HEADER    ANTIBIOTIC                              09-MAR-19   6QYU              
TITLE     SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND   
TITLE    2 RING B - MUTACIN I RING A                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA;                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS;                             
SOURCE   4 ORGANISM_TAXID: 1358                                                 
KEYWDS    PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN,          
KEYWDS   2 THIOESTER, ANTIBIOTIC                                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR              
REVDAT   3   14-JUN-23 6QYU    1       LINK                                     
REVDAT   2   02-OCT-19 6QYU    1       JRNL                                     
REVDAT   1   11-SEP-19 6QYU    0                                                
JRNL        AUTH   R.DICKMAN,S.A.MITCHELL,A.M.FIGUEIREDO,D.F.HANSEN,A.B.TABOR   
JRNL        TITL   MOLECULAR RECOGNITION OF LIPID II BY LANTIBIOTICS: SYNTHESIS 
JRNL        TITL 2 AND CONFORMATIONAL STUDIES OF ANALOGUES OF NISIN AND MUTACIN 
JRNL        TITL 3 RINGS A AND B.                                               
JRNL        REF    J.ORG.CHEM.                   V.  84 11493 2019              
JRNL        REFN                   ISSN 0022-3263                               
JRNL        PMID   31464129                                                     
JRNL        DOI    10.1021/ACS.JOC.9B01253                                      
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   R.DICKMAN,E.DANELIUS,S.A.MITCHELL,D.F.HANSEN,M.ERDELYI,      
REMARK   1  AUTH 2 A.B.TABOR                                                    
REMARK   1  TITL   A CHEMICAL BIOLOGY APPROACH TO UNDERSTANDING MOLECULAR       
REMARK   1  TITL 2 RECOGNITION OF LIPID II BY NISIN: SOLID-PHASE SYNTHESIS AND  
REMARK   1  TITL 3 NMR ENSEMBLE ANALYSIS OF NISIN(1-12) AND A SYNTHETIC         
REMARK   1  TITL 4 ANA-LOGUE.                                                   
REMARK   1  REF    TO BE PUBLISHED                                              
REMARK   1  REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XPLOR-NIH 2.45                                       
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6QYU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 10-MAR-19.                  
REMARK 100 THE DEPOSITION ID IS D_1292101157.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5.0                                
REMARK 210  IONIC STRENGTH                 : TFA SALT                           
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 5.0 MG/ML MUTACIN I RING A, DMSO   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H COSY; 2D 1H-1H NOESY;     
REMARK 210                                   2D 1H-13C HSQC; 2D 1H-13C HMBC     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XPLOR-NIH 2.45, CCPNMR ANALYSIS    
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 250                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2                             
REMARK 350 SURFACE AREA OF THE COMPLEX: 880 ANGSTROM**2                         
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 DAL A   3       16.03    -82.08                                   
REMARK 500  1 LEU A   6      -48.12    137.53                                   
REMARK 500  1 CYS A   7      -12.04    -41.24                                   
REMARK 500  2 DAL A   3       16.45    -68.81                                   
REMARK 500  2 LEU A   6      -50.51    141.68                                   
REMARK 500  2 CYS A   7      -24.07    -37.68                                   
REMARK 500  3 DAL A   3       15.32    -77.26                                   
REMARK 500  3 LEU A   6      -50.00    142.11                                   
REMARK 500  4 DAL A   3       17.21    -68.24                                   
REMARK 500  4 LEU A   6      -47.62    140.00                                   
REMARK 500  4 CYS A   7       -8.11    -42.00                                   
REMARK 500  5 DAL A   3       17.37    -75.22                                   
REMARK 500  5 LEU A   6      -43.86    137.46                                   
REMARK 500  5 CYS A   7        5.62    -47.21                                   
REMARK 500  6 DAL A   3       16.98    -65.19                                   
REMARK 500  6 LEU A   6      -50.54    141.14                                   
REMARK 500  6 CYS A   7      -21.11    -35.56                                   
REMARK 500  7 DAL A   3       16.41    -81.96                                   
REMARK 500  7 LEU A   6      -49.33    139.57                                   
REMARK 500  8 DAL A   3       14.15    -73.54                                   
REMARK 500  8 LEU A   6      -52.38    144.13                                   
REMARK 500  8 CYS A   7      -37.46    -34.54                                   
REMARK 500  9 DAL A   3       17.46    -69.10                                   
REMARK 500  9 LEU A   6      -44.97    138.17                                   
REMARK 500  9 CYS A   7       -0.74    -44.42                                   
REMARK 500 10 DAL A   3       15.14    -79.45                                   
REMARK 500 10 LEU A   6      -50.68    141.23                                   
REMARK 500 11 DAL A   3       16.79    -75.60                                   
REMARK 500 11 LEU A   6      -47.18    138.12                                   
REMARK 500 11 CYS A   7       -8.21    -42.06                                   
REMARK 500 12 DAL A   3       18.21    -69.18                                   
REMARK 500 12 LEU A   6      -49.12    139.95                                   
REMARK 500 12 CYS A   7      -12.01    -39.72                                   
REMARK 500 13 DAL A   3       17.11    -70.43                                   
REMARK 500 13 LEU A   6      -47.03    136.15                                   
REMARK 500 13 CYS A   7      -36.46    -38.54                                   
REMARK 500 14 DAL A   3       17.25    -65.24                                   
REMARK 500 14 LEU A   6      -46.56    135.26                                   
REMARK 500 14 CYS A   7      -13.80    -39.75                                   
REMARK 500 15 DAL A   3       18.53    -62.92                                   
REMARK 500 15 LEU A   6      -44.60    138.36                                   
REMARK 500 15 CYS A   7        2.07    -45.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1WCO   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 6QTF   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC MUTACIN I RING B, MAJOR CONFORMER          
REMARK 900 RELATED ID: 6QYR   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC MUTACIN I RING B, MINOR CONFORMER          
REMARK 900 RELATED ID: 6QYS   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC NISIN RING B                               
REMARK 900 RELATED ID: 6QM1   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC NISIN RING B (LAN8,11) ANALOGUE            
REMARK 900 RELATED ID: 6QYT   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC MUTACIN I RING A TRUNCATED ANALOGUE        
REMARK 900 RELATED ID: 34372   RELATED DB: BMRB                                 
REMARK 900 SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND  
REMARK 900 RING B - MUTACIN I RING A                                            
DBREF  6QYU A    1     8  PDB    6QYU     6QYU             1      8             
SEQRES   1 A    8  PHE DHA DAL LEU DHA LEU CYS ALA                              
HET    DHA  A   2       8                                                       
HET    DAL  A   3       9                                                       
HET    DHA  A   5       8                                                       
HETNAM     DHA 2-AMINO-ACRYLIC ACID                                             
HETNAM     DAL D-ALANINE                                                        
HETSYN     DHA 2,3-DIDEHYDROALANINE                                             
FORMUL   1  DHA    2(C3 H5 N O2)                                                
FORMUL   1  DAL    C3 H7 N O2                                                   
LINK         C   PHE A   1                 N   DHA A   2     1555   1555  1.35  
LINK         C   DHA A   2                 N   DAL A   3     1555   1555  1.34  
LINK         C   DAL A   3                 N   LEU A   4     1555   1555  1.33  
LINK         CB  DAL A   3                 SG  CYS A   7     1555   1555  1.81  
LINK         C   LEU A   4                 N   DHA A   5     1555   1555  1.35  
LINK         C   DHA A   5                 N   LEU A   6     1555   1555  1.33  
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   PHE A   1       8.418   0.031   7.102  1.00  0.00           N1+
ATOM      2  CA  PHE A   1       9.262   1.254   7.221  1.00  0.00           C  
ATOM      3  C   PHE A   1       8.609   2.231   8.194  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.372   1.899   9.356  1.00  0.00           O  
ATOM      5  CB  PHE A   1       9.404   1.907   5.847  1.00  0.00           C  
ATOM      6  CG  PHE A   1      10.189   0.996   4.935  1.00  0.00           C  
ATOM      7  CD1 PHE A   1       9.519   0.114   4.080  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      11.588   1.036   4.944  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      10.248  -0.731   3.235  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      12.318   0.191   4.098  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      11.647  -0.692   3.243  1.00  0.00           C  
ATOM     12  H1  PHE A   1       7.726   0.010   7.877  1.00  0.00           H  
ATOM     13  H2  PHE A   1       9.024  -0.813   7.153  1.00  0.00           H  
ATOM     14  H3  PHE A   1       7.916   0.044   6.191  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.239   0.979   7.591  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       8.424   2.080   5.428  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       9.923   2.848   5.950  1.00  0.00           H  
ATOM     18  HD1 PHE A   1       8.439   0.084   4.074  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      12.104   1.717   5.603  1.00  0.00           H  
ATOM     20  HE1 PHE A   1       9.730  -1.412   2.575  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      13.397   0.222   4.105  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      12.210  -1.343   2.592  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.312   3.455   7.717  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.716   4.395   8.550  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.036   4.744   9.792  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.583   5.059   7.899  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.594   4.443   7.505  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.495   3.729   6.794  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.851   4.285  10.273  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.465   5.497  10.316  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.694   6.390   7.804  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.608   7.131   7.217  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.300   6.523   7.722  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.689   7.105   5.687  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.073   7.928   5.010  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.477   6.874   8.143  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.665   8.146   7.551  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.479   6.045   8.675  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.957   5.787   7.023  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.483   6.186   5.146  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.646   6.103   3.693  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.726   5.057   3.060  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.567   5.026   1.839  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.095   5.774   3.347  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.712   4.915   4.449  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       9.964   4.219   3.908  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       9.097   5.805   5.633  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.988   5.577   5.727  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.406   7.067   3.269  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.129   5.239   2.410  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.652   6.690   3.259  1.00  0.00           H  
ATOM     52  HG  LEU A   4       7.997   4.172   4.770  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.766   3.165   3.784  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.780   4.354   4.603  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      10.231   4.650   2.954  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       8.694   6.796   5.485  1.00  0.00           H  
ATOM     57 HD22 LEU A   4      10.173   5.862   5.708  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.695   5.387   6.544  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.108   4.189   3.880  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.260   3.220   3.344  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.347   2.567   2.215  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.118   2.973   4.194  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.097   2.056   4.995  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.217   4.201   4.849  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.156   2.745   1.591  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.596   1.840   1.939  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.111   3.815   3.976  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.866   3.711   4.727  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.402   5.099   5.127  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.753   5.477   4.938  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.051   2.864   5.988  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.206   3.424   6.844  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.621   4.140   8.063  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.148   2.304   7.326  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.193   4.508   3.284  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.125   3.255   4.098  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.139   2.894   6.564  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.259   1.852   5.698  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.769   4.130   6.260  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.136   3.419   8.705  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       0.897   4.874   7.736  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.412   4.634   8.608  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.254   2.360   8.396  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.120   2.434   6.866  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.753   1.339   7.052  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.342   5.844   5.666  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.116   7.203   6.102  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.251   7.961   5.105  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.238   9.052   5.393  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.482   7.852   6.219  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.046   7.816   7.932  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.236   5.466   5.766  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.635   7.200   7.062  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.165   7.280   5.614  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.446   8.872   5.867  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.068   7.369   3.934  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.742   7.981   2.895  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.788   8.914   3.500  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.406   8.523   4.476  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -1.435   6.886   2.095  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.954  10.003   2.977  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.482   6.499   3.766  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.103   8.547   2.235  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.760   6.512   1.341  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -2.318   7.288   1.625  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -1.714   6.082   2.761  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   PHE A   1      11.044   4.383   4.858  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.645   3.517   6.005  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.824   4.337   6.996  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.220   5.435   7.387  1.00  0.00           O  
