HEADER    ANTIBIOTIC                              09-MAR-19   6QYS              
TITLE     SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND   
TITLE    2 RING B - NISIN RING B                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DBB-PRO-GLY-CYS-LYS;                                       
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   4   15-NOV-23 6QYS    1       LINK   ATOM                              
REVDAT   3   14-JUN-23 6QYS    1       REMARK                                   
REVDAT   2   02-OCT-19 6QYS    1       JRNL                                     
REVDAT   1   11-SEP-19 6QYS    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 6QYS 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_1292101153.                                   
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                : 10.5 MG/ML NISIN RING B, 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   : 150                                
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: 620 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 CYS A   4     -104.94    -19.27                                   
REMARK 500  2 CYS A   4     -104.72    -18.95                                   
REMARK 500  3 CYS A   4      -97.64    -17.65                                   
REMARK 500  4 CYS A   4     -103.40    -18.17                                   
REMARK 500  5 CYS A   4      -94.83    -18.19                                   
REMARK 500  6 CYS A   4      -98.03    -18.47                                   
REMARK 500  7 CYS A   4      -55.37    -18.69                                   
REMARK 500  8 CYS A   4     -101.33    -18.14                                   
REMARK 500  9 CYS A   4      -96.10    -18.13                                   
REMARK 500 10 CYS A   4      -79.03    -17.66                                   
REMARK 500 11 CYS A   4     -100.70    -18.07                                   
REMARK 500 12 CYS A   4      -97.66    -17.67                                   
REMARK 500 13 CYS A   4      -92.52    -18.46                                   
REMARK 500 14 CYS A   4     -104.05    -18.46                                   
REMARK 500 15 CYS A   4     -101.93    -18.76                                   
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: 6QM1   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC NISIN RING B (LAN8,11) ANALOGUE            
REMARK 900 RELATED ID: 6QYR   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC MUTACIN I RING B, MINOR CONFORMER          
REMARK 900 RELATED ID: 34370   RELATED DB: BMRB                                 
REMARK 900 SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND  
REMARK 900 RING B - NISIN RING B                                                
DBREF  6QYS A    1     5  PDB    6QYS     6QYS             1      5             
SEQRES   1 A    5  DBB PRO GLY CYS LYS                                          
HET    DBB  A   1      14                                                       
HETNAM     DBB D-ALPHA-AMINOBUTYRIC ACID                                        
FORMUL   1  DBB    C4 H9 N O2                                                   
LINK         C   DBB A   1                 N   PRO A   2     1555   1555  1.32  
LINK         CB  DBB A   1                 SG  CYS A   4     1555   1555  1.83  
CISPEP   1 DBB A    1    PRO A    2          1         1.29                     
CISPEP   2 DBB A    1    PRO A    2          2         0.80                     
CISPEP   3 DBB A    1    PRO A    2          3         0.89                     
CISPEP   4 DBB A    1    PRO A    2          4         0.93                     
CISPEP   5 DBB A    1    PRO A    2          5         0.89                     
CISPEP   6 DBB A    1    PRO A    2          6         1.35                     
CISPEP   7 DBB A    1    PRO A    2          7         1.23                     
CISPEP   8 DBB A    1    PRO A    2          8         0.92                     
CISPEP   9 DBB A    1    PRO A    2          9         0.83                     
CISPEP  10 DBB A    1    PRO A    2         10         1.18                     
CISPEP  11 DBB A    1    PRO A    2         11         0.92                     
CISPEP  12 DBB A    1    PRO A    2         12         0.95                     
CISPEP  13 DBB A    1    PRO A    2         13         1.23                     
CISPEP  14 DBB A    1    PRO A    2         14         0.89                     
CISPEP  15 DBB A    1    PRO A    2         15         1.51                     
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                                                                  
HETATM    1  N   DBB A   1       8.013   4.174   4.135  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.936   3.883   3.163  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.374   4.264   1.752  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.857   3.412   1.007  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.593   2.395   3.203  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.355   2.150   2.330  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.934   3.971   3.699  1.00  0.00           H  
HETATM    8  H   DBB A   1       7.966   5.175   4.410  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.084   4.445   3.415  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.433   1.842   2.797  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.126   3.046   1.767  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.516   1.894   2.958  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.553   1.340   1.646  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       7.884   3.580   4.977  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.200   5.506   1.350  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.618   6.607   2.195  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.164   6.347   2.594  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.711   6.790   3.649  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.723   7.858   1.308  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.641   7.497   0.186  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.544   5.985   0.012  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.220   6.749   3.078  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.748   8.124   0.923  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.138   8.681   1.870  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.332   7.998  -0.721  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.655   7.768   0.433  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.763   5.732  -0.693  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.490   5.571  -0.299  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.456   5.600   1.761  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.075   5.249   2.042  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.952   4.710   3.457  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.012   5.032   4.186  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.874   5.261   0.952  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.443   6.117   1.922  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.775   4.483   1.355  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.915   3.875   3.821  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.951   3.258   5.137  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.082   4.025   6.138  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.856   3.927   6.105  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.398   3.213   5.643  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.282   1.801   4.903  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.614   3.653   3.178  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.584   2.252   5.054  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.901   4.132   5.401  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.387   3.096   6.716  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.722   4.779   7.031  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.999   5.544   8.035  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.357   6.781   7.414  1.00  0.00           C  
