40  CH2 DTR A   4       1.848   6.727 -10.460  1.00 51.41           C  
HETATM   41  CZ3 DTR A   4       1.683   7.685  -9.466  1.00 73.12           C  
HETATM   42  CE3 DTR A   4       0.935   7.497  -8.297  1.00 61.15           C  
HETATM   43  CD2 DTR A   4       0.335   6.231  -8.181  1.00 62.43           C  
HETATM   44  C   DTR A   4      -0.853   6.465  -3.302  1.00 10.41           C  
HETATM   45  O   DTR A   4      -1.653   7.400  -3.336  1.00 52.44           O  
HETATM   46  H   DTR A   4       1.492   6.623  -4.189  1.00 71.20           H  
HETATM   47  HA  DTR A   4      -0.680   4.722  -4.567  1.00 14.00           H  
HETATM   48  HB2 DTR A   4      -0.617   7.435  -5.901  1.00 20.01           H  
HETATM   49  HB3 DTR A   4      -2.018   6.388  -5.797  1.00 73.35           H  
HETATM   50  HD1 DTR A   4      -1.410   3.744  -6.962  1.00 20.33           H  
HETATM   51  HE1 DTR A   4      -0.303   3.203  -9.295  1.00 43.43           H  
HETATM   52  HZ2 DTR A   4       1.348   4.697 -11.081  1.00 11.32           H  
HETATM   53  HH2 DTR A   4       2.447   6.952 -11.342  1.00 62.14           H  
HETATM   54  HZ3 DTR A   4       2.170   8.650  -9.606  1.00 75.05           H  
HETATM   55  HE3 DTR A   4       0.828   8.273  -7.539  1.00 62.34           H  
ATOM     56  N   ASP A   5      -0.347   5.988  -2.170  1.00 71.34           N  
ATOM     57  CA  ASP A   5      -0.710   6.548  -0.874  1.00 32.11           C  
ATOM     58  C   ASP A   5      -0.520   8.062  -0.863  1.00 73.55           C  
ATOM     59  O   ASP A   5       0.207   8.626  -1.681  1.00  1.12           O  
ATOM     60  CB  ASP A   5       0.128   5.909   0.235  1.00 74.34           C  
ATOM     61  CG  ASP A   5      -0.645   4.863   1.014  1.00 22.41           C  
ATOM     62  OD1 ASP A   5      -1.401   4.093   0.385  1.00 24.03           O  
ATOM     63  OD2 ASP A   5      -0.494   4.814   2.253  1.00 13.31           O  
ATOM     64  H   ASP A   5       0.287   5.241  -2.208  1.00 34.41           H  
ATOM     65  HA  ASP A   5      -1.752   6.327  -0.697  1.00 51.44           H  
ATOM     66  HB2 ASP A   5       0.994   5.436  -0.205  1.00 30.11           H  
ATOM     67  HB3 ASP A   5       0.451   6.677   0.921  1.00 43.31           H  
ATOM     68  N   PRO A   6      -1.190   8.736   0.083  1.00 71.20           N  
ATOM     69  CA  PRO A   6      -1.112  10.193   0.222  1.00 25.03           C  
ATOM     70  C   PRO A   6       0.325  10.686   0.357  1.00 22.25           C  
ATOM     71  O   PRO A   6       0.616  11.856   0.108  1.00 32.33           O  
ATOM     72  CB  PRO A   6      -1.895  10.469   1.508  1.00  2.11           C  
ATOM     73  CG  PRO A   6      -1.797   9.205   2.290  1.00 32.10           C  
ATOM     74  CD  PRO A   6      -2.075   8.128   1.090  1.00 32.44           C  
ATOM     75  HA  PRO A   6      -1.587  10.697  -0.606  1.00 72.13           H  
ATOM     76  HB2 PRO A   6      -1.444  11.297   2.036  1.00  2.44           H  
ATOM     77  HB3 PRO A   6      -2.920  10.705   1.266  1.00 71.03           H  
ATOM     78  HG2 PRO A   6      -0.881   9.195   2.860  1.00  3.40           H  
ATOM     79  HG3 PRO A   6      -2.650   9.113   2.946  1.00 21.14           H  
ATOM     80  HD2 PRO A   6      -1.592   7.292   1.574  1.00 22.13           H  
ATOM     81  HD3 PRO A   6      -3.010   7.819   0.645  1.00  1.35           H  
ATOM     82  N   TRP A   7       1.219   9.787   0.753  1.00 61.33           N  
ATOM     83  CA  TRP A   7       2.626  10.131   0.920  1.00  5.04           C  
ATOM     84  C   TRP A   7       3.419   9.812  -0.342  1.00 40.35           C  
ATOM     85  O   TRP A   7       4.637   9.637  -0.295  1.00 70.13           O  
ATOM     86  CB  TRP A   7       3.218   9.378   2.113  1.00 65.33           C  
ATOM     87  CG  TRP A   7       2.918  10.023   3.432  1.00 73.13           C  
ATOM     88  CD1 TRP A   7       3.471  11.168   3.929  1.00 23.12           C  
ATOM     89  CD2 TRP A   7       1.993   9.559   4.422  1.00 62.24           C  
ATOM     90  NE1 TRP A   7       2.947  11.444   5.169  1.00 74.42           N  
ATOM     91  CE2 TRP A   7       2.037  10.472   5.493  1.00  1.11           C  
ATOM     92  CE3 TRP A   7       1.131   8.462   4.506  1.00  2.22           C  
ATOM     93  CZ2 TRP A   7       1.253  10.319   6.633  1.00 11.55           C  
ATOM     94  CZ3 TRP A   7       0.354   8.312   5.639  1.00 72.02           C  
ATOM     95  CH2 TRP A   7       0.418   9.237   6.690  1.00 61.43           C  
ATOM     96  H   TRP A   7       0.926   8.869   0.936  1.00  2.33           H  
ATOM     97  HA  TRP A   7       2.687  11.192   1.111  1.00 54.51           H  
ATOM     98  HB2 TRP A   7       2.817   8.376   2.133  1.00 63.43           H  
ATOM     99  HB3 TRP A   7       4.292   9.330   2.001  1.00 21.33           H  
ATOM    100  HD1 TRP A   7       4.213  11.758   3.414  1.00 40.45           H  
ATOM    101  HE1 TRP A   7       3.184  12.213   5.729  1.00 64.52           H  
ATOM    102  HE3 TRP A   7       1.067   7.739   3.707  1.00 65.13           H  
ATOM    103  HZ2 TRP A   7       1.291  11.024   7.452  1.00 74.24           H  
ATOM    104  HZ3 TRP A   7      -0.318   7.470   5.722  1.00  0.23           H  
ATOM    105  HH2 TRP A   7      -0.207   9.079   7.555  1.00  1.41           H  
ATOM    106  N   CYS A   8       2.721   9.739  -1.471  1.00 24.20           N  
ATOM    107  CA  CYS A   8       3.360   9.441  -2.747  1.00 72.13           C  
ATOM    108  C   CYS A   8       2.629  10.131  -3.895  1.00 75.44           C  
ATOM    109  O   CYS A   8       3.036  10.031  -5.053  1.00 22.43           O  
ATOM    110  CB  CYS A   8       3.394   7.930  -2.984  1.00 75.21           C  
ATOM    111  SG  CYS A   8       4.653   7.052  -2.004  1.00 63.52           S  
ATOM    112  H   CYS A   8       1.752   9.888  -1.445  1.00 43.40           H  
ATOM    113  HA  CYS A   8       4.372   9.813  -2.707  1.00 23.22           H  
ATOM    114  HB2 CYS A   8       2.430   7.512  -2.730  1.00 24.24           H  
ATOM    115  HB3 CYS A   8       3.597   7.741  -4.028  1.00  5.13           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   GLY A   1       1.670   0.157   0.029  1.00 72.13           N  
ATOM      2  CA  GLY A   1       1.958  -0.002  -1.385  1.00 22.34           C  
ATOM      3  C   GLY A   1       2.091   1.326  -2.103  1.00 14.15           C  
ATOM      4  O   GLY A   1       1.091   1.943  -2.473  1.00 21.33           O  
ATOM      5  H1  GLY A   1       0.867  -0.255   0.413  1.00 44.15           H  
ATOM      6  HA2 GLY A   1       2.881  -0.552  -1.493  1.00  3.11           H  
ATOM      7  HA3 GLY A   1       1.159  -0.567  -1.842  1.00 20.11           H  
ATOM      8  N   CYS A   2       3.328   1.770  -2.299  1.00 74.00           N  
ATOM      9  CA  CYS A   2       3.588   3.035  -2.975  1.00 63.12           C  
ATOM     10  C   CYS A   2       4.269   2.802  -4.321  1.00  4.22           C  
ATOM     11  O   CYS A   2       4.898   1.770  -4.556  1.00 42.22           O  
ATOM     12  CB  CYS A   2       4.461   3.936  -2.099  1.00 32.54           C  
ATOM     13  SG  CYS A   2       3.532   5.208  -1.184  1.00 41.32           S  
ATOM     14  H   CYS A   2       4.085   1.233  -1.981  1.00 13.41           H  
ATOM     15  HA  CYS A   2       2.640   3.522  -3.145  1.00 43.12           H  
ATOM     16  HB2 CYS A   2       4.980   3.325  -1.374  1.00 45.31           H  
ATOM     17  HB3 CYS A   2       5.184   4.440  -2.722  1.00 23.22           H  
ATOM     18  N   PRO A   3       4.143   3.784  -5.226  1.00 14.03           N  
ATOM     19  CA  PRO A   3       3.396   5.017  -4.957  1.00 21.30           C  
ATOM     20  C   PRO A   3       1.890   4.825  -5.101  1.00 41.52           C  
ATOM     21  O   PRO A   3       1.463   3.823  -5.671  1.00 32.40           O  
ATOM     22  CB  PRO A   3       3.916   5.986  -6.022  1.00 24.35           C  
ATOM     23  CG  PRO A   3       5.129   5.323  -6.577  1.00 63.40           C  
ATOM     24  CD  PRO A   3       4.718   3.766  -6.581  1.00 53.22           C  
ATOM     25  HA  PRO A   3       3.616   5.407  -3.974  1.00 53.21           H  
ATOM     26  HB2 PRO A   3       3.161   6.130  -6.781  1.00 71.41           H  
ATOM     27  HB3 PRO A   3       4.159   6.933  -5.564  1.00 24.35           H  
ATOM     28  HG2 PRO A   3       5.235   5.568  -7.623  1.00 23.52           H  
ATOM     29  HG3 PRO A   3       6.004   5.636  -6.026  1.00 54.41           H  
ATOM     30  HD2 PRO A   3       4.064   3.252  -7.271  1.00  3.53           H  
ATOM     31  HD3 PRO A   3       5.698   3.312  -6.577  1.00 53.05           H  
HETATM   32  N   DTR A   4       1.127   5.780  -4.589  1.00 22.22           N  
HETATM   33  CA  DTR A   4      -0.322   5.703  -4.668  1.00 44.23           C  
HETATM   34  CB  DTR A   4      -0.836   6.359  -5.951  1.00 42.13           C  
HETATM   35  CG  DTR A   4      -0.382   5.658  -7.233  1.00 51.35           C  
HETATM   36  CD1 DTR A   4      -0.707   4.431  -7.662  1.00 72.01           C  
HETATM   37  NE1 DTR A   4      -0.103   4.140  -8.869  1.00 14.25           N  
HETATM   38  CE2 DTR A   4       0.653   5.248  -9.232  1.00 40.25           C  