ATOM      5  CB  PHE A   1      11.901   2.973   6.690  1.00  0.00           C  
ATOM      6  CG  PHE A   1      12.430   1.793   5.909  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      12.503   0.531   6.511  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      12.848   1.962   4.584  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      12.994  -0.563   5.787  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      13.340   0.869   3.860  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      13.412  -0.394   4.462  1.00  0.00           C  
ATOM     12  H1  PHE A   1      10.271   5.041   4.635  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.243   3.786   4.029  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.896   4.923   5.110  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.050   2.693   5.641  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      12.654   3.746   6.729  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.655   2.657   7.694  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      12.180   0.399   7.533  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      12.793   2.936   4.119  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      13.050  -1.537   6.250  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      13.662   0.998   2.838  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      13.791  -1.237   3.903  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.665   3.795   7.409  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.860   4.479   8.313  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.997   4.626   9.627  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.722   5.116   7.646  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.859   4.479   7.042  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.346   2.921   7.102  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.813   4.185  10.123  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.271   5.192  10.194  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.683   6.443   7.777  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.585   7.157   7.186  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.285   6.536   7.692  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.679   7.106   5.660  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.068   7.913   4.962  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.366   6.938   8.276  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.629   8.175   7.506  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.473   6.038   8.632  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.934   5.816   6.981  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.491   6.181   5.152  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.692   6.064   3.708  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.770   5.021   3.063  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.651   4.977   1.839  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.148   5.696   3.418  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.651   6.507   2.223  1.00  0.00           C  
ATOM     46  CD1 LEU A   4      10.157   6.299   2.062  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       7.934   6.040   0.953  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.988   5.591   5.760  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.489   7.023   3.257  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.753   5.916   4.286  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.215   4.643   3.191  1.00  0.00           H  
ATOM     52  HG  LEU A   4       8.447   7.556   2.389  1.00  0.00           H  
ATOM     53 HD11 LEU A   4      10.347   5.293   1.723  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.646   6.457   3.013  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      10.542   7.002   1.339  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       8.526   6.304   0.088  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       6.968   6.518   0.887  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.805   4.968   0.987  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.104   4.174   3.872  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.258   3.218   3.311  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.351   2.590   2.167  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.112   2.956   4.150  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.062   1.995   4.900  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.177   4.190   4.848  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.163   2.781   1.549  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.601   1.871   1.870  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.130   3.837   3.981  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.886   3.723   4.728  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.401   5.107   5.123  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.747   5.485   4.892  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.085   2.878   5.988  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.280   3.408   6.807  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.757   4.117   8.058  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.219   2.264   7.239  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.230   4.565   3.329  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.152   3.255   4.099  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.190   2.936   6.591  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.256   1.861   5.695  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.833   4.113   6.214  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       2.536   4.739   8.471  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.457   3.381   8.790  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       0.907   4.730   7.795  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       2.787   1.310   6.986  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       3.379   2.313   8.303  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       4.169   2.373   6.732  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.317   5.849   5.708  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.074   7.206   6.150  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.178   7.953   5.173  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.490   8.920   5.540  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.431   7.883   6.243  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.035   7.825   7.942  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.206   5.471   5.839  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.617   7.197   7.120  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.114   7.340   5.610  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.364   8.908   5.914  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.174   7.503   3.928  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.639   8.138   2.902  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.134   7.109   1.892  1.00  0.00           C  
ATOM     99  O   ALA A   8      -0.596   6.015   1.879  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.185   9.211   2.191  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -2.045   7.430   1.146  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.730   6.731   3.696  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.490   8.609   3.371  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.463   9.811   1.573  1.00  0.00           H  
ATOM    105  HB2 ALA A   8       0.935   8.736   1.576  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       0.666   9.838   2.927  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   PHE A   1       9.456   2.448   5.428  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.415   2.951   6.452  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.701   3.926   7.380  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.284   4.915   7.826  1.00  0.00           O  
ATOM      5  CB  PHE A   1      11.581   3.653   5.754  1.00  0.00           C  
ATOM      6  CG  PHE A   1      12.631   4.021   6.775  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      12.753   5.345   7.210  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      13.483   3.034   7.288  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      13.726   5.685   8.157  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      14.457   3.374   8.236  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      14.578   4.699   8.670  1.00  0.00           C  
ATOM     12  H1  PHE A   1       8.507   2.821   5.630  1.00  0.00           H  
ATOM     13  H2  PHE A   1       9.434   1.408   5.455  1.00  0.00           H  
ATOM     14  H3  PHE A   1       9.758   2.765   4.485  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.792   2.119   7.029  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      12.012   2.992   5.016  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.224   4.550   5.270  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      12.095   6.106   6.815  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      13.390   2.013   6.953  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      13.819   6.708   8.493  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      15.114   2.614   8.631  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      15.330   4.962   9.401  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.421   3.646   7.680  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.705   4.487   8.523  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.909   4.773   9.803  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.584   5.124   7.830  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.644   4.487   7.354  1.00  0.00           O  
HETATM   28  H   DHA A   2       7.952   2.859   7.331  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.713   4.333  10.318  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.250   5.453  10.324  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.647   6.455   7.790  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.567   7.169   7.166  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.261   6.562   7.664  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.681   7.095   5.642  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.068   7.884   4.925  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.387   6.957   8.194  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.608   8.193   7.471  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.441   6.058   8.602  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.906   5.850   6.949  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.508   6.171   5.155  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.726   6.037   3.713  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.795   5.010   3.063  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.689   4.963   1.838  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.179   5.637   3.448  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.493   5.806   1.959  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       9.498   6.945   1.774  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       9.093   4.508   1.412  1.00  0.00           C  
ATOM     48  H   LEU A   4       7.003   5.594   5.776  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.549   6.995   3.251  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.837   6.264   4.031  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.323   4.604   3.728  1.00  0.00           H  
ATOM     52  HG  LEU A   4       7.584   6.038   1.422  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.458   7.299   0.755  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.493   6.586   1.993  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       9.252   7.754   2.446  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       9.924   4.206   2.033  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       9.439   4.669   0.402  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.341   3.733   1.416  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.111   4.176   3.866  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.256   3.233   3.296  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.339   2.624   2.141  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.114   2.964   4.139  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.066   1.994   4.877  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.173   4.193   4.843  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.147   2.822   1.521  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.584   1.913   1.839  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.133   3.849   3.983  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.890   3.726   4.734  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.398   5.103   5.141  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.758   5.468   4.928  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.097   2.876   5.988  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.291   3.407   6.807  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.766   4.094   8.069  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.246   2.270   7.218  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.233   4.584   3.338  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.157   3.257   4.106  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.204   2.926   6.593  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.273   1.861   5.690  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.833   4.125   6.217  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.136   3.408   8.616  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.193   4.967   7.794  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.598   4.391   8.691  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.422   2.316   8.280  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.187   2.388   6.697  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.817   1.312   6.967  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.312   5.852   5.720  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.055   7.202   6.172  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.112   7.931   5.225  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.832   8.594   5.654  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.400   7.906   6.230  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.032   7.868   7.918  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.206   5.485   5.839  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.627   7.179   7.154  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.082   7.371   5.587  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.308   8.927   5.897  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.380   7.800   3.938  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.445   8.445   2.924  1.00  0.00           C  
ATOM     98  C   ALA A   8      -0.517   7.587   1.666  1.00  0.00           C  
ATOM     99  O   ALA A   8       0.346   7.740   0.819  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.138   9.815   2.578  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.433   6.787   1.571  1.00  0.00           O  
ATOM    102  H   ALA A   8       1.146   7.257   3.665  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.441   8.580   3.316  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.608  10.405   2.066  1.00  0.00           H  
ATOM    105  HB2 ALA A   8       0.999   9.689   1.937  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       0.435  10.321   3.485  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   PHE A   1      11.181   2.845   6.369  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.060   1.918   6.695  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.149   2.570   7.729  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.857   1.985   8.772  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.630   0.612   7.253  1.00  0.00           C  