ATOM     49  O   LYS A   5       2.931   7.313   6.477  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.968   5.963   9.142  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.391   5.548   8.754  1.00  0.00           C  
ATOM     52  CD  LYS A   5       6.368   5.984   9.847  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.661   5.169   9.742  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.555   3.952  10.598  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.302   7.175   7.882  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.695   4.817   7.019  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.226   4.923   8.464  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.926   7.034   9.272  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.694   5.475  10.065  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.433   4.473   8.638  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.662   6.021   7.822  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.594   7.034   9.728  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.919   5.819  10.815  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.820   4.874   8.716  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       8.492   5.772  10.078  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       6.584   3.581  10.554  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.791   4.198  11.580  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       8.215   3.227  10.254  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  N   DBB A   1       8.062   4.179   4.039  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.943   3.877   3.121  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.320   4.262   1.692  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.764   3.412   0.918  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.613   2.384   3.175  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.377   2.120   2.306  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.702   4.217   5.015  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.783   3.438   3.959  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.097   4.433   3.412  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.455   1.836   2.772  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.158   2.998   1.712  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.533   1.891   2.936  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.573   1.286   1.648  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.477   5.096   3.783  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.145   5.511   1.311  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.611   6.601   2.196  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.164   6.349   2.607  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.719   6.789   3.667  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.715   7.871   1.340  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.580   7.516   0.173  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.439   6.011  -0.030  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.232   6.706   3.071  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.734   8.171   1.001  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.173   8.666   1.908  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.246   8.046  -0.709  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.609   7.758   0.387  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.622   5.792  -0.705  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.361   5.584  -0.392  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.453   5.610   1.771  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.078   5.259   2.052  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.962   4.710   3.461  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.028   5.033   4.194  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.871   5.274   0.960  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.447   6.129   1.941  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.774   4.498   1.359  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.927   3.868   3.816  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.963   3.243   5.129  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.087   4.011   6.129  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.861   3.908   6.077  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.411   3.189   5.636  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.304   1.790   4.878  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.623   3.645   3.166  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.592   2.239   5.041  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.916   4.112   5.412  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.398   3.055   6.709  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.717   4.773   7.029  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.993   5.555   8.032  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.497   5.259   8.005  1.00  0.00           C  
ATOM     49  O   LYS A   5       1.117   4.181   8.431  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.222   7.046   7.784  1.00  0.00           C  
ATOM     51  CG  LYS A   5       4.715   7.304   7.569  1.00  0.00           C  
ATOM     52  CD  LYS A   5       4.908   8.658   6.885  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.391   9.037   6.910  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       6.609  10.130   7.899  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       0.752   6.115   7.557  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.692   4.813   7.021  1.00  0.00           H  
ATOM     57  HA  LYS A   5       3.378   5.307   9.010  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       2.673   7.353   6.905  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       2.880   7.611   8.638  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.219   7.307   8.525  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.130   6.526   6.946  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       4.569   8.595   5.861  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       4.338   9.411   7.408  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       6.978   8.175   7.191  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       6.693   9.373   5.929  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       6.042   9.945   8.751  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       6.321  11.038   7.479  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.615  10.170   8.157  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  N   DBB A   1       8.085   4.205   3.914  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.924   3.878   3.060  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.237   4.224   1.608  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.607   3.347   0.827  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.598   2.385   3.167  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.324   2.097   2.362  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.820   4.966   4.572  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.368   3.362   4.448  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.092   4.448   3.375  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.422   1.828   2.737  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.074   2.960   1.761  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.512   1.879   3.037  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.493   1.249   1.716  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.873   4.519   3.316  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.085   5.469   1.220  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.640   6.587   2.116  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.185   6.429   2.549  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.743   7.032   3.527  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.818   7.853   1.265  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.573   