HETATM   39  CZ2 DTR A   4       1.448   5.447 -10.367  1.00 42.34           C  
HETATM   40  CH2 DTR A   4       2.100   6.683 -10.462  1.00 33.11           C  
HETATM   41  CZ3 DTR A   4       1.934   7.628  -9.456  1.00 74.22           C  
HETATM   42  CE3 DTR A   4       1.143   7.444  -8.316  1.00 14.33           C  
HETATM   43  CD2 DTR A   4       0.498   6.197  -8.242  1.00 63.23           C  
HETATM   44  C   DTR A   4      -0.899   6.336  -3.401  1.00  2.24           C  
HETATM   45  O   DTR A   4      -1.716   7.256  -3.444  1.00 43.24           O  
HETATM   46  H   DTR A   4       1.483   6.592  -4.127  1.00 13.41           H  
HETATM   47  HA  DTR A   4      -0.597   4.650  -4.718  1.00 34.13           H  
HETATM   48  HB2 DTR A   4      -0.499   7.396  -5.977  1.00 72.45           H  
HETATM   49  HB3 DTR A   4      -1.925   6.378  -5.926  1.00 13.41           H  
HETATM   50  HD1 DTR A   4      -1.366   3.748  -7.125  1.00 41.25           H  
HETATM   51  HE1 DTR A   4      -0.201   3.212  -9.432  1.00 55.51           H  
HETATM   52  HZ2 DTR A   4       1.554   4.682 -11.136  1.00 22.20           H  
HETATM   53  HH2 DTR A   4       2.734   6.903 -11.320  1.00 64.24           H  
HETATM   54  HZ3 DTR A   4       2.456   8.579  -9.563  1.00 31.51           H  
HETATM   55  HE3 DTR A   4       1.037   8.210  -7.547  1.00 75.21           H  
ATOM     56  N   ASP A   5      -0.452   5.819  -2.261  1.00 74.14           N  
ATOM     57  CA  ASP A   5      -0.906   6.314  -0.967  1.00 51.20           C  
ATOM     58  C   ASP A   5      -0.751   7.829  -0.880  1.00 50.33           C  
ATOM     59  O   ASP A   5       0.012   8.444  -1.626  1.00 71.43           O  
ATOM     60  CB  ASP A   5      -0.123   5.643   0.163  1.00 52.43           C  
ATOM     61  CG  ASP A   5      -0.770   4.354   0.629  1.00 63.21           C  
ATOM     62  OD1 ASP A   5      -1.430   3.688  -0.197  1.00  1.43           O  
ATOM     63  OD2 ASP A   5      -0.615   4.009   1.819  1.00 42.40           O  
ATOM     64  H   ASP A   5       0.199   5.087  -2.292  1.00 34.53           H  
ATOM     65  HA  ASP A   5      -1.952   6.066  -0.865  1.00 24.33           H  
ATOM     66  HB2 ASP A   5       0.875   5.419  -0.184  1.00 22.22           H  
ATOM     67  HB3 ASP A   5      -0.065   6.320   1.002  1.00  4.14           H  
ATOM     68  N   PRO A   6      -1.492   8.448   0.051  1.00  1.00           N  
ATOM     69  CA  PRO A   6      -1.455   9.899   0.257  1.00 25.11           C  
ATOM     70  C   PRO A   6      -0.040  10.413   0.502  1.00 51.44           C  
ATOM     71  O   PRO A   6       0.239  11.599   0.321  1.00 31.31           O  
ATOM     72  CB  PRO A   6      -2.321  10.103   1.503  1.00 65.33           C  
ATOM     73  CG  PRO A   6      -2.622   8.725   1.984  1.00 50.50           C  
ATOM     74  CD  PRO A   6      -2.423   7.779   0.975  1.00 21.31           C  
ATOM     75  HA  PRO A   6      -1.890  10.429  -0.577  1.00 51.40           H  
ATOM     76  HB2 PRO A   6      -1.768  10.668   2.240  1.00 24.30           H  
ATOM     77  HB3 PRO A   6      -3.222  10.634   1.236  1.00 60.40           H  
ATOM     78  HG2 PRO A   6      -1.984   8.480   2.819  1.00  3.31           H  
ATOM     79  HG3 PRO A   6      -3.661   8.657   2.271  1.00 61.41           H  
ATOM     80  HD2 PRO A   6      -1.951   6.933   1.452  1.00 20.42           H  
ATOM     81  HD3 PRO A   6      -3.321   7.471   0.460  1.00 14.45           H  
ATOM     82  N   TRP A   7       0.848   9.516   0.912  1.00 30.44           N  
ATOM     83  CA  TRP A   7       2.235   9.880   1.181  1.00 35.21           C  
ATOM     84  C   TRP A   7       3.109   9.632  -0.043  1.00  4.22           C  
ATOM     85  O   TRP A   7       4.326   9.477   0.072  1.00 14.32           O  
ATOM     86  CB  TRP A   7       2.769   9.087   2.375  1.00 65.23           C  
ATOM     87  CG  TRP A   7       3.189   9.953   3.523  1.00  2.24           C  
ATOM     88  CD1 TRP A   7       4.424  10.497   3.731  1.00  4.40           C  
ATOM     89  CD2 TRP A   7       2.374  10.373   4.623  1.00 53.02           C  
ATOM     90  NE1 TRP A   7       4.426  11.230   4.893  1.00 10.23           N  
ATOM     91  CE2 TRP A   7       3.180  11.170   5.459  1.00 53.54           C  
ATOM     92  CE3 TRP A   7       1.041  10.155   4.981  1.00 32.24           C  
ATOM     93  CZ2 TRP A   7       2.695  11.747   6.630  1.00 41.35           C  
ATOM     94  CZ3 TRP A   7       0.562  10.728   6.144  1.00 75.30           C  
ATOM     95  CH2 TRP A   7       1.386  11.517   6.956  1.00 25.14           C  
ATOM     96  H   TRP A   7       0.565   8.585   1.038  1.00  1.41           H  
ATOM     97  HA  TRP A   7       2.259  10.933   1.420  1.00 63.11           H  
ATOM     98  HB2 TRP A   7       2.001   8.416   2.727  1.00 74.31           H  
ATOM     99  HB3 TRP A   7       3.628   8.511   2.059  1.00 12.32           H  
ATOM    100  HD1 TRP A   7       5.267  10.361   3.071  1.00 44.30           H  
ATOM    101  HE1 TRP A   7       5.195  11.718   5.257  1.00 32.11           H  
ATOM    102  HE3 TRP A   7       0.389   9.550   4.368  1.00 24.42           H  
ATOM    103  HZ2 TRP A   7       3.318  12.359   7.266  1.00 22.50           H  
ATOM    104  HZ3 TRP A   7      -0.466  10.570   6.438  1.00 61.44           H  
ATOM    105  HH2 TRP A   7       0.970  11.944   7.855  1.00 11.24           H  
ATOM    106  N   CYS A   8       2.484   9.596  -1.215  1.00 12.35           N  
ATOM    107  CA  CYS A   8       3.205   9.367  -2.460  1.00 43.45           C  
ATOM    108  C   CYS A   8       2.529  10.091  -3.621  1.00 42.24           C  
ATOM    109  O   CYS A   8       1.710  10.986  -3.414  1.00 52.34           O  
ATOM    110  CB  CYS A   8       3.288   7.869  -2.758  1.00 62.02           C  
ATOM    111  SG  CYS A   8       4.515   6.977  -1.749  1.00 13.11           S  
ATOM    112  H   CYS A   8       1.512   9.727  -1.242  1.00 70.23           H  
ATOM    113  HA  CYS A   8       4.205   9.758  -2.342  1.00 75.20           H  
ATOM    114  HB2 CYS A   8       2.323   7.419  -2.574  1.00 42.33           H  
ATOM    115  HB3 CYS A   8       3.552   7.730  -3.796  1.00 41.02           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   GLY A   1       0.672  -0.475  -1.239  1.00  4.54           N  
ATOM      2  CA  GLY A   1       2.039   0.010  -1.301  1.00 20.33           C  
ATOM      3  C   GLY A   1       2.144   1.366  -1.970  1.00 32.23           C  
ATOM      4  O   GLY A   1       1.150   2.082  -2.098  1.00 61.30           O  
ATOM      5  H1  GLY A   1      -0.009   0.048  -0.766  1.00 75.33           H  
ATOM      6  HA2 GLY A   1       2.429   0.084  -0.297  1.00  0.05           H  
ATOM      7  HA3 GLY A   1       2.635  -0.700  -1.856  1.00  1.40           H  
ATOM      8  N   CYS A   2       3.351   1.722  -2.396  1.00 71.43           N  
ATOM      9  CA  CYS A   2       3.583   3.002  -3.054  1.00 25.21           C  
ATOM     10  C   CYS A   2       4.248   2.802  -4.413  1.00 54.43           C  
ATOM     11  O   CYS A   2       4.887   1.784  -4.676  1.00 63.21           O  
ATOM     12  CB  CYS A   2       4.456   3.900  -2.175  1.00 22.55           C  
ATOM     13  SG  CYS A   2       3.523   5.143  -1.224  1.00 63.42           S  
ATOM     14  H   CYS A   2       4.105   1.108  -2.265  1.00 72.14           H  
ATOM     15  HA  CYS A   2       2.626   3.478  -3.201  1.00 42.12           H  
ATOM     16  HB2 CYS A   2       4.995   3.284  -1.469  1.00  3.33           H  
ATOM     17  HB3 CYS A   2       5.163   4.425  -2.799  1.00 40.03           H  
ATOM     18  N   PRO A   3       4.093   3.798  -5.299  1.00 22.12           N  
ATOM     19  CA  PRO A   3       3.333   5.015  -4.997  1.00 63.34           C  
ATOM     20  C   PRO A   3       1.828   4.804  -5.123  1.00  3.31           C  
ATOM     21  O   PRO A   3       1.407   3.805  -5.704  1.00 12.24           O  
ATOM     22  CB  PRO A   3       3.824   6.010  -6.052  1.00 70.42           C  
ATOM     23  CG  PRO A   3       5.120   5.449  -6.528  1.00 12.32           C  
ATOM     24  CD  PRO A   3       4.648   3.812  -6.663  1.00 21.03           C  
ATOM     25  HA  PRO A   3       3.562   5.391  -4.011  1.00 41.21           H  
ATOM     26  HB2 PRO A   3       3.102   6.073  -6.854  1.00 51.12           H  
ATOM     27  HB3 PRO A   3       3.956   6.982  -5.602  1.00 21.35           H  
ATOM     28  HG2 PRO A   3       5.343   5.826  -7.514  1.00 73.34           H  
ATOM     29  HG3 PRO A   3       5.908   5.711  -5.838  1.00  0.54           H  
ATOM     30  HD2 PRO A   3       3.868   3.677  -7.398  1.00 25.03           H  
ATOM     31  HD3 PRO A   3       5.411   3.056  -6.776  1.00 32.43           H  
HETATM   32  N   DTR A   4       1.060   5.739  -4.583  1.00 34.41           N  
HETATM   33  CA  DTR A   4      -0.389   5.643  -4.642  1.00 60.55           C  
HETATM   34  CB  DTR A   4      -0.933   6.327  -5.898  1.00 63.43           C  
HETATM   35  CG  DTR A   4      -0.414   5.728  -7.207  1.00 45.22           C  
HETATM   36  CD1 DTR A   4      -0.718   4.541  -7.750  1.00 12.41           C  
HETATM   37  NE1 DTR A   4      -0.052   4.345  -8.942  1.00 72.44           N  