ATOM      6  CG  PHE A   1      11.513   0.914   8.439  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      12.774   1.490   8.243  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      11.071   0.622   9.735  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      13.594   1.771   9.343  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      11.890   0.904  10.834  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      13.151   1.479  10.638  1.00  0.00           C  
ATOM     12  H1  PHE A   1      11.952   2.313   5.920  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.528   3.290   7.243  1.00  0.00           H  
ATOM     14  H3  PHE A   1      10.844   3.581   5.717  1.00  0.00           H  
ATOM     15  HA  PHE A   1       9.496   1.710   5.798  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       9.818  -0.031   7.561  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.212   0.117   6.489  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      13.115   1.716   7.244  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      10.097   0.178   9.886  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      14.566   2.215   9.192  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      11.549   0.678  11.834  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      13.783   1.697  11.487  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.693   3.802   7.438  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.857   4.460   8.332  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.962   4.586   9.652  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.728   5.097   7.652  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.876   4.462   7.029  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.921   4.275   6.611  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.773   4.145  10.159  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.218   5.134  10.211  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.679   6.423   7.797  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.588   7.142   7.200  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.284   6.519   7.693  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.686   7.106   5.674  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.087   7.929   4.982  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.351   6.914   8.315  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.629   8.157   7.529  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.466   6.016   8.633  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.939   5.804   6.975  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.484   6.177   5.153  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.681   6.078   3.706  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.750   5.044   3.062  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.598   5.023   1.841  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.148   5.715   3.421  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.463   5.763   1.912  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       7.988   4.475   1.232  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       7.783   6.969   1.256  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.974   5.573   5.753  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.471   7.040   3.276  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.790   6.414   3.936  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.343   4.719   3.791  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.533   5.848   1.785  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       7.531   3.825   1.963  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       8.834   3.973   0.787  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       7.270   4.716   0.463  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       7.920   7.843   1.875  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       6.728   6.771   1.136  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.226   7.144   0.287  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.109   4.176   3.868  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.253   3.227   3.310  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.331   2.605   2.161  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.117   2.965   4.162  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.092   2.020   4.932  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.203   4.175   4.841  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.136   2.798   1.535  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.575   1.891   1.869  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.120   3.827   3.983  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.882   3.709   4.745  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.399   5.091   5.152  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.767   5.445   4.987  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.094   2.865   6.003  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.276   3.419   6.824  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.736   4.125   8.068  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.235   2.294   7.265  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.203   4.543   3.314  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.142   3.241   4.125  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.198   2.904   6.604  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.287   1.853   5.709  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.819   4.130   6.227  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.037   3.477   8.575  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.235   5.036   7.776  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.555   4.362   8.732  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       2.824   1.331   7.010  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       3.385   2.348   8.330  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       4.187   2.421   6.765  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.334   5.855   5.676  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.092   7.210   6.121  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.209   7.970   5.138  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.231   9.085   5.419  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.450   7.879   6.236  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.032   7.807   7.941  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.236   5.494   5.763  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.619   7.194   7.085  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.137   7.333   5.610  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.393   8.906   5.911  1.00  0.00           H  
ATOM     96  N   ALA A   8      -0.048   7.356   3.991  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.882   7.973   2.971  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.854   8.968   3.597  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.990   8.589   3.831  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -1.666   6.888   2.239  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.448  10.095   3.832  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.329   6.469   3.826  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.253   8.489   2.262  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -1.886   7.218   1.236  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -2.588   6.694   2.768  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -1.075   5.984   2.202  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   PHE A   1      10.416   0.465   7.445  1.00  0.00           N1+
ATOM      2  CA  PHE A   1       9.846   1.693   6.824  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.081   2.484   7.880  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.983   2.066   9.033  1.00  0.00           O  
ATOM      5  CB  PHE A   1       8.905   1.298   5.685  1.00  0.00           C  
ATOM      6  CG  PHE A   1       9.698   0.637   4.583  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      10.638   1.379   3.857  1.00  0.00           C  
ATOM      8  CD2 PHE A   1       9.493  -0.716   4.288  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      11.372   0.766   2.834  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      10.229  -1.328   3.266  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      11.169  -0.587   2.538  1.00  0.00           C  
ATOM     12  H1  PHE A   1      11.431   0.603   7.621  1.00  0.00           H  
ATOM     13  H2  PHE A   1      10.282  -0.342   6.800  1.00  0.00           H  
ATOM     14  H3  PHE A   1       9.934   0.274   8.345  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.648   2.302   6.433  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       8.161   0.607   6.056  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       8.417   2.179   5.297  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      10.796   2.422   4.085  1.00  0.00           H  
ATOM     19  HD2 PHE A   1       8.768  -1.287   4.848  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      12.098   1.339   2.274  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      10.071  -2.372   3.037  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      11.736  -1.058   1.751  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.530   3.645   7.481  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.817   4.420   8.387  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.044   4.637   9.677  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.671   5.075   7.750  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.741   4.447   7.244  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.603   3.983   6.565  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.869   4.183  10.150  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.384   5.272  10.251  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.706   6.407   7.792  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.608   7.139   7.222  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.308   6.514   7.729  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.689   7.117   5.693  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.088   7.950   5.015  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.443   6.896   8.215  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.661   8.151   7.561  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.496   6.037   8.680  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.973   5.776   7.030  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.476   6.185   5.157  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.656   6.095   3.706  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.739   5.049   3.061  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.608   5.012   1.837  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.113   5.755   3.386  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.905   7.047   3.179  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       8.494   7.693   1.855  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.613   8.012   4.330  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.968   5.574   5.746  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.428   7.056   3.273  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.540   5.197   4.207  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.154   5.161   2.486  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.962   6.820   3.156  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       7.684   8.386   2.030  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       8.169   6.927   1.166  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       9.336   8.222   1.436  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       9.469   8.650   4.492  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       8.409   7.449   5.230  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.753   8.617   4.082  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.092   4.191   3.870  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.247   3.232   3.317  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.331   2.600   2.175  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.116   2.969   4.175  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.111   2.045   4.967  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.173   4.203   4.845  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.134   2.795   1.548  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.581   1.878   1.889  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.102   3.810   3.976  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.867   3.691   4.746  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.390   5.069   5.174  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.793   5.400   5.090  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.084   2.840   5.999  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.245   3.422   6.833  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.672   4.125   8.065  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.218   2.320   7.294  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.173   4.511   3.289  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.121   3.228   4.128  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.182   2.857   6.591  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.304   1.835   5.703  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.781   4.142   6.239  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       0.750   4.623   7.799  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       2.383   4.852   8.428  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.477   3.396   8.837  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       4.176   2.466   6.809  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       2.832   1.346   7.035  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       3.350   2.380   8.361  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.345   5.853   5.630  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.117   7.210   6.091  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.260   8.015   5.121  1.00  0.00           C  
ATOM     89  O   CYS A   7       0.055   9.213   5.312  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.488   7.850   6.229  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.037   7.791   7.946  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.255   5.506   5.662  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.638   7.187   7.049  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.174   7.278   5.625  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.461   8.872   5.887  1.00  0.00           H  
ATOM     96  N   ALA A   8      -0.239   7.356   4.089  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -1.075   8.014   3.101  1.00  0.00           C  
ATOM     98  C   ALA A   8      -2.264   8.705   3.767  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.041   9.470   4.691  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -1.581   6.974   2.111  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -3.380   8.460   3.340  1.00  0.00           O  
ATOM    102  H   ALA A   8      -0.043   6.405   3.986  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.489   8.748   2.571  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -1.765   6.047   2.634  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -0.834   6.816   1.348  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -2.495   7.323   1.661  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   PHE A   1      12.372   3.510   7.127  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      11.067   3.780   6.458  1.00  0.00           C  
ATOM      3  C   PHE A   1      10.131   4.477   7.437  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.532   5.401   8.146  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.451   2.457   5.998  1.00  0.00           C  
ATOM      6  CG  PHE A   1      11.436   1.719   5.122  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      11.267   1.711   3.733  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      12.518   1.042   5.700  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      12.179   1.027   2.920  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      13.429   0.359   4.887  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      13.260   0.350   3.498  1.00  0.00           C  
ATOM     12  H1  PHE A   1      12.561   4.254   7.828  1.00  0.00           H  