7.435   0.042  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.320   5.943  -0.141  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.279   6.643   2.982  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.853   8.253   0.989  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.385   8.591   1.812  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.216   7.984  -0.819  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.629   7.609   0.181  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.445   5.777  -0.757  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.184   5.452  -0.561  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.462   5.586   1.826  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.074   5.308   2.139  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.972   4.728   3.535  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.045   5.028   4.287  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.879   5.125   1.079  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.493   6.218   2.074  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.705   4.587   1.436  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.944   3.884   3.857  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.004   3.228   5.152  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.116   3.946   6.175  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.908   3.715   6.216  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.457   3.215   5.644  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.375   1.828   4.896  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.630   3.679   3.191  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.666   2.215   5.041  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.937   4.146   5.399  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.459   3.096   6.719  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.703   4.813   7.000  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.927   5.536   8.002  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.688   6.163   7.371  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.666   6.207   8.037  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.788   6.628   8.642  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.147   6.682   7.942  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.891   7.951   8.364  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.068   8.191   7.417  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       6.567   8.785   6.145  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.778   6.589   6.232  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.664   4.971   6.939  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.616   4.843   8.771  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.293   7.582   8.545  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.935   6.403   9.689  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.729   5.814   8.218  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.000   6.692   6.873  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       5.216   8.793   8.322  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       6.260   7.834   9.371  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.769   8.870   7.880  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       7.558   7.252   7.208  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       7.211   8.532   5.368  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       6.525   9.820   6.239  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       5.618   8.415   5.939  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  N   DBB A   1       8.036   4.201   4.053  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.932   3.877   3.126  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.321   4.251   1.699  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.765   3.394   0.934  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.617   2.382   3.190  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.381   2.101   2.327  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.931   3.637   4.920  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.943   3.984   3.599  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.077   4.428   3.401  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.464   1.839   2.786  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.158   2.970   1.723  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.539   1.878   2.962  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.580   1.259   1.681  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       7.999   5.212   4.289  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.154   5.497   1.307  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.620   6.602   2.175  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.171   6.365   2.593  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.728   6.838   3.639  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.727   7.859   1.298  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.603   7.485   0.146  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.459   5.980  -0.039  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.242   6.722   3.048  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.747   8.148   0.944  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.177   8.665   1.856  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.280   8.005  -0.746  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.630   7.728   0.366  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.647   5.754  -0.716  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.381   5.545  -0.389  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.457   5.604   1.780  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.077   5.269   2.072  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.966   4.714   3.479  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.038   5.037   4.220  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.871   5.243   0.979  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.457   6.148   1.974  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.758   4.517   1.377  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.929   3.865   3.825  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.969   3.235   5.134  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.088   3.993   6.135  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.865   3.863   6.095  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.418   3.194   5.643  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.320   1.794   4.897  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.620   3.641   3.168  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.606   2.229   5.042  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.916   4.117   5.411  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.404   3.068   6.716  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.711   4.778   7.022  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.978   5.552   8.027  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.475   5.307   7.943  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.758   6.244   7.634  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.259   7.043   7.837  1.00  0.00           C  
ATOM     51  CG  LYS A   5       4.767   7.292   7.907  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.386   7.113   6.518  1.00  0.00           C  
ATOM     53  CE  LYS A   5       5.737   8.484   5.936  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       6.534   9.255   6.931  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.063   4.184   8.188  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.683   4.840   7.003  1.00  0.00           H  