HETATM   38  CE2 DTR A   4       0.725   5.473  -9.176  1.00 12.43           C  
HETATM   39  CZ2 DTR A   4       1.579   5.758 -10.248  1.00 23.03           C  
HETATM   40  CH2 DTR A   4       2.238   6.993 -10.208  1.00 35.10           C  
HETATM   41  CZ3 DTR A   4       2.021   7.855  -9.139  1.00 54.05           C  
HETATM   42  CE3 DTR A   4       1.170   7.586  -8.061  1.00 22.55           C  
HETATM   43  CD2 DTR A   4       0.520   6.340  -8.122  1.00  1.42           C  
HETATM   44  C   DTR A   4      -0.955   6.231  -3.349  1.00 35.44           C  
HETATM   45  O   DTR A   4      -1.791   7.135  -3.354  1.00 20.12           O  
HETATM   46  H   DTR A   4       1.410   6.548  -4.112  1.00 44.22           H  
HETATM   47  HA  DTR A   4      -0.650   4.587  -4.718  1.00 31.03           H  
HETATM   48  HB2 DTR A   4      -0.671   7.384  -5.866  1.00 13.45           H  
HETATM   49  HB3 DTR A   4      -2.021   6.267  -5.890  1.00 30.11           H  
HETATM   50  HD1 DTR A   4      -1.406   3.822  -7.305  1.00 62.03           H  
HETATM   51  HE1 DTR A   4      -0.122   3.466  -9.583  1.00 74.24           H  
HETATM   52  HZ2 DTR A   4       1.724   5.056 -11.069  1.00 20.02           H  
HETATM   53  HH2 DTR A   4       2.917   7.277 -11.011  1.00 41.04           H  
HETATM   54  HZ3 DTR A   4       2.550   8.808  -9.142  1.00 31.23           H  
HETATM   55  HE3 DTR A   4       1.025   8.288  -7.239  1.00 63.54           H  
ATOM     56  N   ASP A   5      -0.478   5.693  -2.231  1.00 75.05           N  
ATOM     57  CA  ASP A   5      -0.918   6.145  -0.917  1.00 13.43           C  
ATOM     58  C   ASP A   5      -0.791   7.661  -0.793  1.00 35.51           C  
ATOM     59  O   ASP A   5      -0.054   8.309  -1.536  1.00 13.14           O  
ATOM     60  CB  ASP A   5      -0.102   5.461   0.181  1.00 10.40           C  
ATOM     61  CG  ASP A   5      -0.681   4.119   0.582  1.00 73.10           C  
ATOM     62  OD1 ASP A   5      -1.909   3.938   0.445  1.00 51.30           O  
ATOM     63  OD2 ASP A   5       0.093   3.249   1.034  1.00 42.24           O  
ATOM     64  H   ASP A   5       0.186   4.975  -2.292  1.00 62.14           H  
ATOM     65  HA  ASP A   5      -1.957   5.873  -0.803  1.00  3.33           H  
ATOM     66  HB2 ASP A   5       0.907   5.306  -0.173  1.00 73.44           H  
ATOM     67  HB3 ASP A   5      -0.079   6.098   1.053  1.00 44.31           H  
ATOM     68  N   PRO A   6      -1.528   8.240   0.167  1.00 23.21           N  
ATOM     69  CA  PRO A   6      -1.515   9.685   0.410  1.00 11.35           C  
ATOM     70  C   PRO A   6      -0.107  10.222   0.643  1.00 22.20           C  
ATOM     71  O   PRO A   6       0.146  11.417   0.488  1.00 35.31           O  
ATOM     72  CB  PRO A   6      -2.362   9.839   1.676  1.00  2.24           C  
ATOM     73  CG  PRO A   6      -2.129   8.583   2.443  1.00 51.12           C  
ATOM     74  CD  PRO A   6      -2.429   7.528   1.089  1.00  4.22           C  
ATOM     75  HA  PRO A   6      -1.976  10.228  -0.401  1.00 54.44           H  
ATOM     76  HB2 PRO A   6      -2.032  10.707   2.230  1.00 51.54           H  
ATOM     77  HB3 PRO A   6      -3.401   9.950   1.407  1.00 14.43           H  
ATOM     78  HG2 PRO A   6      -1.105   8.543   2.781  1.00 43.54           H  
ATOM     79  HG3 PRO A   6      -2.805   8.536   3.284  1.00 51.13           H  
ATOM     80  HD2 PRO A   6      -1.932   6.680   1.536  1.00 62.44           H  
ATOM     81  HD3 PRO A   6      -3.330   7.216   0.582  1.00 10.44           H  
ATOM     82  N   TRP A   7       0.806   9.332   1.015  1.00 61.13           N  
ATOM     83  CA  TRP A   7       2.190   9.717   1.268  1.00 31.01           C  
ATOM     84  C   TRP A   7       3.047   9.519   0.023  1.00 72.33           C  
ATOM     85  O   TRP A   7       4.268   9.386   0.112  1.00 52.02           O  
ATOM     86  CB  TRP A   7       2.762   8.904   2.431  1.00 42.52           C  
ATOM     87  CG  TRP A   7       3.169   9.748   3.601  1.00 30.32           C  
ATOM     88  CD1 TRP A   7       4.409   9.818   4.169  1.00 31.45           C  
ATOM     89  CD2 TRP A   7       2.333  10.639   4.347  1.00 52.10           C  
ATOM     90  NE1 TRP A   7       4.394  10.699   5.224  1.00 72.33           N  
ATOM     91  CE2 TRP A   7       3.132  11.217   5.353  1.00 63.33           C  
ATOM     92  CE3 TRP A   7       0.987  11.007   4.262  1.00 45.11           C  
ATOM     93  CZ2 TRP A   7       2.629  12.140   6.265  1.00 34.10           C  
ATOM     94  CZ3 TRP A   7       0.489  11.923   5.168  1.00 11.33           C  
ATOM     95  CH2 TRP A   7       1.308  12.482   6.159  1.00 71.03           C  
ATOM     96  H   TRP A   7       0.544   8.393   1.121  1.00 12.35           H  
ATOM     97  HA  TRP A   7       2.198  10.764   1.534  1.00 63.22           H  
ATOM     98  HB2 TRP A   7       2.018   8.200   2.770  1.00 30.13           H  
ATOM     99  HB3 TRP A   7       3.634   8.365   2.089  1.00 53.25           H  
ATOM    100  HD1 TRP A   7       5.265   9.255   3.831  1.00 45.34           H  
ATOM    101  HE1 TRP A   7       5.163  10.921   5.790  1.00 53.10           H  
ATOM    102  HE3 TRP A   7       0.340  10.588   3.506  1.00 64.34           H  
ATOM    103  HZ2 TRP A   7       3.247  12.580   7.034  1.00 61.03           H  
ATOM    104  HZ3 TRP A   7      -0.549  12.219   5.118  1.00  3.54           H  
ATOM    105  HH2 TRP A   7       0.876  13.193   6.845  1.00  0.44           H  
ATOM    106  N   CYS A   8       2.401   9.500  -1.138  1.00 75.31           N  
ATOM    107  CA  CYS A   8       3.103   9.317  -2.402  1.00 44.43           C  
ATOM    108  C   CYS A   8       2.392  10.057  -3.532  1.00  1.23           C  
ATOM    109  O   CYS A   8       3.011  10.821  -4.272  1.00 41.34           O  
ATOM    110  CB  CYS A   8       3.210   7.829  -2.741  1.00  0.14           C  
ATOM    111  SG  CYS A   8       4.470   6.936  -1.775  1.00 31.53           S  
ATOM    112  H   CYS A   8       1.426   9.611  -1.145  1.00 71.31           H  
ATOM    113  HA  CYS A   8       4.097   9.724  -2.292  1.00 12.54           H  
ATOM    114  HB2 CYS A   8       2.257   7.356  -2.553  1.00 50.00           H  
ATOM    115  HB3 CYS A   8       3.459   7.722  -3.786  1.00  4.31           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   GLY A   1       1.230   0.285  -0.055  1.00 10.22           N  
ATOM      2  CA  GLY A   1       1.961   0.031  -1.283  1.00 13.33           C  
ATOM      3  C   GLY A   1       2.102   1.273  -2.140  1.00 64.04           C  
ATOM      4  O   GLY A   1       1.171   1.658  -2.847  1.00 54.04           O  
ATOM      5  H1  GLY A   1       1.540  -0.109   0.788  1.00 55.53           H  
ATOM      6  HA2 GLY A   1       2.945  -0.336  -1.034  1.00  1.15           H  
ATOM      7  HA3 GLY A   1       1.438  -0.725  -1.849  1.00 71.51           H  
ATOM      8  N   CYS A   2       3.271   1.903  -2.078  1.00 54.10           N  
ATOM      9  CA  CYS A   2       3.531   3.110  -2.853  1.00 44.00           C  
ATOM     10  C   CYS A   2       4.126   2.764  -4.215  1.00 42.00           C  
ATOM     11  O   CYS A   2       4.707   1.697  -4.414  1.00 22.25           O  
ATOM     12  CB  CYS A   2       4.481   4.036  -2.090  1.00 53.10           C  
ATOM     13  SG  CYS A   2       3.646   5.399  -1.215  1.00 24.53           S  
ATOM     14  H   CYS A   2       3.975   1.548  -1.496  1.00 25.33           H  
ATOM     15  HA  CYS A   2       2.591   3.618  -3.003  1.00 72.33           H  
ATOM     16  HB2 CYS A   2       5.022   3.458  -1.356  1.00 22.34           H  
ATOM     17  HB3 CYS A   2       5.182   4.472  -2.786  1.00  2.24           H  
ATOM     18  N   PRO A   3       3.979   3.687  -5.177  1.00 11.33           N  
ATOM     19  CA  PRO A   3       3.289   4.961  -4.952  1.00 73.13           C  
ATOM     20  C   PRO A   3       1.772   4.814  -4.999  1.00 14.22           C  
ATOM     21  O   PRO A   3       1.280   3.791  -5.473  1.00 44.13           O  
ATOM     22  CB  PRO A   3       3.777   5.837  -6.108  1.00 51.53           C  
ATOM     23  CG  PRO A   3       5.126   5.303  -6.446  1.00 31.15           C  
ATOM     24  CD  PRO A   3       4.474   3.559  -6.558  1.00 22.35           C  
ATOM     25  HA  PRO A   3       3.577   5.408  -4.012  1.00 42.34           H  
ATOM     26  HB2 PRO A   3       3.096   5.749  -6.943  1.00 72.21           H  
ATOM     27  HB3 PRO A   3       3.829   6.867  -5.787  1.00 63.21           H  
ATOM     28  HG2 PRO A   3       5.373   5.548  -7.467  1.00 43.11           H  
ATOM     29  HG3 PRO A   3       5.862   5.714  -5.771  1.00 23.34           H  
ATOM     30  HD2 PRO A   3       3.674   3.288  -7.231  1.00 23.24           H  
ATOM     31  HD3 PRO A   3       5.277   2.838  -6.613  1.00 12.01           H  
HETATM   32  N   DTR A   4       1.070   5.827  -4.512  1.00  3.41           N  
HETATM   33  CA  DTR A   4      -0.382   5.797  -4.505  1.00 53.30           C  
HETATM   34  CB  DTR A   4      -0.949   6.390  -5.796  1.00 51.54           C  
HETATM   35  CG  DTR A   4      -0.548   5.627  -7.060  1.00 54.03           C  
HETATM   36  CD1 DTR A   4      -0.916   4.393  -7.430  1.00 32.40           C  