ATOM     13  H2  PHE A   1      13.130   3.503   6.416  1.00  0.00           H  
ATOM     14  H3  PHE A   1      12.333   2.589   7.605  1.00  0.00           H  
ATOM     15  HA  PHE A   1      11.230   4.417   5.601  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      10.212   1.853   6.860  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       9.550   2.655   5.436  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      10.434   2.233   3.288  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      12.648   1.049   6.772  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      12.048   1.020   1.849  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      14.264  -0.163   5.333  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      13.964  -0.177   2.871  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.863   4.030   7.481  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.951   4.617   8.352  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.994   4.727   9.675  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.810   5.195   7.637  1.00  0.00           C  
HETATM   27  O   DHA A   2       6.017   4.518   6.983  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.535   3.296   6.922  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.808   4.331  10.210  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.193   5.216  10.210  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.685   6.512   7.789  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.576   7.178   7.164  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.286   6.540   7.675  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.681   7.097   5.638  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.054   7.875   4.921  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.312   7.033   8.335  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.590   8.205   7.460  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.489   6.034   8.608  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.935   5.825   6.960  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.513   6.179   5.149  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.721   6.040   3.707  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.786   5.009   3.068  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.664   4.963   1.843  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.172   5.642   3.432  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.972   6.875   3.012  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       8.540   7.313   1.611  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.711   8.012   4.002  1.00  0.00           C  
ATOM     48  H   LEU A   4       7.020   5.610   5.766  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.539   6.997   3.242  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.604   5.220   4.328  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.200   4.909   2.639  1.00  0.00           H  
ATOM     52  HG  LEU A   4      10.025   6.635   3.004  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       8.088   6.477   1.097  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       9.403   7.651   1.057  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       7.824   8.116   1.689  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       9.646   8.490   4.257  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       8.256   7.614   4.896  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.049   8.737   3.552  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.117   4.167   3.878  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.264   3.219   3.314  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.357   2.591   2.170  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.109   2.964   4.146  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.049   1.999   4.891  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.194   4.181   4.854  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.174   2.777   1.557  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.603   1.879   1.869  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.132   3.851   3.970  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.880   3.736   4.707  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.395   5.115   5.120  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.754   5.495   4.889  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.061   2.877   5.957  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.245   3.398   6.800  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.700   4.094   8.047  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.176   2.248   7.235  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.241   4.579   3.321  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.149   3.279   4.067  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.159   2.928   6.548  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.235   1.863   5.656  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.808   4.108   6.221  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       2.521   4.514   8.611  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.173   3.377   8.659  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.025   4.883   7.753  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       4.134   2.360   6.744  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       2.747   1.297   6.964  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       3.318   2.286   8.302  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.305   5.846   5.724  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.055   7.194   6.189  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.122   7.941   5.247  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.510   8.925   5.633  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.402   7.889   6.264  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.033   7.820   7.953  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.191   5.467   5.855  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.619   7.163   7.170  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.082   7.362   5.613  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.312   8.916   5.948  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.043   7.470   4.013  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.815   8.104   3.023  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.378   7.068   2.055  1.00  0.00           C  
ATOM     99  O   ALA A   8      -0.962   5.924   2.136  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -0.016   9.155   2.254  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -2.216   7.435   1.249  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.571   6.684   3.764  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.632   8.591   3.530  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.113   8.977   1.195  1.00  0.00           H  
ATOM    105  HB2 ALA A   8       1.025   9.091   2.537  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -0.394  10.137   2.493  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   PHE A   1       8.936   1.744   5.720  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.084   2.432   6.375  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.555   3.517   7.308  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.291   4.419   7.711  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.981   3.054   5.303  1.00  0.00           C  
ATOM      6  CG  PHE A   1      12.028   2.054   4.875  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      13.383   2.408   4.895  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      11.646   0.773   4.456  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      14.354   1.483   4.495  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      12.618  -0.152   4.058  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      13.972   0.203   4.077  1.00  0.00           C  
ATOM     12  H1  PHE A   1       8.139   2.406   5.632  1.00  0.00           H  
ATOM     13  H2  PHE A   1       8.647   0.927   6.297  1.00  0.00           H  
ATOM     14  H3  PHE A   1       9.220   1.418   4.774  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.653   1.715   6.947  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      10.379   3.333   4.450  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.464   3.932   5.703  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      13.678   3.396   5.218  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      10.601   0.499   4.442  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      15.398   1.755   4.511  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      12.323  -1.140   3.735  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      14.722  -0.511   3.769  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.259   3.428   7.658  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.697   4.374   8.507  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.045   4.712   9.745  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.563   5.056   7.876  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.569   4.451   7.478  1.00  0.00           O  
HETATM   28  H   DHA A   2       7.671   2.711   7.341  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.861   4.237  10.206  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.497   5.472  10.283  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.685   6.386   7.794  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.601   7.137   7.216  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.288   6.540   7.719  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.686   7.114   5.687  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.087   7.948   5.009  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.474   6.862   8.130  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.668   8.150   7.553  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.461   6.062   8.672  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.940   5.809   7.021  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.473   6.183   5.150  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.652   6.096   3.700  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.752   5.032   3.057  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.648   4.969   1.832  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.114   5.780   3.382  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.627   6.742   2.309  1.00  0.00           C  
ATOM     46  CD1 LEU A   4      10.145   6.604   2.181  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       7.970   6.409   0.968  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.965   5.569   5.736  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.410   7.055   3.268  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.709   5.889   4.277  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.192   4.767   3.019  1.00  0.00           H  
ATOM     52  HG  LEU A   4       8.382   7.757   2.590  1.00  0.00           H  
ATOM     53 HD11 LEU A   4      10.521   6.008   3.000  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.599   7.583   2.210  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      10.385   6.123   1.245  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       8.576   6.797   0.163  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       6.988   6.857   0.926  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.880   5.337   0.867  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.087   4.189   3.871  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.255   3.213   3.324  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.357   2.564   2.194  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.114   2.955   4.172  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.089   2.021   4.955  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.148   4.223   4.846  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.165   2.754   1.573  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.616   1.831   1.910  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.118   3.815   3.977  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.878   3.710   4.734  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.405   5.099   5.125  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.748   5.476   4.918  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.081   2.875   5.999  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.262   3.430   6.821  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.716   4.165   8.047  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.203   2.304   7.290  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.205   4.523   3.304  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.137   3.241   4.114  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.182   2.921   6.596  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.271   1.859   5.714  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.818   4.127   6.220  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       0.975   4.885   7.734  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       2.524   4.675   8.550  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.263   3.453   8.722  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.336   2.367   8.356  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.164   2.418   6.805  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.790   1.341   7.033  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.338   5.848   5.678  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.108   7.211   6.108  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.238   7.959   5.110  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.664   8.707   5.487  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.474   7.871   6.214  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.046   7.844   7.925  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.229   5.471   5.789  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.636   7.215   7.070  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.159   7.302   5.608  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.430   8.888   5.860  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.522   7.747   3.835  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.231   8.399   2.773  1.00  0.00           C  
ATOM     98  C   ALA A   8      -0.336   7.490   1.553  1.00  0.00           C  
ATOM     99  O   ALA A   8       0.644   7.382   0.833  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.457   9.707   2.381  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.393   6.914   1.356  1.00  0.00           O  
ATOM    102  H   ALA A   8       1.253   7.139   3.608  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.224   8.622   3.131  1.00  0.00           H  
ATOM    104  HB1 ALA A   8       1.524   9.605   2.513  1.00  0.00           H  
ATOM    105  HB2 ALA A   8       0.092  10.507   3.009  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       0.242   9.932   1.348  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   PHE A   1      10.827   4.090   4.768  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.016   3.281   5.724  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.244   4.215   6.648  1.00  0.00           C  
ATOM      4  O   PHE A   1       9.380   5.436   6.568  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.946   2.384   6.544  1.00  0.00           C  
ATOM      6  CG  PHE A   1      10.146   1.657   7.600  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      10.001   2.216   8.876  1.00  0.00           C  
ATOM      8  CD2 PHE A   1       9.548   0.426   7.304  1.00  0.00           C  
ATOM      9  CE1 PHE A   1       9.259   1.544   9.854  1.00  0.00           C  
ATOM     10  CE2 PHE A   1       8.806  -0.246   8.284  1.00  0.00           C  
ATOM     11  CZ  PHE A   1       8.662   0.313   9.558  1.00  0.00           C  
ATOM     12  H1  PHE A   1      10.534   5.085   4.821  1.00  0.00           H  
ATOM     13  H2  PHE A   1      10.679   3.734   3.801  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.834   4.013   5.016  1.00  0.00           H  
ATOM     15  HA  PHE A   1       9.320   2.666   5.171  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      11.419   1.663   5.892  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.703   2.989   7.020  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      10.462   3.166   9.104  1.00  0.00           H  