ATOM     57  HA  LYS A   5       3.322   5.260   9.007  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       2.884   7.360   6.875  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       2.767   7.603   8.617  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       4.949   8.299   8.255  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.217   6.588   8.592  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.283   6.516   6.599  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       4.680   6.618   5.869  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       6.315   8.355   5.034  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       4.828   9.021   5.708  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       5.903   9.867   7.484  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.237   9.840   6.432  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.022   8.597   7.570  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  N   DBB A   1       8.086   4.185   3.901  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.918   3.874   3.049  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.224   4.240   1.598  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.589   3.374   0.802  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.587   2.382   3.138  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.310   2.106   2.335  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.787   4.820   4.670  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.463   3.306   4.300  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.090   4.444   3.375  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.408   1.828   2.699  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.057   2.978   1.747  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.500   1.877   3.009  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.478   1.268   1.674  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.815   4.650   3.328  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.069   5.490   1.230  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.628   6.590   2.148  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.168   6.437   2.561  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.710   7.058   3.519  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.832   7.876   1.332  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.559   7.476   0.086  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.293   5.988  -0.123  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.258   6.616   3.022  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.874   8.312   1.083  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.427   8.581   1.893  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.187   8.044  -0.756  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.618   7.642   0.206  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.411   5.839  -0.733  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.149   5.501  -0.561  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.457   5.578   1.845  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.067   5.305   2.146  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.963   4.716   3.539  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.036   5.012   4.293  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.885   5.101   1.114  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.490   6.215   2.085  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.700   4.587   1.439  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.938   3.874   3.854  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.002   3.210   5.144  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.122   3.927   6.176  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.922   3.662   6.256  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.458   3.187   5.630  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.368   1.807   4.861  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.624   3.676   3.187  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.659   2.200   5.030  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.939   4.120   5.394  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.463   3.056   6.702  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.709   4.827   6.962  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.946   5.553   7.971  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.956   6.508   7.312  1.00  0.00           C  
ATOM     49  O   LYS A   5       1.969   6.598   6.095  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.895   6.342   8.874  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.117   5.484   9.206  1.00  0.00           C  
ATOM     52  CD  LYS A   5       6.343   6.035   8.476  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.576   5.215   8.859  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.446   4.756  10.272  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.200   7.136   8.035  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.662   5.007   6.867  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.401   4.843   8.574  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       4.212   7.241   8.365  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.384   6.607   9.788  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.292   5.506  10.273  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       4.940   4.467   8.891  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.184   5.970   7.409  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       6.497   7.066   8.755  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.655   4.357   8.208  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       8.460   5.827   8.759  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       6.805   3.938  10.314  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.060   5.529  10.853  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       8.380   4.481  10.635  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  N   DBB A   1       8.099   4.201   3.927  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.938   3.882   3.073  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.243   4.246   1.625  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.617   3.382   0.831  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.614   2.389   3.158  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.354   2.113   2.330  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.825   4.933   4.615  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.404   3.347   4.429  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.105   4.444   3.397  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.446   1.839   2.734  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.534   1.273   1.675  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       5.115   2.984   1.734  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       4.531   1.888   2.988  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.876   4.552   3.334  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.070   5.491   1.252  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.618   6.585   2.170  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.163   6.412   2.585  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.713   6.975   3.582  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.808   7.860   1.349  1.00  0.00           C  