HETATM   37  NE1 DTR A   4      -0.353   4.038  -8.639  1.00 21.22           N  
HETATM   38  CE2 DTR A   4       0.421   5.110  -9.067  1.00 63.22           C  
HETATM   39  CZ2 DTR A   4       1.190   5.242 -10.230  1.00  3.13           C  
HETATM   40  CH2 DTR A   4       1.870   6.455 -10.391  1.00 42.15           C  
HETATM   41  CZ3 DTR A   4       1.756   7.444  -9.421  1.00 74.31           C  
HETATM   42  CE3 DTR A   4       0.991   7.327  -8.254  1.00  4.12           C  
HETATM   43  CD2 DTR A   4       0.318   6.101  -8.113  1.00 13.11           C  
HETATM   44  C   DTR A   4      -0.865   6.527  -3.250  1.00  5.31           C  
HETATM   45  O   DTR A   4      -1.655   7.469  -3.306  1.00 54.10           O  
HETATM   46  H   DTR A   4       1.478   6.656  -4.128  1.00 34.02           H  
HETATM   47  HA  DTR A   4      -0.694   4.753  -4.472  1.00  2.31           H  
HETATM   48  HB2 DTR A   4      -0.614   7.424  -5.887  1.00 73.11           H  
HETATM   49  HB3 DTR A   4      -2.037   6.413  -5.727  1.00 62.22           H  
HETATM   50  HD1 DTR A   4      -1.577   3.750  -6.849  1.00 32.41           H  
HETATM   51  HE1 DTR A   4      -0.490   3.091  -9.161  1.00 41.14           H  
HETATM   52  HZ2 DTR A   4       1.256   4.444 -10.969  1.00 32.21           H  
HETATM   53  HH2 DTR A   4       2.487   6.624 -11.274  1.00 72.54           H  
HETATM   54  HZ3 DTR A   4       2.299   8.375  -9.580  1.00 51.21           H  
HETATM   55  HE3 DTR A   4       0.926   8.125  -7.515  1.00 13.44           H  
ATOM     56  N   ASP A   5      -0.367   6.068  -2.107  1.00 44.01           N  
ATOM     57  CA  ASP A   5      -0.728   6.658  -0.824  1.00  1.44           C  
ATOM     58  C   ASP A   5      -0.523   8.170  -0.844  1.00 31.13           C  
ATOM     59  O   ASP A   5       0.212   8.710  -1.670  1.00 44.40           O  
ATOM     60  CB  ASP A   5       0.100   6.034   0.300  1.00 23.14           C  
ATOM     61  CG  ASP A   5      -0.540   4.781   0.864  1.00 34.13           C  
ATOM     62  OD1 ASP A   5      -0.642   3.782   0.123  1.00 65.44           O  
ATOM     63  OD2 ASP A   5      -0.942   4.800   2.047  1.00 63.00           O  
ATOM     64  H   ASP A   5       0.260   5.314  -2.127  1.00 52.24           H  
ATOM     65  HA  ASP A   5      -1.772   6.452  -0.646  1.00 35.22           H  
ATOM     66  HB2 ASP A   5       1.077   5.775  -0.082  1.00  1.21           H  
ATOM     67  HB3 ASP A   5       0.210   6.752   1.100  1.00 73.03           H  
ATOM     68  N   PRO A   6      -1.189   8.870   0.086  1.00 11.14           N  
ATOM     69  CA  PRO A   6      -1.097  10.329   0.196  1.00 44.00           C  
ATOM     70  C   PRO A   6       0.344  10.810   0.326  1.00  4.35           C  
ATOM     71  O   PRO A   6       0.647  11.972   0.055  1.00 44.13           O  
ATOM     72  CB  PRO A   6      -1.882  10.639   1.473  1.00 42.32           C  
ATOM     73  CG  PRO A   6      -1.835   9.377   2.262  1.00 34.23           C  
ATOM     74  CD  PRO A   6      -2.083   8.291   1.103  1.00 14.52           C  
ATOM     75  HA  PRO A   6      -1.564  10.820  -0.645  1.00 14.44           H  
ATOM     76  HB2 PRO A   6      -1.407  11.454   2.001  1.00 11.31           H  
ATOM     77  HB3 PRO A   6      -2.896  10.909   1.220  1.00 41.35           H  
ATOM     78  HG2 PRO A   6      -0.818   9.163   2.553  1.00 33.24           H  
ATOM     79  HG3 PRO A   6      -2.466   9.466   3.135  1.00 41.54           H  
ATOM     80  HD2 PRO A   6      -1.610   7.461   1.606  1.00 60.15           H  
ATOM     81  HD3 PRO A   6      -3.020   7.984   0.662  1.00 61.33           H  
ATOM     82  N   TRP A   7       1.228   9.911   0.743  1.00 30.30           N  
ATOM     83  CA  TRP A   7       2.638  10.245   0.909  1.00 61.52           C  
ATOM     84  C   TRP A   7       3.432   9.893  -0.345  1.00 12.04           C  
ATOM     85  O   TRP A   7       4.648   9.707  -0.290  1.00 32.13           O  
ATOM     86  CB  TRP A   7       3.219   9.509   2.118  1.00 54.40           C  
ATOM     87  CG  TRP A   7       2.828  10.122   3.429  1.00 22.41           C  
ATOM     88  CD1 TRP A   7       3.221  11.336   3.916  1.00 32.30           C  
ATOM     89  CD2 TRP A   7       1.970   9.548   4.421  1.00 21.31           C  
ATOM     90  NE1 TRP A   7       2.658  11.551   5.151  1.00 25.01           N  
ATOM     91  CE2 TRP A   7       1.886  10.469   5.483  1.00  2.51           C  
ATOM     92  CE3 TRP A   7       1.263   8.346   4.515  1.00 52.20           C  
ATOM     93  CZ2 TRP A   7       1.125  10.224   6.623  1.00 53.44           C  
ATOM     94  CZ3 TRP A   7       0.508   8.104   5.647  1.00 53.33           C  
ATOM     95  CH2 TRP A   7       0.443   9.040   6.688  1.00 73.11           C  
ATOM     96  H   TRP A   7       0.925   9.000   0.944  1.00  4.10           H  
ATOM     97  HA  TRP A   7       2.708  11.309   1.078  1.00 20.15           H  
ATOM     98  HB2 TRP A   7       2.871   8.487   2.111  1.00 42.21           H  
ATOM     99  HB3 TRP A   7       4.297   9.520   2.052  1.00 21.23           H  
ATOM    100  HD1 TRP A   7       3.879  12.015   3.396  1.00 12.13           H  
ATOM    101  HE1 TRP A   7       2.788  12.351   5.703  1.00 23.55           H  
ATOM    102  HE3 TRP A   7       1.300   7.613   3.723  1.00 23.30           H  
ATOM    103  HZ2 TRP A   7       1.064  10.936   7.433  1.00 31.34           H  
ATOM    104  HZ3 TRP A   7      -0.045   7.181   5.737  1.00 33.12           H  
ATOM    105  HH2 TRP A   7      -0.159   8.809   7.553  1.00 33.11           H  
ATOM    106  N   CYS A   8       2.737   9.804  -1.474  1.00 22.31           N  
ATOM    107  CA  CYS A   8       3.377   9.474  -2.742  1.00 10.23           C  
ATOM    108  C   CYS A   8       2.655  10.146  -3.906  1.00 42.31           C  
ATOM    109  O   CYS A   8       3.146  10.149  -5.035  1.00 63.30           O  
ATOM    110  CB  CYS A   8       3.398   7.958  -2.947  1.00 44.24           C  
ATOM    111  SG  CYS A   8       4.651   7.090  -1.950  1.00  4.21           S  
ATOM    112  H   CYS A   8       1.769   9.963  -1.454  1.00 45.13           H  
ATOM    113  HA  CYS A   8       4.392   9.838  -2.706  1.00  5.14           H  
ATOM    114  HB2 CYS A   8       2.432   7.553  -2.684  1.00 50.41           H  
ATOM    115  HB3 CYS A   8       3.600   7.746  -3.987  1.00  4.51           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   GLY A   1       2.120   0.623   0.942  1.00 31.22           N  
ATOM      2  CA  GLY A   1       2.031   0.445  -0.495  1.00 74.23           C  
ATOM      3  C   GLY A   1       2.205   1.746  -1.253  1.00  1.24           C  
ATOM      4  O   GLY A   1       1.421   2.681  -1.085  1.00 72.44           O  
ATOM      5  H1  GLY A   1       2.766   1.258   1.316  1.00 22.31           H  
ATOM      6  HA2 GLY A   1       2.797  -0.248  -0.810  1.00 32.24           H  
ATOM      7  HA3 GLY A   1       1.063   0.029  -0.736  1.00 10.24           H  
ATOM      8  N   CYS A   2       3.237   1.809  -2.087  1.00 42.52           N  
ATOM      9  CA  CYS A   2       3.515   3.006  -2.872  1.00 14.52           C  
ATOM     10  C   CYS A   2       4.106   2.641  -4.230  1.00 42.43           C  
ATOM     11  O   CYS A   2       4.676   1.566  -4.418  1.00 40.45           O  
ATOM     12  CB  CYS A   2       4.475   3.926  -2.115  1.00 42.24           C  
ATOM     13  SG  CYS A   2       3.658   5.307  -1.253  1.00  1.11           S  
ATOM     14  H   CYS A   2       3.828   1.031  -2.178  1.00 12.53           H  
ATOM     15  HA  CYS A   2       2.581   3.525  -3.027  1.00 50.23           H  
ATOM     16  HB2 CYS A   2       5.008   3.347  -1.375  1.00 60.13           H  
ATOM     17  HB3 CYS A   2       5.183   4.347  -2.814  1.00 25.13           H  
ATOM     18  N   PRO A   3       3.969   3.557  -5.201  1.00 12.23           N  
ATOM     19  CA  PRO A   3       3.292   4.840  -4.988  1.00 50.04           C  
ATOM     20  C   PRO A   3       1.774   4.710  -5.044  1.00 14.53           C  
ATOM     21  O   PRO A   3       1.274   3.669  -5.465  1.00 74.42           O  
ATOM     22  CB  PRO A   3       3.797   5.704  -6.147  1.00 25.33           C  
ATOM     23  CG  PRO A   3       3.511   4.902  -7.370  1.00  2.53           C  
ATOM     24  CD  PRO A   3       4.463   3.410  -6.580  1.00  2.40           C  
ATOM     25  HA  PRO A   3       3.580   5.290  -4.049  1.00 72.15           H  
ATOM     26  HB2 PRO A   3       3.265   6.645  -6.156  1.00 65.43           H  
ATOM     27  HB3 PRO A   3       4.856   5.883  -6.031  1.00 52.25           H  
ATOM     28  HG2 PRO A   3       2.747   4.170  -7.157  1.00 73.33           H  
ATOM     29  HG3 PRO A   3       4.413   4.418  -7.710  1.00 62.55           H  
ATOM     30  HD2 PRO A   3       3.963   2.597  -7.084  1.00 41.14           H  
ATOM     31  HD3 PRO A   3       5.533   3.263  -6.592  1.00  2.24           H  
HETATM   32  N   DTR A   4       1.081   5.758  -4.623  1.00  0.55           N  
HETATM   33  CA  DTR A   4      -0.372   5.748  -4.630  1.00 61.54           C  
HETATM   34  CB  DTR A   4      -0.918   6.386  -5.909  1.00 72.31           C  
HETATM   35  CG  DTR A   4      -0.286   5.846  -7.193  1.00 62.44           C  