ATOM     19  HD2 PHE A   1       9.660  -0.006   6.320  1.00  0.00           H  
ATOM     20  HE1 PHE A   1       9.148   1.976  10.838  1.00  0.00           H  
ATOM     21  HE2 PHE A   1       8.346  -1.195   8.055  1.00  0.00           H  
ATOM     22  HZ  PHE A   1       8.089  -0.205  10.314  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.418   3.635   7.537  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.678   4.421   8.412  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.848   4.635   9.712  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.570   5.088   7.729  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.652   4.472   7.188  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.304   2.665   7.605  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.644   4.173  10.219  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.172   5.279  10.254  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.617   6.421   7.771  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.548   7.153   7.156  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.236   6.553   7.643  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.668   7.087   5.631  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.050   7.871   4.912  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.341   6.905   8.224  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.598   8.175   7.471  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.413   6.024   8.569  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.871   5.864   6.913  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.505   6.170   5.149  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.735   6.033   3.710  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.803   5.007   3.059  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.693   4.961   1.834  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.188   5.624   3.460  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.795   6.512   2.371  1.00  0.00           C  
ATOM     46  CD1 LEU A   4      10.264   6.138   2.166  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.032   6.307   1.060  1.00  0.00           C  
ATOM     48  H   LEU A   4       7.001   5.597   5.772  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.565   6.991   3.243  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.754   5.736   4.374  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.222   4.593   3.142  1.00  0.00           H  
ATOM     52  HG  LEU A   4       8.726   7.547   2.672  1.00  0.00           H  
ATOM     53 HD11 LEU A   4      10.332   5.107   1.851  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.801   6.268   3.093  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      10.694   6.775   1.407  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       7.750   5.269   0.966  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       8.664   6.584   0.229  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.145   6.923   1.059  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.118   4.170   3.862  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.263   3.229   3.290  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.345   2.622   2.134  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.120   2.959   4.131  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.061   1.977   4.855  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.182   4.185   4.839  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.155   2.821   1.515  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.590   1.912   1.829  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.151   3.858   3.993  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.911   3.737   4.745  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.412   5.117   5.134  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.731   5.491   4.871  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.121   2.896   6.005  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.339   3.410   6.800  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.853   4.109   8.070  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.283   2.258   7.196  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.256   4.602   3.362  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.179   3.259   4.121  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.241   2.968   6.625  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.273   1.876   5.713  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.880   4.118   6.196  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.284   3.414   8.670  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.228   4.948   7.804  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.704   4.460   8.636  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.473   2.298   8.256  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.220   2.365   6.665  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.839   1.307   6.947  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.308   5.861   5.747  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.038   7.215   6.181  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.104   7.922   5.212  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.763   8.696   5.616  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.377   7.932   6.247  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.022   7.865   7.929  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.195   5.490   5.899  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.595   7.202   7.157  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.059   7.418   5.589  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.272   8.958   5.937  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.290   7.644   3.933  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.538   8.250   2.900  1.00  0.00           C  
ATOM     98  C   ALA A   8      -0.735   7.282   1.738  1.00  0.00           C  
ATOM     99  O   ALA A   8      -0.994   7.749   0.641  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.119   9.537   2.399  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -0.620   6.088   1.962  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.997   7.017   3.681  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.501   8.493   3.322  1.00  0.00           H  
ATOM    104  HB1 ALA A   8       1.194   9.431   2.436  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -0.182  10.362   3.028  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -0.190   9.727   1.384  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   PHE A   1      11.205   1.235   7.608  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.132   1.966   6.875  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.196   2.629   7.879  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.890   2.061   8.927  1.00  0.00           O  
ATOM      5  CB  PHE A   1       9.356   0.979   6.001  1.00  0.00           C  
ATOM      6  CG  PHE A   1      10.227   0.544   4.849  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      11.131  -0.513   5.013  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      10.132   1.198   3.614  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      11.941  -0.914   3.944  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      10.943   0.796   2.545  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      11.846  -0.261   2.710  1.00  0.00           C  
ATOM     12  H1  PHE A   1      12.134   1.597   7.314  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.143   0.219   7.390  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.087   1.380   8.631  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.580   2.724   6.249  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       9.078   0.117   6.591  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       8.466   1.456   5.620  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      11.203  -1.017   5.965  1.00  0.00           H  
ATOM     19  HD2 PHE A   1       9.435   2.013   3.487  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      12.638  -1.729   4.073  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      10.869   1.301   1.593  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      12.471  -0.571   1.886  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.735   3.852   7.557  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.881   4.521   8.425  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.968   4.680   9.742  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.749   5.128   7.717  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.903   4.467   7.115  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.976   4.312   6.726  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.778   4.263  10.270  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.210   5.232  10.279  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.692   6.457   7.823  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.597   7.157   7.207  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.295   6.536   7.713  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.695   7.104   5.677  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.089   7.918   4.980  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.360   6.966   8.331  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.632   8.178   7.521  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.481   6.056   8.664  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.953   5.800   7.014  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.497   6.174   5.157  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.685   6.072   3.707  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.766   5.030   3.060  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.654   4.979   1.835  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.141   5.722   3.396  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.399   5.898   1.896  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       9.826   6.404   1.678  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.222   4.554   1.182  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.994   5.574   5.757  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.466   7.032   3.268  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.795   6.377   3.953  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.334   4.696   3.675  1.00  0.00           H  
ATOM     52  HG  LEU A   4       7.698   6.616   1.494  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.993   7.281   2.285  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       9.963   6.657   0.637  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      10.529   5.634   1.956  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       9.186   4.085   1.053  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       7.769   4.717   0.216  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.586   3.912   1.774  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.093   4.193   3.868  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.246   3.239   3.310  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.330   2.613   2.163  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.114   2.975   4.164  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.103   2.042   4.944  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.158   4.216   4.844  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.135   2.808   1.538  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.579   1.893   1.872  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.104   3.822   3.974  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.868   3.697   4.741  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.386   5.072   5.171  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.795   5.406   5.068  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.084   2.842   5.991  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.249   3.411   6.827  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.684   4.102   8.070  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.225   2.304   7.272  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.179   4.529   3.294  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.126   3.236   4.119  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.182   2.860   6.585  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.296   1.835   5.691  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.784   4.137   6.238  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       0.985   3.443   8.563  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.178   5.010   7.778  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.492   4.343   8.746  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       4.183   2.462   6.792  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       2.843   1.334   6.994  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       3.353   2.345   8.340  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.333   5.850   5.652  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.099   7.203   6.117  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.206   7.992   5.162  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.103   9.157   5.415  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.462   7.863   6.226  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.035   7.820   7.934  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.242   5.502   5.695  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.642   7.174   7.091  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.148   7.299   5.614  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.414   8.883   5.880  1.00  0.00           H  
ATOM     96  N   ALA A   8      -0.203   7.355   4.071  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -1.059   8.006   3.088  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.874   9.124   3.732  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.845   8.812   4.403  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -2.007   6.974   2.478  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.516  10.274   3.544  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.076   6.431   3.922  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.445   8.423   2.306  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -2.418   7.363   1.560  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -2.808   6.769   3.174  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -1.464   6.064   2.275  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   PHE A   1       9.415   1.109   6.733  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.235   2.352   6.708  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.639   3.369   7.676  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.359   4.015   8.436  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.244   2.923   5.287  1.00  0.00           C  
ATOM      6  CG  PHE A   1      11.336   2.258   4.482  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      11.003   1.394   3.431  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      12.680   2.505   4.787  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      12.016   0.778   2.686  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      13.691   1.888   4.042  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      13.359   1.025   2.991  1.00  0.00           C  
ATOM     12  H1  PHE A   1       9.283   0.802   7.718  1.00  0.00           H  
ATOM     13  H2  PHE A   1       9.902   0.361   6.199  1.00  0.00           H  
ATOM     14  H3  PHE A   1       8.488   1.297   6.304  1.00  0.00           H  
ATOM     15  HA  PHE A   1      11.247   2.121   7.008  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       9.288   2.739   4.820  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      10.425   3.987   5.328  1.00  0.00           H  
ATOM     18  HD1 PHE A   1       9.967   1.204   3.196  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      12.936   3.171   5.598  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      11.760   0.112   1.875  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      14.728   2.079   4.276  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      14.139   0.549   2.416  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.302   3.508   7.649  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.677   4.411   8.502  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.963   4.723   9.762  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.553   5.081   7.843  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.580   4.468   7.403  1.00  0.00           O  