ATOM     20  CG  PRO A   2       6.797   7.428  -0.081  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.275   5.975  -0.116  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.250   6.622   3.042  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.997   8.550   1.540  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.754   8.319   1.587  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       5.792   7.498  -0.477  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       7.467   8.043  -0.658  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.680   5.397  -0.810  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.319   5.922  -0.373  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.451   5.592   1.826  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.066   5.297   2.123  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.963   4.716   3.518  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.035   5.013   4.269  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.876   5.158   1.068  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.472   6.197   2.051  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.715   4.568   1.419  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.941   3.877   3.842  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.001   3.223   5.138  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.120   3.954   6.158  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.909   3.742   6.197  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.453   3.196   5.634  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.365   1.812   4.876  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.632   3.676   3.178  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.651   2.213   5.032  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.939   4.127   5.401  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.450   3.066   6.707  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.722   4.813   6.980  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.959   5.553   7.978  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.023   4.619   8.739  1.00  0.00           C  
ATOM     49  O   LYS A   5       1.349   5.091   9.639  1.00  0.00           O  
ATOM     50  CB  LYS A   5       2.143   6.655   7.299  1.00  0.00           C  
ATOM     51  CG  LYS A   5       3.042   7.443   6.342  1.00  0.00           C  
ATOM     52  CD  LYS A   5       3.840   8.484   7.128  1.00  0.00           C  
ATOM     53  CE  LYS A   5       5.193   8.710   6.450  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       5.579  10.144   6.572  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.996   3.444   8.411  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.684   4.955   6.916  1.00  0.00           H  
ATOM     57  HA  LYS A   5       3.646   6.008   8.677  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       1.330   6.208   6.744  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       1.746   7.323   8.047  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       3.723   6.765   5.848  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       2.432   7.942   5.604  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       3.290   9.414   7.154  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       3.999   8.131   8.135  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       5.942   8.094   6.926  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       5.120   8.444   5.405  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       4.754  10.701   6.870  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       5.918  10.491   5.652  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       6.333  10.241   7.279  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  N   DBB A   1       8.084   4.042   3.623  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.830   3.828   2.865  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.027   4.261   1.416  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.267   3.425   0.545  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.451   2.342   2.876  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.103   2.173   2.163  1.00  0.00           C  
HETATM    7  H2  DBB A   1       7.899   4.698   4.410  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.421   3.135   3.997  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.050   4.410   3.303  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.210   1.802   2.324  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       4.825   3.106   1.689  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.348   1.890   2.876  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.192   1.405   1.409  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.801   4.448   2.992  1.00  0.00           H  
ATOM     15  N   PRO A   2       6.909   5.531   1.131  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.619   6.580   2.148  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.168   6.537   2.608  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.747   7.320   3.458  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.929   7.891   1.422  1.00  0.00           C  
ATOM     20  CG  PRO A   2       6.783   7.593  -0.035  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.025   6.091  -0.218  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.280   6.472   2.992  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       6.226   8.656   1.721  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.939   8.207   1.634  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       5.786   7.851  -0.365  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       7.515   8.147  -0.600  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.270   5.664  -0.866  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.011   5.908  -0.611  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.422   5.588   2.057  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.033   5.407   2.428  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.983   4.706   3.764  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.108   4.952   4.596  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.823   4.977   1.409  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.538   6.366   2.490  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.556   4.791   1.690  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.950   3.826   3.940  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.083   3.049   5.146  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.307   3.670   6.306  1.00  0.00           C  
ATOM     39  O   CYS A   4       2.468   3.011   6.918  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.568   2.949   5.514  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.369   1.625   4.558  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.589   3.680   3.218  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.708   2.075   4.958  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       6.057   3.887   5.320  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.651   2.722   6.567  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.589   4.929   6.601  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.909   5.622   7.688  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.394   5.521   7.528  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.887   4.412   7.555  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.321   7.093   7.697  1.00  0.00           C  
ATOM     51  CG  LYS A   5       4.668   7.241   8.408  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.544   8.234   7.643  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.351   7.487   6.580  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.626   6.994   7.176  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       0.764   6.555   7.383  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.266   5.403   6.084  1.00  0.00           H  
ATOM     57  HA  LYS A   5       3.195   5.173   8.626  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.408   7.448   6.680  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       2.575   7.668   8.218  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       4.505   7.601   9.413  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.162   6.281   8.445  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       4.917   8.974   7.166  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       6.220   8.722   8.329  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       5.777   6.647   6.217  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       6.570   8.154   5.760  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.085   7.765   7.702  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       8.259   6.667   6.417  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.426   6.207   7.824  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  N   DBB A   1       8.071   4.195   3.962  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.927   3.875   3.081  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.267   4.236   1.638  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.664   3.370   0.859  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.600   2.382   3.169  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.340   2.102   2.340  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.903   4.408   3.378  1.00  0.00           H  