HETATM   36  CD1 DTR A   4      -0.389   4.613  -7.709  1.00 12.01           C  
HETATM   37  NE1 DTR A   4       0.323   4.495  -8.885  1.00 54.43           N  
HETATM   38  CE2 DTR A   4       0.917   5.727  -9.136  1.00 73.35           C  
HETATM   39  CZ2 DTR A   4       1.736   6.117 -10.202  1.00 64.12           C  
HETATM   40  CH2 DTR A   4       2.191   7.441 -10.185  1.00 62.13           C  
HETATM   41  CZ3 DTR A   4       1.820   8.283  -9.144  1.00  5.24           C  
HETATM   42  CE3 DTR A   4       1.002   7.909  -8.071  1.00 61.32           C  
HETATM   43  CD2 DTR A   4       0.557   6.575  -8.109  1.00 45.54           C  
HETATM   44  C   DTR A   4      -0.857   6.447  -3.359  1.00 21.10           C  
HETATM   45  O   DTR A   4      -1.648   7.390  -3.394  1.00 62.21           O  
HETATM   46  H   DTR A   4       1.495   6.602  -4.281  1.00 44.12           H  
HETATM   47  HA  DTR A   4      -0.697   4.707  -4.631  1.00 13.22           H  
HETATM   48  HB2 DTR A   4      -0.758   7.463  -5.863  1.00 22.14           H  
HETATM   49  HB3 DTR A   4      -1.996   6.225  -5.951  1.00 45.45           H  
HETATM   50  HD1 DTR A   4      -0.964   3.805  -7.256  1.00 24.11           H  
HETATM   51  HE1 DTR A   4       0.404   3.601  -9.504  1.00  1.55           H  
HETATM   52  HZ2 DTR A   4       2.006   5.427 -11.002  1.00 51.20           H  
HETATM   53  HH2 DTR A   4       2.833   7.809 -10.985  1.00 42.44           H  
HETATM   54  HZ3 DTR A   4       2.193   9.307  -9.163  1.00 42.31           H  
HETATM   55  HE3 DTR A   4       0.733   8.598  -7.271  1.00 54.44           H  
ATOM     56  N   ASP A   5      -0.361   5.960  -2.227  1.00 14.24           N  
ATOM     57  CA  ASP A   5      -0.726   6.519  -0.930  1.00  4.31           C  
ATOM     58  C   ASP A   5      -0.521   8.031  -0.913  1.00 75.02           C  
ATOM     59  O   ASP A   5       0.216   8.591  -1.725  1.00 13.54           O  
ATOM     60  CB  ASP A   5       0.101   5.868   0.180  1.00 13.34           C  
ATOM     61  CG  ASP A   5      -0.716   4.909   1.023  1.00 13.15           C  
ATOM     62  OD1 ASP A   5      -1.298   3.964   0.451  1.00 51.31           O  
ATOM     63  OD2 ASP A   5      -0.775   5.104   2.256  1.00 63.31           O  
ATOM     64  H   ASP A   5       0.265   5.207  -2.264  1.00  2.13           H  
ATOM     65  HA  ASP A   5      -1.770   6.308  -0.759  1.00 54.03           H  
ATOM     66  HB2 ASP A   5       0.919   5.320  -0.263  1.00 45.41           H  
ATOM     67  HB3 ASP A   5       0.496   6.639   0.825  1.00  1.30           H  
ATOM     68  N   PRO A   6      -1.190   8.708   0.032  1.00 50.31           N  
ATOM     69  CA  PRO A   6      -1.099  10.164   0.177  1.00 45.23           C  
ATOM     70  C   PRO A   6       0.342  10.643   0.320  1.00  1.05           C  
ATOM     71  O   PRO A   6       0.645  11.811   0.076  1.00 61.35           O  
ATOM     72  CB  PRO A   6      -1.885  10.443   1.460  1.00 53.23           C  
ATOM     73  CG  PRO A   6      -1.995   9.119   2.132  1.00 31.44           C  
ATOM     74  CD  PRO A   6      -2.086   8.105   1.032  1.00 14.03           C  
ATOM     75  HA  PRO A   6      -1.566  10.675  -0.652  1.00 45.54           H  
ATOM     76  HB2 PRO A   6      -1.344  11.153   2.069  1.00 14.34           H  
ATOM     77  HB3 PRO A   6      -2.858  10.841   1.211  1.00 44.13           H  
ATOM     78  HG2 PRO A   6      -1.069   8.883   2.634  1.00 43.42           H  
ATOM     79  HG3 PRO A   6      -2.812   9.132   2.838  1.00 14.42           H  
ATOM     80  HD2 PRO A   6      -1.614   7.263   1.516  1.00 62.25           H  
ATOM     81  HD3 PRO A   6      -3.022   7.808   0.581  1.00 23.34           H  
ATOM     82  N   TRP A   7       1.225   9.735   0.718  1.00 23.42           N  
ATOM     83  CA  TRP A   7       2.635  10.065   0.894  1.00 40.21           C  
ATOM     84  C   TRP A   7       3.431   9.744  -0.366  1.00 53.14           C  
ATOM     85  O   TRP A   7       4.649   9.569  -0.316  1.00 55.00           O  
ATOM     86  CB  TRP A   7       3.214   9.302   2.086  1.00 23.30           C  
ATOM     87  CG  TRP A   7       2.967   9.977   3.401  1.00 73.10           C  
ATOM     88  CD1 TRP A   7       3.646  11.045   3.915  1.00 72.43           C  
ATOM     89  CD2 TRP A   7       1.971   9.628   4.369  1.00  3.42           C  
ATOM     90  NE1 TRP A   7       3.132  11.381   5.144  1.00 24.11           N  
ATOM     91  CE2 TRP A   7       2.104  10.528   5.445  1.00 32.22           C  
ATOM     92  CE3 TRP A   7       0.980   8.646   4.431  1.00 33.32           C  
ATOM     93  CZ2 TRP A   7       1.283  10.471   6.568  1.00 34.11           C  
ATOM     94  CZ3 TRP A   7       0.166   8.590   5.546  1.00 13.35           C  
ATOM     95  CH2 TRP A   7       0.320   9.499   6.602  1.00 23.43           C  
ATOM     96  H   TRP A   7       0.923   8.820   0.898  1.00 32.41           H  
ATOM     97  HA  TRP A   7       2.704  11.125   1.089  1.00 41.20           H  
ATOM     98  HB2 TRP A   7       2.769   8.319   2.127  1.00 61.10           H  
ATOM     99  HB3 TRP A   7       4.283   9.204   1.956  1.00 35.15           H  
ATOM    100  HD1 TRP A   7       4.465  11.540   3.417  1.00  2.42           H  
ATOM    101  HE1 TRP A   7       3.451  12.114   5.712  1.00 34.01           H  
ATOM    102  HE3 TRP A   7       0.845   7.937   3.628  1.00 71.24           H  
ATOM    103  HZ2 TRP A   7       1.389  11.164   7.390  1.00 51.12           H  
ATOM    104  HZ3 TRP A   7      -0.606   7.837   5.612  1.00  0.34           H  
ATOM    105  HH2 TRP A   7      -0.338   9.418   7.454  1.00 43.04           H  
ATOM    106  N   CYS A   8       2.736   9.668  -1.496  1.00 53.24           N  
ATOM    107  CA  CYS A   8       3.377   9.368  -2.771  1.00 22.14           C  
ATOM    108  C   CYS A   8       2.648  10.055  -3.922  1.00 22.31           C  
ATOM    109  O   CYS A   8       1.858   9.430  -4.630  1.00 22.23           O  
ATOM    110  CB  CYS A   8       3.412   7.856  -3.004  1.00 42.21           C  
ATOM    111  SG  CYS A   8       4.670   6.981  -2.019  1.00 34.41           S  
ATOM    112  H   CYS A   8       1.766   9.818  -1.473  1.00 65.41           H  
ATOM    113  HA  CYS A   8       4.389   9.740  -2.729  1.00  4.34           H  
ATOM    114  HB2 CYS A   8       2.448   7.438  -2.751  1.00 45.44           H  
ATOM    115  HB3 CYS A   8       3.619   7.665  -4.047  1.00  1.42           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   GLY A   1       1.080  -0.641  -0.610  1.00 45.24           N  
ATOM      2  CA  GLY A   1       2.358   0.045  -0.549  1.00 30.13           C  
ATOM      3  C   GLY A   1       2.385   1.297  -1.402  1.00 45.41           C  
ATOM      4  O   GLY A   1       1.375   1.988  -1.537  1.00  2.54           O  
ATOM      5  H1  GLY A   1       0.474  -0.477  -1.363  1.00  2.52           H  
ATOM      6  HA2 GLY A   1       2.560   0.316   0.477  1.00 55.01           H  
ATOM      7  HA3 GLY A   1       3.131  -0.627  -0.891  1.00 61.05           H  
ATOM      8  N   CYS A   2       3.545   1.593  -1.979  1.00 63.35           N  
ATOM      9  CA  CYS A   2       3.702   2.772  -2.823  1.00 21.53           C  
ATOM     10  C   CYS A   2       4.248   2.390  -4.196  1.00 34.43           C  
ATOM     11  O   CYS A   2       4.875   1.345  -4.373  1.00 41.35           O  
ATOM     12  CB  CYS A   2       4.636   3.782  -2.154  1.00 11.21           C  
ATOM     13  SG  CYS A   2       3.773   5.141  -1.302  1.00 12.34           S  
ATOM     14  H   CYS A   2       4.316   1.003  -1.835  1.00 33.03           H  
ATOM     15  HA  CYS A   2       2.729   3.222  -2.948  1.00 62.21           H  
ATOM     16  HB2 CYS A   2       5.243   3.270  -1.422  1.00 23.21           H  
ATOM     17  HB3 CYS A   2       5.278   4.219  -2.904  1.00 50.03           H  
ATOM     18  N   PRO A   3       4.004   3.255  -5.191  1.00 13.21           N  
ATOM     19  CA  PRO A   3       3.257   4.501  -4.991  1.00 45.03           C  
ATOM     20  C   PRO A   3       1.750   4.274  -4.953  1.00  1.01           C  
ATOM     21  O   PRO A   3       1.292   3.204  -5.351  1.00 25.12           O  
ATOM     22  CB  PRO A   3       3.640   5.343  -6.211  1.00  5.23           C  
ATOM     23  CG  PRO A   3       5.092   5.075  -6.415  1.00 54.35           C  
ATOM     24  CD  PRO A   3       4.437   3.084  -6.588  1.00  3.13           C  
ATOM     25  HA  PRO A   3       3.567   5.009  -4.089  1.00 70.24           H  
ATOM     26  HB2 PRO A   3       3.056   5.031  -7.065  1.00 11.22           H  
ATOM     27  HB3 PRO A   3       3.457   6.387  -6.004  1.00 23.20           H  
ATOM     28  HG2 PRO A   3       5.219   4.179  -7.004  1.00 45.03           H  
ATOM     29  HG3 PRO A   3       5.584   4.972  -5.461  1.00 22.03           H  
ATOM     30  HD2 PRO A   3       3.587   2.979  -7.245  1.00 42.23           H  
ATOM     31  HD3 PRO A   3       5.098   2.235  -6.684  1.00 44.42           H  
HETATM   32  N   DTR A   4       1.019   5.273  -4.481  1.00  5.42           N  
HETATM   33  CA  DTR A   4      -0.427   5.169  -4.398  1.00 74.22           C  
HETATM   34  CB  DTR A   4      -1.084   5.590  -5.715  1.00 23.25           C  