HETATM   28  H   DHA A   2       7.724   2.993   7.047  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.772   4.258  10.245  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.368   5.451  10.295  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.654   6.410   7.787  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.578   7.149   7.185  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.265   6.552   7.684  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.679   7.101   5.659  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.067   7.908   4.960  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.424   6.894   8.157  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.636   8.168   7.508  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.438   6.059   8.630  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.910   5.833   6.977  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.494   6.177   5.148  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.698   6.066   3.703  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.785   5.014   3.056  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.690   4.949   1.831  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.159   5.713   3.416  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.400   5.705   1.904  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       9.624   6.564   1.575  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.648   4.269   1.435  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.991   5.585   5.754  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.486   7.022   3.253  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.803   6.447   3.879  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.379   4.736   3.820  1.00  0.00           H  
ATOM     52  HG  LEU A   4       7.534   6.106   1.398  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.815   6.525   0.513  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.483   6.187   2.110  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       9.436   7.585   1.870  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       7.924   3.610   1.892  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       9.643   3.963   1.722  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.552   4.218   0.360  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.101   4.184   3.868  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.260   3.220   3.312  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.354   2.584   2.174  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.115   2.959   4.156  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.074   2.007   4.917  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.154   4.218   4.844  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.165   2.775   1.555  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.608   1.860   1.883  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.128   3.835   3.981  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.887   3.723   4.734  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.402   5.109   5.127  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.748   5.485   4.896  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.091   2.886   5.997  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.286   3.428   6.810  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.759   4.155   8.048  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.224   2.290   7.258  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.225   4.558   3.324  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.151   3.251   4.111  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.199   2.942   6.602  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.269   1.868   5.709  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.839   4.124   6.207  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.044   4.905   7.747  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       2.581   4.629   8.564  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.282   3.444   8.708  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       2.794   1.332   7.014  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       3.381   2.351   8.322  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       4.175   2.394   6.752  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.318   5.851   5.708  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.074   7.209   6.148  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.149   7.942   5.185  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.807   8.597   5.598  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.428   7.894   6.218  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.037   7.864   7.916  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.206   5.475   5.837  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.633   7.197   7.124  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.109   7.344   5.591  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.356   8.913   5.876  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.444   7.823   3.902  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.363   8.474   2.876  1.00  0.00           C  
ATOM     98  C   ALA A   8      -0.402   7.629   1.606  1.00  0.00           C  
ATOM     99  O   ALA A   8      -1.468   7.518   1.024  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.212   9.856   2.561  1.00  0.00           C  
ATOM    101  OXT ALA A   8       0.637   7.107   1.234  1.00  0.00           O  
ATOM    102  H   ALA A   8       1.217   7.285   3.640  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.370   8.593   3.247  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.577  10.592   2.601  1.00  0.00           H  
ATOM    105  HB2 ALA A   8       0.647   9.847   1.572  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       0.973  10.103   3.286  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       11                                                                  
ATOM      1  N   PHE A   1       8.846   1.698   5.393  1.00  0.00           N1+
ATOM      2  CA  PHE A   1       9.513   1.516   6.713  1.00  0.00           C  
ATOM      3  C   PHE A   1       8.769   2.326   7.769  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.455   1.821   8.846  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.964   1.989   6.617  1.00  0.00           C  
ATOM      6  CG  PHE A   1      11.612   1.378   5.398  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      12.188   0.104   5.477  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      11.636   2.083   4.190  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      12.787  -0.464   4.346  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      12.235   1.516   3.059  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      12.812   0.242   3.137  1.00  0.00           C  
ATOM     12  H1  PHE A   1       9.431   2.309   4.790  1.00  0.00           H  
ATOM     13  H2  PHE A   1       7.913   2.138   5.535  1.00  0.00           H  
ATOM     14  H3  PHE A   1       8.727   0.773   4.934  1.00  0.00           H  
ATOM     15  HA  PHE A   1       9.492   0.471   6.983  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      10.988   3.066   6.537  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      11.502   1.682   7.502  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      12.170  -0.441   6.409  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      11.192   3.067   4.129  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      13.232  -1.446   4.406  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      12.254   2.061   2.127  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      13.274  -0.196   2.265  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.481   3.602   7.455  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.803   4.405   8.364  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.060   4.633   9.649  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.656   5.071   7.740  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.714   4.453   7.245  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.727   4.009   6.598  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.886   4.169  10.108  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.426   5.288  10.228  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.705   6.403   7.778  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.608   7.143   7.214  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.306   6.525   7.725  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.684   7.121   5.687  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.077   7.951   5.010  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.453   6.888   8.187  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.668   8.155   7.554  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.493   6.051   8.678  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.965   5.785   7.030  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.473   6.192   5.150  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.652   6.098   3.700  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.742   5.040   3.062  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.617   4.989   1.838  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.110   5.770   3.379  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.387   6.059   1.900  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       9.440   7.163   1.781  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.905   4.789   1.221  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.970   5.583   5.740  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.416   7.056   3.264  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.759   6.378   3.993  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.297   4.726   3.581  1.00  0.00           H  
ATOM     52  HG  LEU A   4       7.475   6.380   1.418  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.762   7.243   0.753  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      10.287   6.924   2.406  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       9.012   8.104   2.099  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       9.861   4.519   1.643  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       9.017   4.968   0.162  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.202   3.984   1.378  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.093   4.187   3.879  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.255   3.215   3.333  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.354   2.561   2.204  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.112   2.965   4.178  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.085   2.038   4.968  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.171   4.210   4.853  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.164   2.743   1.584  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.607   1.832   1.923  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.111   3.817   3.970  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.866   3.709   4.724  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.396   5.093   5.134  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.768   5.458   4.974  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.055   2.858   5.981  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.221   3.406   6.831  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.652   4.118   8.061  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.158   2.276   7.300  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.197   4.519   3.287  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.126   3.253   4.094  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.147   2.893   6.564  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.253   1.846   5.685  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.785   4.115   6.250  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       0.780   4.688   7.775  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       2.399   4.782   8.470  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.375   3.385   8.805  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.270   2.321   8.369  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.128   2.401   6.836  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.754   1.315   7.020  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.340   5.846   5.659  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.114   7.202   6.111  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.238   7.978   5.135  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.191   9.095   5.426  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.481   7.852   6.226  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.045   7.811   7.939  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.237   5.475   5.740  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.644   7.187   7.076  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.165   7.283   5.619  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.443   8.873   5.877  1.00  0.00           H  
ATOM     96  N   ALA A   8      -0.028   7.376   3.984  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.859   8.010   2.971  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.824   9.007   3.607  1.00  0.00           C  
ATOM     99  O   ALA A   8      -1.436  10.150   3.777  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -1.651   6.937   2.231  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -2.936   8.611   3.915  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.340   6.486   3.811  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.227   8.528   2.267  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -2.368   7.407   1.577  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -2.168   6.317   2.949  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -0.975   6.328   1.651  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       12                                                                  
ATOM      1  N   PHE A   1      10.426   2.325   6.421  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      11.081   3.542   6.976  1.00  0.00           C  
ATOM      3  C   PHE A   1      10.102   4.274   7.890  1.00  0.00           C  
ATOM      4  O   PHE A   1      10.501   5.118   8.692  1.00  0.00           O  
ATOM      5  CB  PHE A   1      11.507   4.459   5.828  1.00  0.00           C  
ATOM      6  CG  PHE A   1      12.758   5.209   6.220  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      14.017   4.672   5.922  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      12.661   6.439   6.882  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      15.178   5.365   6.285  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      13.822   7.132   7.245  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      15.080   6.596   6.947  1.00  0.00           C  
ATOM     12  H1  PHE A   1       9.578   2.100   6.978  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.090   1.524   6.462  1.00  0.00           H  
ATOM     14  H3  PHE A   1      10.152   2.497   5.433  1.00  0.00           H  
ATOM     15  HA  PHE A   1      11.952   3.252   7.545  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      11.702   3.866   4.947  1.00  0.00           H  
ATOM     17  HB3 PHE A   1      10.716   5.165   5.618  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      14.092   3.723   5.411  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      11.690   6.852   7.112  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      16.148   4.950   6.055  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      13.746   8.081   7.755  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      15.977   7.130   7.227  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.802   3.946   7.769  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.859   4.575   8.571  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.846   4.732   9.889  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.752   5.144   7.791  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.937   4.456   7.177  1.00  0.00           O  
HETATM   28  H   DHA A   2       8.474   3.276   7.134  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.631   4.344  10.474  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.028   5.251  10.368  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.673   6.473   7.867  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.590   7.150   7.203  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.284   6.524   7.685  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.709   7.090   5.674  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.100   7.896   4.973  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.308   6.997   8.398  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.601   8.174   7.507  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.463   6.012   8.620  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.941   5.816   6.961  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.512   6.163   5.153  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.684   6.074   3.698  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.761   5.031   3.058  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.621   4.997   1.834  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.149   5.773   3.335  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.510   4.319   3.664  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       8.058   3.989   5.082  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       7.834   3.368   2.672  1.00  0.00           C  
ATOM     48  H   LEU A   4       7.006   5.559   5.744  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.432   7.037   3.277  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.295   5.944   2.279  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.795   6.434   3.893  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.582   4.200   3.598  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       8.423   4.748   5.754  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       8.459   3.028   5.373  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       6.980   3.957   5.122  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       7.534   3.918   1.793  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       6.964   2.923   3.134  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.528   2.591   2.390  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.110   4.172   3.870  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.257   3.217   3.315  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.342   2.583   2.174  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.115   2.962   4.163  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.082   2.019   4.935  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.194   4.183   4.844  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.150   2.768   1.551  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.587   1.865   1.886  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.122   3.828   3.977  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.880   3.718   4.732  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.401   5.100   5.134  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.758   5.467   4.939  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.080   2.871   5.990  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.263   3.413   6.820  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.718   4.128   8.056  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.200   2.276   7.272  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.212   4.541   3.308  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.142   3.253   4.107  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.182   2.917   6.586  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.265   1.858   5.696  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.820   4.116   6.228  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       2.536   4.564   8.609  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.199   3.416   8.682  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       1.034   4.906   7.751  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.339   2.328   8.339  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.161   2.391   6.785  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.781   1.319   7.009  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.328   5.851   5.691  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.084   7.208   6.135  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.194   7.956   5.152  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.309   9.039   5.453  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.439   7.885   6.240  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.035   7.813   7.942  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.224   5.482   5.799  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.613   7.193   7.100  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.124   7.347   5.606  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.370   8.912   5.919  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.004   7.367   3.981  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.828   7.971   2.954  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.867   8.900   3.573  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.788   8.395   4.196  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -1.530   6.868   2.172  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -1.728  10.102   3.414  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.431   6.504   3.804  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.204   8.536   2.278  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -0.818   6.095   1.924  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -1.950   7.279   1.268  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -2.320   6.448   2.780  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       13                                                                  
ATOM      1  N   PHE A   1      11.269   2.064   6.781  1.00  0.00           N1+
ATOM      2  CA  PHE A   1       9.826   1.846   6.484  1.00  0.00           C  
ATOM      3  C   PHE A   1       8.978   2.532   7.548  1.00  0.00           C  
ATOM      4  O   PHE A   1       8.560   1.905   8.523  1.00  0.00           O  
ATOM      5  CB  PHE A   1       9.529   0.346   6.476  1.00  0.00           C  
ATOM      6  CG  PHE A   1       9.464  -0.147   5.050  1.00  0.00           C  
ATOM      7  CD1 PHE A   1       8.224  -0.431   4.463  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      10.643  -0.320   4.315  1.00  0.00           C  
ATOM      9  CE1 PHE A   1       8.163  -0.888   3.141  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      10.582  -0.777   2.993  1.00  0.00           C  
ATOM     11  CZ  PHE A   1       9.342  -1.062   2.406  1.00  0.00           C  
ATOM     12  H1  PHE A   1      11.435   3.070   6.976  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.840   1.771   5.961  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.542   1.502   7.612  1.00  0.00           H  
ATOM     15  HA  PHE A   1       9.591   2.263   5.515  1.00  0.00           H  
ATOM     16  HB2 PHE A   1      10.311  -0.179   7.004  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       8.581   0.164   6.963  1.00  0.00           H  
ATOM     18  HD1 PHE A   1       7.314  -0.296   5.029  1.00  0.00           H  
ATOM     19  HD2 PHE A   1      11.598  -0.101   4.766  1.00  0.00           H  
ATOM     20  HE1 PHE A   1       7.208  -1.107   2.689  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      11.491  -0.912   2.425  1.00  0.00           H  
ATOM     22  HZ  PHE A   1       9.296  -1.414   1.386  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.718   3.836   7.363  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.951   4.530   8.291  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.147   4.701   9.595  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.781   5.149   7.662  1.00  0.00           C  
HETATM   27  O   DHA A   2       5.896   4.496   7.108  1.00  0.00           O  
HETATM   28  H   DHA A   2       9.047   4.341   6.590  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.989   4.272  10.061  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.445   5.272  10.185  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.745   6.476   7.764  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.626   7.181   7.203  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.341   6.555   7.746  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.683   7.131   5.675  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.061   7.943   4.991  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.450   6.982   8.220  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.674   8.200   7.521  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.546   6.110   8.709  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       4.000   5.792   7.075  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.480   6.204   5.147  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.653   6.088   3.697  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.750   5.016   3.074  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.642   4.935   1.850  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.113   5.765   3.380  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.846   7.048   2.986  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       8.404   7.483   1.588  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.514   8.154   3.991  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.991   5.614   5.743  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.412   7.040   3.247  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.583   5.333   4.252  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.157   5.062   2.562  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.912   6.868   2.986  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       9.216   7.337   0.892  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       8.130   8.528   1.606  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       7.554   6.894   1.279  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       7.721   8.772   3.596  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       9.390   8.761   4.162  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       8.196   7.711   4.922  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.091   4.182   3.901  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.263   3.199   3.361  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.386   2.519   2.251  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.099   2.965   4.185  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.051   2.043   4.978  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.156   4.225   4.876  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.210   2.688   1.645  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.647   1.784   1.969  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.104   3.820   3.946  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.839   3.723   4.668  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.381   5.106   5.102  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.775   5.492   4.930  1.00  0.00           O  
ATOM     71  CB  LEU A   6       0.980   2.841   5.911  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.115   3.368   6.815  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.503   4.073   8.025  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.020   2.222   7.311  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.208   4.513   3.258  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.105   3.294   4.011  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.052   2.868   6.463  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.185   1.836   5.602  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.712   4.077   6.265  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       2.236   4.732   8.467  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.197   3.337   8.753  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       0.645   4.648   7.711  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       4.013   2.350   6.900  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       2.624   1.271   6.993  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       3.075   2.246   8.385  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.325   5.829   5.665  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.114   7.176   6.153  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.199   7.978   5.236  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.601   8.792   5.698  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.482   7.826   6.233  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.064   7.828   7.942  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.214   5.440   5.754  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.686   7.138   7.133  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.159   7.240   5.633  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.440   8.837   5.859  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.328   7.751   3.941  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.488   8.465   2.969  1.00  0.00           C  
ATOM     98  C   ALA A   8      -0.802   7.577   1.769  1.00  0.00           C  
ATOM     99  O   ALA A   8      -1.906   7.676   1.258  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.251   9.721   2.504  1.00  0.00           C  
ATOM    101  OXT ALA A   8       0.065   6.813   1.379  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.987   7.095   3.636  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.413   8.762   3.438  1.00  0.00           H  
ATOM    104  HB1 ALA A   8       0.312  10.424   3.322  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -0.284  10.170   1.681  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       1.248   9.454   2.185  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       14                                                                  
ATOM      1  N   PHE A   1      10.584   1.323   6.511  1.00  0.00           N1+
ATOM      2  CA  PHE A   1       9.607   2.206   5.810  1.00  0.00           C  
ATOM      3  C   PHE A   1       8.608   2.759   6.821  1.00  0.00           C  
ATOM      4  O   PHE A   1       7.612   2.110   7.143  1.00  0.00           O  
ATOM      5  CB  PHE A   1       8.870   1.398   4.740  1.00  0.00           C  
ATOM      6  CG  PHE A   1       9.763   0.290   4.235  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      11.028   0.594   3.714  1.00  0.00           C  
ATOM      8  CD2 PHE A   1       9.330  -1.040   4.288  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      11.857  -0.432   3.246  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      10.160  -2.067   3.819  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      11.423  -1.763   3.298  1.00  0.00           C  
ATOM     12  H1  PHE A   1      10.882   0.559   5.872  1.00  0.00           H  
ATOM     13  H2  PHE A   1      10.136   0.913   7.357  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.416   1.880   6.792  1.00  0.00           H  
ATOM     15  HA  PHE A   1      10.136   3.025   5.343  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       7.973   0.972   5.165  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       8.605   2.047   3.919  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      11.362   1.619   3.673  1.00  0.00           H  
ATOM     19  HD2 PHE A   1       8.355  -1.276   4.690  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      12.831  -0.198   2.843  1.00  0.00           H  
ATOM     21  HE2 PHE A   1       9.826  -3.094   3.860  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      12.064  -2.554   2.937  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.874   3.974   7.328  1.00  0.00           N  
HETATM   24  CA  DHA A   2       8.009   4.546   8.254  1.00  0.00           C  
HETATM   25  CB  DHA A   2       8.110   4.618   9.577  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.849   5.157   7.599  1.00  0.00           C  
HETATM   27  O   DHA A   2       6.023   4.508   6.956  1.00  0.00           O  