HETATM   35  CG  DTR A   4      -0.472   6.844  -6.342  1.00 65.20           C  
HETATM   36  CD1 DTR A   4      -0.577   8.112  -5.922  1.00 62.11           C  
HETATM   37  NE1 DTR A   4       0.114   8.977  -6.746  1.00 62.43           N  
HETATM   38  CE2 DTR A   4       0.696   8.215  -7.753  1.00 53.35           C  
HETATM   39  CZ2 DTR A   4       1.493   8.625  -8.829  1.00 22.32           C  
HETATM   40  CH2 DTR A   4       1.940   7.617  -9.692  1.00 30.34           C  
HETATM   41  CZ3 DTR A   4       1.583   6.295  -9.450  1.00  2.20           C  
HETATM   42  CE3 DTR A   4       0.787   5.870  -8.380  1.00 71.40           C  
HETATM   43  CD2 DTR A   4       0.350   6.899  -7.527  1.00 61.43           C  
HETATM   44  C   DTR A   4      -0.894   6.003  -3.204  1.00 13.22           C  
HETATM   45  O   DTR A   4      -1.715   6.913  -3.324  1.00 71.13           O  
HETATM   46  H   DTR A   4       1.400   6.141  -4.159  1.00 75.31           H  
HETATM   47  HA  DTR A   4      -0.677   4.120  -4.240  1.00 71.43           H  
HETATM   48  HB2 DTR A   4      -2.145   5.765  -5.540  1.00 33.32           H  
HETATM   49  HB3 DTR A   4      -1.009   4.767  -6.425  1.00 71.24           H  
HETATM   50  HD1 DTR A   4      -1.138   8.422  -5.040  1.00 65.52           H  
HETATM   51  HE1 DTR A   4       0.190  10.058  -6.629  1.00 71.41           H  
HETATM   52  HZ2 DTR A   4       1.752   9.672  -8.986  1.00 23.32           H  
HETATM   53  HH2 DTR A   4       2.565   7.867 -10.549  1.00 12.11           H  
HETATM   54  HZ3 DTR A   4       1.949   5.537 -10.142  1.00 70.13           H  
HETATM   55  HE3 DTR A   4       0.528   4.823  -8.223  1.00 32.41           H  
ATOM     56  N   ASP A   5      -0.349   5.671  -2.039  1.00 61.31           N  
ATOM     57  CA  ASP A   5      -0.690   6.372  -0.807  1.00 10.21           C  
ATOM     58  C   ASP A   5      -0.532   7.880  -0.978  1.00 63.23           C  
ATOM     59  O   ASP A   5       0.162   8.358  -1.876  1.00 61.32           O  
ATOM     60  CB  ASP A   5       0.189   5.882   0.344  1.00  4.14           C  
ATOM     61  CG  ASP A   5      -0.454   4.752   1.124  1.00 41.11           C  
ATOM     62  OD1 ASP A   5      -0.935   3.791   0.488  1.00 65.51           O  
ATOM     63  OD2 ASP A   5      -0.476   4.829   2.370  1.00 60.21           O  
ATOM     64  H   ASP A   5       0.300   4.936  -2.007  1.00 55.13           H  
ATOM     65  HA  ASP A   5      -1.722   6.155  -0.577  1.00 11.43           H  
ATOM     66  HB2 ASP A   5       1.130   5.530  -0.054  1.00 72.31           H  
ATOM     67  HB3 ASP A   5       0.375   6.703   1.021  1.00 21.15           H  
ATOM     68  N   PRO A   6      -1.190   8.648  -0.098  1.00 55.22           N  
ATOM     69  CA  PRO A   6      -1.139  10.113  -0.132  1.00 21.22           C  
ATOM     70  C   PRO A   6       0.290  10.643  -0.095  1.00 42.55           C  
ATOM     71  O   PRO A   6       0.550  11.781  -0.487  1.00 13.40           O  
ATOM     72  CB  PRO A   6      -1.894  10.524   1.135  1.00 72.54           C  
ATOM     73  CG  PRO A   6      -1.992   9.274   1.940  1.00 64.23           C  
ATOM     74  CD  PRO A   6      -2.036   8.146   0.998  1.00 50.30           C  
ATOM     75  HA  PRO A   6      -1.646  10.508  -1.000  1.00 33.22           H  
ATOM     76  HB2 PRO A   6      -1.337  11.289   1.657  1.00 70.42           H  
ATOM     77  HB3 PRO A   6      -2.871  10.899   0.870  1.00 40.34           H  
ATOM     78  HG2 PRO A   6      -1.270   9.297   2.742  1.00 30.30           H  
ATOM     79  HG3 PRO A   6      -2.991   9.169   2.335  1.00 52.21           H  
ATOM     80  HD2 PRO A   6      -1.522   7.382   1.562  1.00 14.35           H  
ATOM     81  HD3 PRO A   6      -2.975   7.771   0.619  1.00 70.23           H  
ATOM     82  N   TRP A   7       1.213   9.813   0.376  1.00 33.31           N  
ATOM     83  CA  TRP A   7       2.616  10.199   0.463  1.00 45.33           C  
ATOM     84  C   TRP A   7       3.383   9.749  -0.776  1.00 74.02           C  
ATOM     85  O   TRP A   7       4.605   9.601  -0.743  1.00 35.41           O  
ATOM     86  CB  TRP A   7       3.255   9.601   1.718  1.00 52.44           C  
ATOM     87  CG  TRP A   7       2.808  10.265   2.985  1.00 31.10           C  
ATOM     88  CD1 TRP A   7       3.136  11.520   3.413  1.00 31.40           C  
ATOM     89  CD2 TRP A   7       1.953   9.707   3.989  1.00 41.00           C  
ATOM     90  NE1 TRP A   7       2.536  11.775   4.623  1.00 44.43           N  
ATOM     91  CE2 TRP A   7       1.805  10.680   4.997  1.00 33.41           C  
ATOM     92  CE3 TRP A   7       1.297   8.482   4.134  1.00 60.34           C  
ATOM     93  CZ2 TRP A   7       1.029  10.462   6.132  1.00 15.14           C  
ATOM     94  CZ3 TRP A   7       0.527   8.267   5.261  1.00  4.21           C  
ATOM     95  CH2 TRP A   7       0.398   9.253   6.248  1.00 14.31           C  
ATOM     96  H   TRP A   7       0.944   8.918   0.673  1.00 21.12           H  
ATOM     97  HA  TRP A   7       2.659  11.277   0.526  1.00 23.45           H  
ATOM     98  HB2 TRP A   7       2.998   8.555   1.781  1.00 70.31           H  
ATOM     99  HB3 TRP A   7       4.328   9.701   1.649  1.00 44.54           H  
ATOM    100  HD1 TRP A   7       3.775  12.199   2.871  1.00 43.13           H  
ATOM    101  HE1 TRP A   7       2.618  12.608   5.133  1.00  5.42           H  
ATOM    102  HE3 TRP A   7       1.385   7.709   3.384  1.00 53.43           H  
ATOM    103  HZ2 TRP A   7       0.918  11.212   6.902  1.00 41.43           H  
ATOM    104  HZ3 TRP A   7       0.013   7.326   5.390  1.00  2.13           H  
ATOM    105  HH2 TRP A   7      -0.214   9.042   7.112  1.00 45.30           H  
ATOM    106  N   CYS A   8       2.658   9.533  -1.869  1.00 32.02           N  
ATOM    107  CA  CYS A   8       3.269   9.099  -3.119  1.00 41.32           C  
ATOM    108  C   CYS A   8       2.491   9.632  -4.319  1.00 10.43           C  
ATOM    109  O   CYS A   8       2.665  10.783  -4.722  1.00 34.33           O  
ATOM    110  CB  CYS A   8       3.333   7.572  -3.177  1.00 21.31           C  
ATOM    111  SG  CYS A   8       4.656   6.844  -2.158  1.00 31.13           S  
ATOM    112  H   CYS A   8       1.687   9.668  -1.833  1.00 51.44           H  
ATOM    113  HA  CYS A   8       4.273   9.494  -3.153  1.00 11.45           H  
ATOM    114  HB2 CYS A   8       2.393   7.166  -2.832  1.00 11.52           H  
ATOM    115  HB3 CYS A   8       3.498   7.264  -4.199  1.00 51.30           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   GLY A   1       2.102  -0.992  -1.805  1.00 33.31           N  
ATOM      2  CA  GLY A   1       1.942   0.198  -0.990  1.00 23.44           C  
ATOM      3  C   GLY A   1       2.045   1.474  -1.801  1.00 12.14           C  
ATOM      4  O   GLY A   1       1.034   2.108  -2.105  1.00 10.10           O  
ATOM      5  H1  GLY A   1       2.977  -1.429  -1.865  1.00 21.32           H  
ATOM      6  HA2 GLY A   1       0.976   0.165  -0.509  1.00 72.05           H  
ATOM      7  HA3 GLY A   1       2.710   0.205  -0.230  1.00 43.10           H  
ATOM      8  N   CYS A   2       3.269   1.854  -2.151  1.00  1.12           N  
ATOM      9  CA  CYS A   2       3.501   3.064  -2.930  1.00  2.55           C  
ATOM     10  C   CYS A   2       4.088   2.727  -4.297  1.00 53.13           C  
ATOM     11  O   CYS A   2       4.685   1.670  -4.501  1.00 32.12           O  
ATOM     12  CB  CYS A   2       4.442   4.007  -2.177  1.00 45.32           C  
ATOM     13  SG  CYS A   2       3.594   5.357  -1.295  1.00 24.30           S  
ATOM     14  H   CYS A   2       4.036   1.307  -1.878  1.00 62.24           H  
ATOM     15  HA  CYS A   2       2.551   3.556  -3.070  1.00 73.15           H  
ATOM     16  HB2 CYS A   2       5.001   3.439  -1.448  1.00  1.03           H  
ATOM     17  HB3 CYS A   2       5.130   4.454  -2.880  1.00 55.24           H  
ATOM     18  N   PRO A   3       3.915   3.647  -5.258  1.00 75.33           N  
ATOM     19  CA  PRO A   3       3.205   4.909  -5.028  1.00 31.51           C  
ATOM     20  C   PRO A   3       1.690   4.736  -5.058  1.00 62.32           C  
ATOM     21  O   PRO A   3       1.212   3.704  -5.527  1.00 14.02           O  
ATOM     22  CB  PRO A   3       3.666   5.792  -6.190  1.00 33.10           C  
ATOM     23  CG  PRO A   3       5.114   5.481  -6.351  1.00 74.45           C  
ATOM     24  CD  PRO A   3       4.398   3.525  -6.644  1.00 54.11           C  
ATOM     25  HA  PRO A   3       3.496   5.362  -4.092  1.00 33.15           H  
ATOM     26  HB2 PRO A   3       3.105   5.542  -7.080  1.00 22.22           H  
ATOM     27  HB3 PRO A   3       3.511   6.831  -5.941  1.00 30.25           H  
ATOM     28  HG2 PRO A   3       5.234   4.609  -6.978  1.00 34.24           H  
ATOM     29  HG3 PRO A   3       5.564   5.315  -5.385  1.00 34.54           H  
ATOM     30  HD2 PRO A   3       3.571   3.482  -7.338  1.00 44.01           H  
ATOM     31  HD3 PRO A   3       5.032   2.658  -6.756  1.00  1.23           H  
HETATM   32  N   DTR A   4       0.977   5.737  -4.564  1.00 52.14           N  
HETATM   33  CA  DTR A   4      -0.475   5.682  -4.542  1.00 60.01           C  