HETATM   28  H   DHA A   2       9.664   4.497   7.077  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.944   4.196  10.065  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.339   5.102  10.160  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.752   6.472   7.786  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.635   7.174   7.213  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.343   6.550   7.744  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.694   7.128   5.683  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.069   7.941   5.003  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.409   6.969   8.317  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.679   8.192   7.532  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.538   6.105   8.709  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       4.007   5.787   7.069  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.491   6.203   5.146  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.651   6.098   3.695  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.745   5.025   3.075  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.632   4.947   1.852  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.110   5.787   3.361  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.827   7.077   2.957  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       8.364   7.504   1.562  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       8.495   8.182   3.964  1.00  0.00           C  
ATOM     48  H   LEU A   4       7.004   5.608   5.734  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.398   7.049   3.254  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.595   5.362   4.228  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.152   5.084   2.543  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.894   6.908   2.946  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       7.454   6.981   1.309  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       9.130   7.264   0.839  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       8.182   8.569   1.553  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       8.156   7.738   4.888  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       7.716   8.813   3.562  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       9.378   8.775   4.151  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.088   4.189   3.903  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.256   3.209   3.365  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.372   2.533   2.252  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.097   2.973   4.194  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.060   2.060   4.997  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.157   4.231   4.876  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.193   2.702   1.644  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.631   1.800   1.973  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.093   3.814   3.949  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.830   3.714   4.677  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.379   5.097   5.110  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.776   5.487   4.943  1.00  0.00           O  
ATOM     71  CB  LEU A   6       0.971   2.830   5.919  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.100   3.360   6.831  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.478   4.055   8.044  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.010   2.216   7.323  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.188   4.501   3.253  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.094   3.288   4.022  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.041   2.850   6.466  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.182   1.826   5.608  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.695   4.074   6.284  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.107   3.312   8.733  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       0.662   4.685   7.720  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.225   4.661   8.536  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       4.008   2.363   6.929  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       2.630   1.265   6.987  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       3.050   2.226   8.398  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.329   5.822   5.658  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.123   7.172   6.132  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.225   7.958   5.185  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.270   9.031   5.530  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.496   7.813   6.214  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.068   7.826   7.926  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.220   5.434   5.741  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.681   7.153   7.111  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.170   7.215   5.622  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.464   8.820   5.829  1.00  0.00           H  
ATOM     96  N   ALA A   8       0.022   7.418   3.992  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -0.813   8.080   3.003  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.547   7.053   2.146  1.00  0.00           C  
ATOM     99  O   ALA A   8      -2.756   6.954   2.280  1.00  0.00           O  
ATOM    100  CB  ALA A   8       0.057   8.969   2.118  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -0.889   6.381   1.368  1.00  0.00           O  
ATOM    102  H   ALA A   8       0.444   6.563   3.771  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -1.538   8.697   3.511  1.00  0.00           H  
ATOM    104  HB1 ALA A   8       0.668   9.607   2.742  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -0.573   9.578   1.488  1.00  0.00           H  
ATOM    106  HB3 ALA A   8       0.694   8.351   1.504  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
MODEL       15                                                                  
ATOM      1  N   PHE A   1      11.674   1.562   7.663  1.00  0.00           N1+
ATOM      2  CA  PHE A   1      10.773   2.528   6.970  1.00  0.00           C  
ATOM      3  C   PHE A   1       9.735   3.051   7.956  1.00  0.00           C  
ATOM      4  O   PHE A   1       9.640   2.571   9.085  1.00  0.00           O  
ATOM      5  CB  PHE A   1      10.080   1.827   5.799  1.00  0.00           C  
ATOM      6  CG  PHE A   1      10.957   1.919   4.573  1.00  0.00           C  
ATOM      7  CD1 PHE A   1      12.314   1.585   4.659  1.00  0.00           C  
ATOM      8  CD2 PHE A   1      10.415   2.338   3.351  1.00  0.00           C  
ATOM      9  CE1 PHE A   1      13.129   1.669   3.524  1.00  0.00           C  
ATOM     10  CE2 PHE A   1      11.232   2.422   2.216  1.00  0.00           C  
ATOM     11  CZ  PHE A   1      12.588   2.087   2.302  1.00  0.00           C  
ATOM     12  H1  PHE A   1      12.654   1.722   7.356  1.00  0.00           H  
ATOM     13  H2  PHE A   1      11.389   0.590   7.424  1.00  0.00           H  
ATOM     14  H3  PHE A   1      11.608   1.700   8.691  1.00  0.00           H  
ATOM     15  HA  PHE A   1      11.358   3.355   6.596  1.00  0.00           H  
ATOM     16  HB2 PHE A   1       9.914   0.789   6.047  1.00  0.00           H  
ATOM     17  HB3 PHE A   1       9.133   2.306   5.600  1.00  0.00           H  
ATOM     18  HD1 PHE A   1      12.732   1.262   5.601  1.00  0.00           H  
ATOM     19  HD2 PHE A   1       9.369   2.597   3.284  1.00  0.00           H  
ATOM     20  HE1 PHE A   1      14.176   1.412   3.591  1.00  0.00           H  
ATOM     21  HE2 PHE A   1      10.815   2.744   1.273  1.00  0.00           H  
ATOM     22  HZ  PHE A   1      13.217   2.152   1.426  1.00  0.00           H  
HETATM   23  N   DHA A   2       8.945   4.053   7.528  1.00  0.00           N  
HETATM   24  CA  DHA A   2       7.980   4.581   8.377  1.00  0.00           C  
HETATM   25  CB  DHA A   2       7.963   4.634   9.705  1.00  0.00           C  
HETATM   26  C   DHA A   2       6.855   5.163   7.638  1.00  0.00           C  
HETATM   27  O   DHA A   2       6.096   4.496   6.935  1.00  0.00           O  
HETATM   28  H   DHA A   2       9.014   4.443   6.632  1.00  0.00           H  
HETATM   29  HB1 DHA A   2       8.765   4.234  10.258  1.00  0.00           H  
HETATM   30  HB2 DHA A   2       7.128   5.081  10.224  1.00  0.00           H  
HETATM   31  N   DAL A   3       6.701   6.472   7.836  1.00  0.00           N  
HETATM   32  CA  DAL A   3       5.600   7.153   7.205  1.00  0.00           C  
HETATM   33  CB  DAL A   3       4.300   6.523   7.699  1.00  0.00           C  
HETATM   34  C   DAL A   3       5.705   7.100   5.678  1.00  0.00           C  
HETATM   35  O   DAL A   3       5.105   7.916   4.981  1.00  0.00           O  
HETATM   36  H   DAL A   3       7.299   6.979   8.426  1.00  0.00           H  
HETATM   37  HA  DAL A   3       5.620   8.174   7.516  1.00  0.00           H  
HETATM   38  HB1 DAL A   3       4.484   6.032   8.644  1.00  0.00           H  
HETATM   39  HB2 DAL A   3       3.965   5.796   6.988  1.00  0.00           H  
ATOM     40  N   LEU A   4       6.504   6.171   5.161  1.00  0.00           N  
ATOM     41  CA  LEU A   4       6.692   6.074   3.713  1.00  0.00           C  
ATOM     42  C   LEU A   4       5.753   5.047   3.066  1.00  0.00           C  
ATOM     43  O   LEU A   4       5.596   5.034   1.847  1.00  0.00           O  
ATOM     44  CB  LEU A   4       8.159   5.716   3.419  1.00  0.00           C  
ATOM     45  CG  LEU A   4       8.462   5.758   1.909  1.00  0.00           C  
ATOM     46  CD1 LEU A   4       7.980   4.468   1.237  1.00  0.00           C  
ATOM     47  CD2 LEU A   4       7.779   6.964   1.255  1.00  0.00           C  
ATOM     48  H   LEU A   4       6.998   5.568   5.758  1.00  0.00           H  
ATOM     49  HA  LEU A   4       6.479   7.038   3.287  1.00  0.00           H  
ATOM     50  HB2 LEU A   4       8.801   6.423   3.925  1.00  0.00           H  
ATOM     51  HB3 LEU A   4       8.363   4.724   3.794  1.00  0.00           H  
ATOM     52  HG  LEU A   4       9.532   5.842   1.772  1.00  0.00           H  
ATOM     53 HD11 LEU A   4       7.260   4.708   0.470  1.00  0.00           H  
ATOM     54 HD12 LEU A   4       7.525   3.824   1.973  1.00  0.00           H  
ATOM     55 HD13 LEU A   4       8.823   3.961   0.791  1.00  0.00           H  
ATOM     56 HD21 LEU A   4       6.724   6.768   1.142  1.00  0.00           H  
ATOM     57 HD22 LEU A   4       8.216   7.137   0.283  1.00  0.00           H  
ATOM     58 HD23 LEU A   4       7.921   7.838   1.872  1.00  0.00           H  
HETATM   59  N   DHA A   5       5.108   4.180   3.868  1.00  0.00           N  
HETATM   60  CA  DHA A   5       4.242   3.243   3.303  1.00  0.00           C  
HETATM   61  CB  DHA A   5       4.307   2.633   2.146  1.00  0.00           C  
HETATM   62  C   DHA A   5       3.112   2.977   4.162  1.00  0.00           C  
HETATM   63  O   DHA A   5       3.106   2.043   4.943  1.00  0.00           O  
HETATM   64  H   DHA A   5       5.203   4.173   4.842  1.00  0.00           H  
HETATM   65  HB1 DHA A   5       5.108   2.828   1.515  1.00  0.00           H  
HETATM   66  HB2 DHA A   5       3.544   1.928   1.852  1.00  0.00           H  
ATOM     67  N   LEU A   6       2.099   3.821   3.976  1.00  0.00           N  
ATOM     68  CA  LEU A   6       0.867   3.693   4.751  1.00  0.00           C  
ATOM     69  C   LEU A   6       0.379   5.066   5.179  1.00  0.00           C  
ATOM     70  O   LEU A   6      -0.805   5.392   5.090  1.00  0.00           O  
ATOM     71  CB  LEU A   6       1.099   2.848   6.004  1.00  0.00           C  
ATOM     72  CG  LEU A   6       2.267   3.435   6.822  1.00  0.00           C  
ATOM     73  CD1 LEU A   6       1.708   4.135   8.061  1.00  0.00           C  
ATOM     74  CD2 LEU A   6       3.257   2.341   7.267  1.00  0.00           C  
ATOM     75  H   LEU A   6       2.169   4.531   3.297  1.00  0.00           H  
ATOM     76  HA  LEU A   6       0.122   3.222   4.138  1.00  0.00           H  
ATOM     77  HB2 LEU A   6       0.203   2.864   6.606  1.00  0.00           H  
ATOM     78  HB3 LEU A   6       1.317   1.841   5.710  1.00  0.00           H  
ATOM     79  HG  LEU A   6       2.789   4.158   6.219  1.00  0.00           H  
ATOM     80 HD11 LEU A   6       1.051   3.460   8.590  1.00  0.00           H  
ATOM     81 HD12 LEU A   6       1.156   5.013   7.761  1.00  0.00           H  
ATOM     82 HD13 LEU A   6       2.522   4.426   8.709  1.00  0.00           H  
ATOM     83 HD21 LEU A   6       3.411   2.407   8.331  1.00  0.00           H  
ATOM     84 HD22 LEU A   6       4.203   2.489   6.762  1.00  0.00           H  
ATOM     85 HD23 LEU A   6       2.870   1.364   7.019  1.00  0.00           H  
ATOM     86  N   CYS A   7       1.329   5.852   5.645  1.00  0.00           N  
ATOM     87  CA  CYS A   7       1.094   7.204   6.110  1.00  0.00           C  
ATOM     88  C   CYS A   7       0.199   7.996   5.155  1.00  0.00           C  
ATOM     89  O   CYS A   7      -0.068   9.175   5.388  1.00  0.00           O  
ATOM     90  CB  CYS A   7       2.458   7.865   6.220  1.00  0.00           C  
ATOM     91  SG  CYS A   7       3.036   7.804   7.929  1.00  0.00           S  
ATOM     92  H   CYS A   7       2.239   5.508   5.680  1.00  0.00           H  
ATOM     93  HA  CYS A   7       0.638   7.175   7.084  1.00  0.00           H  
ATOM     94  HB2 CYS A   7       3.143   7.312   5.598  1.00  0.00           H  
ATOM     95  HB3 CYS A   7       2.405   8.890   5.888  1.00  0.00           H  
ATOM     96  N   ALA A   8      -0.262   7.349   4.089  1.00  0.00           N  
ATOM     97  CA  ALA A   8      -1.127   8.009   3.118  1.00  0.00           C  
ATOM     98  C   ALA A   8      -1.890   9.158   3.770  1.00  0.00           C  
ATOM     99  O   ALA A   8      -1.689  10.288   3.354  1.00  0.00           O  
ATOM    100  CB  ALA A   8      -2.123   7.001   2.550  1.00  0.00           C  
ATOM    101  OXT ALA A   8      -2.663   8.891   4.674  1.00  0.00           O  
ATOM    102  H   ALA A   8      -0.018   6.413   3.951  1.00  0.00           H  
ATOM    103  HA  ALA A   8      -0.523   8.398   2.312  1.00  0.00           H  
ATOM    104  HB1 ALA A   8      -1.624   6.368   1.831  1.00  0.00           H  
ATOM    105  HB2 ALA A   8      -2.932   7.528   2.068  1.00  0.00           H  
ATOM    106  HB3 ALA A   8      -2.515   6.394   3.352  1.00  0.00           H  
TER     107      ALA A   8                                                      
ENDMDL                                                                          
CONECT    3   23                                                                
CONECT   23    3   24   28                                                      
CONECT   24   23   25   26                                                      
CONECT   25   24   29   30                                                      
CONECT   26   24   27   31                                                      
CONECT   27   26                                                                
CONECT   28   23                                                                
CONECT   29   25                                                                
CONECT   30   25                                                                
CONECT   31   26   32   36                                                      
CONECT   32   31   33   34   37                                                 
CONECT   33   32   38   39   91                                                 
CONECT   34   32   35   40                                                      
CONECT   35   34                                                                
CONECT   36   31                                                                
CONECT   37   32                                                                
CONECT   38   33                                                                
CONECT   39   33                                                                
CONECT   40   34                                                                
CONECT   42   59                                                                
CONECT   59   42   60   64                                                      
CONECT   60   59   61   62                                                      
CONECT   61   60   65   66                                                      
CONECT   62   60   63   67                                                      
CONECT   63   62                                                                
CONECT   64   59                                                                
CONECT   65   61                                                                
CONECT   66   61                                                                
CONECT   67   62                                                                
CONECT   91   33                                                                
MASTER      155    0    3    0    0    0    0    6   54    1   30    1          
END