HETATM   34  CB  DTR A   4      -1.066   6.267  -5.826  1.00 44.04           C  
HETATM   35  CG  DTR A   4      -0.490   5.662  -7.108  1.00 71.33           C  
HETATM   36  CD1 DTR A   4      -0.826   4.506  -7.698  1.00 50.43           C  
HETATM   37  NE1 DTR A   4      -0.088   4.291  -8.844  1.00 73.44           N  
HETATM   38  CE2 DTR A   4       0.771   5.373  -8.996  1.00 32.13           C  
HETATM   39  CZ2 DTR A   4       1.717   5.623  -9.997  1.00 55.42           C  
HETATM   40  CH2 DTR A   4       2.444   6.814  -9.882  1.00 40.13           C  
HETATM   41  CZ3 DTR A   4       2.203   7.668  -8.813  1.00 12.24           C  
HETATM   42  CE3 DTR A   4       1.261   7.432  -7.804  1.00  4.34           C  
HETATM   43  CD2 DTR A   4       0.543   6.231  -7.940  1.00  0.34           C  
HETATM   44  C   DTR A   4      -0.956   6.402  -3.281  1.00 31.13           C  
HETATM   45  O   DTR A   4      -1.764   7.329  -3.327  1.00 14.41           O  
HETATM   46  H   DTR A   4       1.374   6.573  -4.185  1.00 71.21           H  
HETATM   47  HA  DTR A   4      -0.768   4.633  -4.507  1.00 71.31           H  
HETATM   48  HB2 DTR A   4      -0.893   7.343  -5.836  1.00 15.40           H  
HETATM   49  HB3 DTR A   4      -2.145   6.117  -5.819  1.00 13.11           H  
HETATM   50  HD1 DTR A   4      -1.587   3.823  -7.320  1.00 45.15           H  
HETATM   51  HE1 DTR A   4      -0.165   3.430  -9.509  1.00 20.23           H  
HETATM   52  HZ2 DTR A   4       1.878   4.929 -10.822  1.00 13.13           H  
HETATM   53  HH2 DTR A   4       3.196   7.070 -10.628  1.00 42.15           H  
HETATM   54  HZ3 DTR A   4       2.788   8.586  -8.755  1.00 52.12           H  
HETATM   55  HE3 DTR A   4       1.100   8.127  -6.979  1.00 61.40           H  
ATOM     56  N   ASP A   5      -0.437   5.951  -2.144  1.00 71.32           N  
ATOM     57  CA  ASP A   5      -0.795   6.533  -0.856  1.00  3.20           C  
ATOM     58  C   ASP A   5      -0.618   8.048  -0.877  1.00 11.31           C  
ATOM     59  O   ASP A   5       0.098   8.603  -1.711  1.00 73.00           O  
ATOM     60  CB  ASP A   5       0.058   5.923   0.258  1.00 53.21           C  
ATOM     61  CG  ASP A   5      -0.656   4.799   0.983  1.00  5.11           C  
ATOM     62  OD1 ASP A   5      -1.601   4.225   0.404  1.00 74.22           O  
ATOM     63  OD2 ASP A   5      -0.267   4.493   2.130  1.00 54.03           O  
ATOM     64  H   ASP A   5       0.203   5.208  -2.172  1.00 55.33           H  
ATOM     65  HA  ASP A   5      -1.833   6.307  -0.667  1.00 11.24           H  
ATOM     66  HB2 ASP A   5       0.969   5.530  -0.169  1.00 72.23           H  
ATOM     67  HB3 ASP A   5       0.304   6.692   0.976  1.00 60.24           H  
ATOM     68  N   PRO A   6      -1.286   8.735   0.062  1.00 52.34           N  
ATOM     69  CA  PRO A   6      -1.219  10.196   0.172  1.00 74.54           C  
ATOM     70  C   PRO A   6       0.214  10.703   0.286  1.00 12.32           C  
ATOM     71  O   PRO A   6       0.492  11.871   0.013  1.00 62.35           O  
ATOM     72  CB  PRO A   6      -1.996  10.490   1.458  1.00 44.24           C  
ATOM     73  CG  PRO A   6      -2.267   9.151   2.052  1.00 42.24           C  
ATOM     74  CD  PRO A   6      -2.158   8.139   1.088  1.00  1.30           C  
ATOM     75  HA  PRO A   6      -1.706  10.679  -0.663  1.00 63.11           H  
ATOM     76  HB2 PRO A   6      -1.391  11.100   2.114  1.00 22.44           H  
ATOM     77  HB3 PRO A   6      -2.912  11.009   1.219  1.00 62.24           H  
ATOM     78  HG2 PRO A   6      -1.510   8.914   2.783  1.00 23.13           H  
ATOM     79  HG3 PRO A   6      -3.246   9.144   2.507  1.00 72.31           H  
ATOM     80  HD2 PRO A   6      -1.663   7.317   1.584  1.00 54.31           H  
ATOM     81  HD3 PRO A   6      -3.093   7.815   0.657  1.00 75.30           H  
ATOM     82  N   TRP A   7       1.119   9.820   0.692  1.00 74.24           N  
ATOM     83  CA  TRP A   7       2.524  10.179   0.842  1.00 41.53           C  
ATOM     84  C   TRP A   7       3.310   9.843  -0.421  1.00 20.03           C  
ATOM     85  O   TRP A   7       4.530   9.677  -0.379  1.00 55.32           O  
ATOM     86  CB  TRP A   7       3.132   9.455   2.044  1.00 73.21           C  
ATOM     87  CG  TRP A   7       2.960  10.197   3.334  1.00 14.43           C  
ATOM     88  CD1 TRP A   7       3.538  11.385   3.680  1.00 42.22           C  
ATOM     89  CD2 TRP A   7       2.156   9.800   4.451  1.00  3.40           C  
ATOM     90  NE1 TRP A   7       3.143  11.750   4.944  1.00  1.52           N  
ATOM     91  CE2 TRP A   7       2.295  10.795   5.438  1.00 14.54           C  
ATOM     92  CE3 TRP A   7       1.332   8.702   4.712  1.00  3.52           C  
ATOM     93  CZ2 TRP A   7       1.640  10.722   6.665  1.00  2.42           C  
ATOM     94  CZ3 TRP A   7       0.684   8.631   5.930  1.00 13.34           C  
ATOM     95  CH2 TRP A   7       0.840   9.636   6.894  1.00 12.42           C  
ATOM     96  H   TRP A   7       0.835   8.904   0.895  1.00 63.51           H  
ATOM     97  HA  TRP A   7       2.576  11.245   1.011  1.00 24.11           H  
ATOM     98  HB2 TRP A   7       2.661   8.489   2.150  1.00 71.01           H  
ATOM     99  HB3 TRP A   7       4.190   9.319   1.875  1.00 22.33           H  
ATOM    100  HD1 TRP A   7       4.208  11.943   3.043  1.00 13.22           H  
ATOM    101  HE1 TRP A   7       3.423  12.564   5.414  1.00 14.15           H  
ATOM    102  HE3 TRP A   7       1.199   7.918   3.982  1.00 22.21           H  
ATOM    103  HZ2 TRP A   7       1.750  11.489   7.418  1.00 12.31           H  
ATOM    104  HZ3 TRP A   7       0.043   7.790   6.150  1.00 20.13           H  
ATOM    105  HH2 TRP A   7       0.314   9.539   7.832  1.00 44.34           H  
ATOM    106  N   CYS A   8       2.605   9.743  -1.543  1.00 12.44           N  
ATOM    107  CA  CYS A   8       3.236   9.426  -2.818  1.00  4.33           C  
ATOM    108  C   CYS A   8       2.490  10.087  -3.973  1.00 44.33           C  
ATOM    109  O   CYS A   8       3.058  10.895  -4.710  1.00 35.43           O  
ATOM    110  CB  CYS A   8       3.282   7.911  -3.026  1.00 15.24           C  
ATOM    111  SG  CYS A   8       4.561   7.064  -2.044  1.00 62.02           S  
ATOM    112  H   CYS A   8       1.635   9.886  -1.512  1.00 51.43           H  
ATOM    113  HA  CYS A   8       4.246   9.808  -2.792  1.00 72.42           H  
ATOM    114  HB2 CYS A   8       2.325   7.489  -2.751  1.00 45.43           H  
ATOM    115  HB3 CYS A   8       3.475   7.704  -4.068  1.00 12.13           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   GLY A   1       2.097  -0.353  -0.526  1.00 24.43           N  
ATOM      2  CA  GLY A   1       2.342  -0.335  -1.956  1.00 70.21           C  
ATOM      3  C   GLY A   1       2.358   1.070  -2.524  1.00 12.23           C  
ATOM      4  O   GLY A   1       1.305   1.661  -2.768  1.00 44.11           O  
ATOM      5  H1  GLY A   1       2.743   0.061   0.085  1.00 34.31           H  
ATOM      6  HA2 GLY A   1       3.295  -0.803  -2.153  1.00 40.23           H  
ATOM      7  HA3 GLY A   1       1.566  -0.901  -2.450  1.00 34.34           H  
ATOM      8  N   CYS A   2       3.554   1.609  -2.733  1.00 65.30           N  
ATOM      9  CA  CYS A   2       3.704   2.954  -3.273  1.00 42.43           C  
ATOM     10  C   CYS A   2       4.320   2.915  -4.669  1.00 24.12           C  
ATOM     11  O   CYS A   2       4.991   1.956  -5.051  1.00 42.14           O  
ATOM     12  CB  CYS A   2       4.572   3.806  -2.344  1.00 61.25           C  
ATOM     13  SG  CYS A   2       3.625   4.907  -1.244  1.00 65.14           S  
ATOM     14  H   CYS A   2       4.358   1.088  -2.518  1.00 74.05           H  
ATOM     15  HA  CYS A   2       2.722   3.397  -3.339  1.00 71.24           H  
ATOM     16  HB2 CYS A   2       5.167   3.153  -1.722  1.00  0.30           H  
ATOM     17  HB3 CYS A   2       5.228   4.422  -2.942  1.00 22.44           H  
ATOM     18  N   PRO A   3       4.088   3.982  -5.448  1.00 65.42           N  
ATOM     19  CA  PRO A   3       3.291   5.128  -5.004  1.00 11.43           C  
ATOM     20  C   PRO A   3       1.792   4.861  -5.092  1.00 42.51           C  
ATOM     21  O   PRO A   3       1.394   3.848  -5.664  1.00 24.54           O  
ATOM     22  CB  PRO A   3       3.694   6.239  -5.976  1.00 45.44           C  
ATOM     23  CG  PRO A   3       5.162   6.063  -6.166  1.00 35.42           C  
ATOM     24  CD  PRO A   3       4.586   4.150  -6.824  1.00 25.13           C  
ATOM     25  HA  PRO A   3       3.544   5.421  -3.995  1.00 65.03           H  
ATOM     26  HB2 PRO A   3       3.158   6.119  -6.907  1.00 13.00           H  
ATOM     27  HB3 PRO A   3       3.466   7.202  -5.544  1.00 74.13           H  
ATOM     28  HG2 PRO A   3       5.346   5.331  -6.939  1.00 31.15           H  
ATOM     29  HG3 PRO A   3       5.617   5.753  -5.238  1.00 30.13           H  
ATOM     30  HD2 PRO A   3       3.769   4.179  -7.529  1.00 62.40           H  
ATOM     31  HD3 PRO A   3       5.281   3.364  -7.080  1.00 63.23           H  
HETATM   32  N   DTR A   4       1.003   5.766  -4.532  1.00 35.12           N  
HETATM   33  CA  DTR A   4      -0.442   5.615  -4.556  1.00 14.24           C  
HETATM   34  CB  DTR A   4      -1.031   6.179  -5.850  1.00 53.40           C  
HETATM   35  CG  DTR A   4      -0.447   5.560  -7.121  1.00 42.43           C  
HETATM   36  CD1 DTR A   4      -0.689   4.347  -7.635  1.00 34.31           C  
HETATM   37  NE1 DTR A   4       0.023   4.138  -8.798  1.00 42.11           N  
HETATM   38  CE2 DTR A   4       0.766   5.287  -9.042  1.00 51.43           C  
HETATM   39  CZ2 DTR A   4       1.645   5.570 -10.095  1.00  1.35           C  
HETATM   40  CH2 DTR A   4       2.256   6.830 -10.073  1.00 62.34           C  
HETATM   41  CZ3 DTR A   4       1.972   7.716  -9.041  1.00 30.00           C  
HETATM   42  CE3 DTR A   4       1.096   7.448  -7.982  1.00 40.42           C  
HETATM   43  CD2 DTR A   4       0.494   6.178  -8.024  1.00 43.43           C  
HETATM   44  C   DTR A   4      -1.008   6.283  -3.301  1.00 11.14           C  
HETATM   45  O   DTR A   4      -1.775   7.244  -3.362  1.00 75.23           O  
HETATM   46  H   DTR A   4       1.334   6.588  -4.069  1.00 22.11           H  
HETATM   47  HA  DTR A   4      -0.666   4.549  -4.543  1.00 75.44           H  
HETATM   48  HB2 DTR A   4      -0.866   7.257  -5.873  1.00 64.54           H  
HETATM   49  HB3 DTR A   4      -2.110   6.023  -5.845  1.00 31.11           H  
HETATM   50  HD1 DTR A   4      -1.365   3.616  -7.190  1.00  1.21           H  
HETATM   51  HE1 DTR A   4       0.007   3.238  -9.412  1.00 72.32           H  
HETATM   52  HZ2 DTR A   4       1.843   4.849 -10.887  1.00 40.13           H  
HETATM   53  HH2 DTR A   4       2.952   7.114 -10.863  1.00 53.00           H  
HETATM   54  HZ3 DTR A   4       2.466   8.687  -9.057  1.00 10.52           H  
HETATM   55  HE3 DTR A   4       0.898   8.170  -7.189  1.00 70.33           H  
ATOM     56  N   ASP A   5      -0.609   5.749  -2.152  1.00 20.32           N  
ATOM     57  CA  ASP A   5      -1.059   6.273  -0.868  1.00 20.15           C  
ATOM     58  C   ASP A   5      -0.822   7.777  -0.782  1.00  0.45           C  
ATOM     59  O   ASP A   5      -0.008   8.345  -1.511  1.00 13.15           O  
ATOM     60  CB  ASP A   5      -0.336   5.564   0.279  1.00 63.25           C  
ATOM     61  CG  ASP A   5      -1.066   4.318   0.741  1.00 65.01           C  
ATOM     62  OD1 ASP A   5      -2.313   4.305   0.684  1.00 12.43           O  
ATOM     63  OD2 ASP A   5      -0.389   3.355   1.159  1.00 40.24           O  
ATOM     64  H   ASP A   5       0.004   4.984  -2.168  1.00 33.41           H  
ATOM     65  HA  ASP A   5      -2.118   6.083  -0.785  1.00 33.24           H  
ATOM     66  HB2 ASP A   5       0.653   5.278  -0.050  1.00 71.23           H  
ATOM     67  HB3 ASP A   5      -0.250   6.241   1.115  1.00 14.14           H  
ATOM     68  N   PRO A   6      -1.550   8.440   0.130  1.00 43.35           N  
ATOM     69  CA  PRO A   6      -1.437   9.888   0.332  1.00 23.31           C  
ATOM     70  C   PRO A   6      -0.004  10.322   0.623  1.00 14.23           C  
ATOM     71  O   PRO A   6       0.346  11.491   0.457  1.00 74.43           O  
ATOM     72  CB  PRO A   6      -2.331  10.147   1.547  1.00 75.23           C  
ATOM     73  CG  PRO A   6      -2.480   8.816   2.199  1.00 63.31           C  
ATOM     74  CD  PRO A   6      -2.539   7.828   1.033  1.00 65.35           C  
ATOM     75  HA  PRO A   6      -1.813  10.438  -0.518  1.00 63.21           H  
ATOM     76  HB2 PRO A   6      -1.853  10.859   2.204  1.00 23.23           H  
ATOM     77  HB3 PRO A   6      -3.285  10.534   1.220  1.00  3.50           H  
ATOM     78  HG2 PRO A   6      -1.870   8.772   3.088  1.00  2.42           H  
ATOM     79  HG3 PRO A   6      -3.517   8.641   2.445  1.00 41.24           H  
ATOM     80  HD2 PRO A   6      -2.132   6.948   1.509  1.00 34.04           H  
ATOM     81  HD3 PRO A   6      -3.447   7.586   0.501  1.00 70.41           H  
ATOM     82  N   TRP A   7       0.819   9.375   1.058  1.00 41.41           N  
ATOM     83  CA  TRP A   7       2.215   9.661   1.372  1.00 55.32           C  
ATOM     84  C   TRP A   7       3.113   9.366   0.176  1.00 21.51           C  
ATOM     85  O   TRP A   7       4.313   9.137   0.330  1.00 21.32           O  
ATOM     86  CB  TRP A   7       2.666   8.839   2.580  1.00 14.32           C  
ATOM     87  CG  TRP A   7       3.094   9.680   3.744  1.00  0.53           C  
ATOM     88  CD1 TRP A   7       4.294   9.630   4.394  1.00  1.04           C  
ATOM     89  CD2 TRP A   7       2.324  10.696   4.397  1.00 23.01           C  
ATOM     90  NE1 TRP A   7       4.317  10.553   5.412  1.00 14.10           N  
ATOM     91  CE2 TRP A   7       3.121  11.220   5.434  1.00 14.40           C  
ATOM     92  CE3 TRP A   7       1.041  11.215   4.205  1.00 20.24           C  
ATOM     93  CZ2 TRP A   7       2.673  12.236   6.275  1.00 42.03           C  
ATOM     94  CZ3 TRP A   7       0.598  12.223   5.041  1.00 63.42           C  
ATOM     95  CH2 TRP A   7       1.413  12.725   6.064  1.00 14.25           C  
ATOM     96  H   TRP A   7       0.481   8.462   1.171  1.00 42.03           H  
ATOM     97  HA  TRP A   7       2.290  10.711   1.613  1.00  5.34           H  
ATOM     98  HB2 TRP A   7       1.850   8.211   2.905  1.00 10.03           H  
ATOM     99  HB3 TRP A   7       3.501   8.218   2.292  1.00 61.24           H  
ATOM    100  HD1 TRP A   7       5.097   8.957   4.137  1.00 62.24           H  
ATOM    101  HE1 TRP A   7       5.068  10.709   6.022  1.00 64.03           H  
ATOM    102  HE3 TRP A   7       0.399  10.841   3.422  1.00 74.41           H  
ATOM    103  HZ2 TRP A   7       3.289  12.634   7.068  1.00 40.52           H  
ATOM    104  HZ3 TRP A   7      -0.391  12.636   4.908  1.00 21.41           H  
ATOM    105  HH2 TRP A   7       1.026  13.512   6.693  1.00 13.20           H  
ATOM    106  N   CYS A   8       2.526   9.372  -1.016  1.00 33.21           N  
ATOM    107  CA  CYS A   8       3.273   9.104  -2.239  1.00 21.14           C  
ATOM    108  C   CYS A   8       2.696   9.890  -3.412  1.00 41.41           C  
ATOM    109  O   CYS A   8       3.436  10.410  -4.247  1.00 45.22           O  
ATOM    110  CB  CYS A   8       3.254   7.607  -2.555  1.00 42.21           C  
ATOM    111  SG  CYS A   8       4.297   6.601  -1.451  1.00 72.43           S  
ATOM    112  H   CYS A   8       1.565   9.561  -1.075  1.00  0.11           H  
ATOM    113  HA  CYS A   8       4.294   9.416  -2.079  1.00 52.40           H  
ATOM    114  HB2 CYS A   8       2.241   7.242  -2.472  1.00 12.24           H  
ATOM    115  HB3 CYS A   8       3.603   7.456  -3.566  1.00  3.31           H  
TER     116      CYS A   8                                                      
ENDMDL                                                                          
CONECT   13  111                                                                
CONECT   20   32                                                                
CONECT   32   20   33   46                                                      
CONECT   33   32   34   44   47                                                 
CONECT   34   33   35   48   49                                                 
CONECT   35   34   36   43                                                      
CONECT   36   35   37   50                                                      
CONECT   37   36   38   51                                                      
CONECT   38   37   39   43                                                      
CONECT   39   38   40   52                                                      
CONECT   40   39   41   53                                                      
CONECT   41   40   42   54                                                      
CONECT   42   41   43   55                                                      
CONECT   43   35   38   42                                                      
CONECT   44   33   45   56                                                      
CONECT   45   44                                                                
CONECT   46   32                                                                
CONECT   47   33                                                                
CONECT   48   34                                                                
CONECT   49   34                                                                
CONECT   50   36                                                                
CONECT   51   37                                                                
CONECT   52   39                                                                
CONECT   53   40                                                                
CONECT   54   41                                                                
CONECT   55   42                                                                
CONECT   56   44                                                                
CONECT  111   13                                                                
MASTER      161    0    1    0    0    0    1    6   66    1   28    1          
END