HETATM    8  H   DBB A   1       7.831   5.022   4.545  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.089   4.440   3.384  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.432   1.829   2.748  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.103   2.970   1.740  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.515   1.882   2.999  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.518   1.258   1.692  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.269   3.384   4.576  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.108   5.482   1.254  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.630   6.591   2.146  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.176   6.400   2.570  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.731   6.946   3.580  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.783   7.860   1.295  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.582   7.463   0.093  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.366   5.966  -0.100  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.262   6.665   3.016  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.811   8.224   0.994  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.311   8.620   1.850  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.234   8.006  -0.776  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.628   7.661   0.261  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.512   5.782  -0.739  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.252   5.498  -0.499  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.459   5.593   1.804  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.074   5.290   2.106  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.968   4.723   3.508  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.041   5.035   4.255  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.876   5.175   1.033  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.475   6.185   2.024  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.727   4.552   1.408  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.937   3.878   3.841  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.990   3.237   5.145  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.110   3.982   6.157  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.889   3.819   6.153  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.443   3.208   5.640  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.346   1.813   4.889  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.625   3.664   3.180  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.636   2.227   5.047  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.932   4.135   5.399  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.440   3.086   6.713  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.717   4.796   7.019  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.951   5.540   8.012  1.00  0.00           C  
ATOM     48  C   LYS A   5       3.015   7.037   7.726  1.00  0.00           C  
ATOM     49  O   LYS A   5       2.720   7.418   6.605  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.501   5.263   9.413  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.025   5.415   9.406  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.677   4.071   9.741  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.199   4.208   9.666  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.810   3.631  10.896  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       3.356   7.780   8.631  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.686   4.899   6.991  1.00  0.00           H  
ATOM     57  HA  LYS A   5       1.922   5.218   7.973  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.073   5.966  10.113  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.242   4.258   9.708  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.351   5.739   8.428  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.318   6.147  10.143  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       5.390   3.772  10.739  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.349   3.325   9.034  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.565   3.679   8.799  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       7.463   5.252   9.588  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.668   3.103  10.642  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.130   2.990  11.353  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       8.060   4.397  11.552  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  N   DBB A   1       8.069   4.187   3.938  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.918   3.872   3.065  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.247   4.240   1.621  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.631   3.375   0.834  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.589   2.379   3.146  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.322   2.106   2.327  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.563   5.021   3.564  1.00  0.00           H  
HETATM    8  H   DBB A   1       7.724   4.386   4.899  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.083   4.437   3.378  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.417   1.829   2.714  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.077   2.981   1.739  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.506   1.876   2.992  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.497   1.271   1.667  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.714   3.376   3.963  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.093   5.489   1.246  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.629   6.594   2.149  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.173   6.424   2.571  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.722   7.015   3.552  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.803   7.869   1.310  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.580   7.470   0.094  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.342   5.978  -0.107  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.261   6.650   3.019  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.835   8.260   1.024  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.353   8.610   1.869  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.228   8.024  -0.766  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.631   7.652   0.249  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.479   5.810  -0.738  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.216   5.501  -0.519  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.457   5.585   1.836  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.069   5.300   2.140  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.966   4.716   3.535  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.041   5.019   4.289  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.878   5.133   1.085  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.484   6.206   2.075  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.706   4.578   1.435  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.936   3.869   3.853  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.995   3.211   5.145  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.119   3.937   6.172  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.913   3.700   6.234  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.451   3.180   5.633  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.354   1.795   4.863  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.621   3.665   3.187  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.646   2.204   5.036  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.937   4.109   5.397  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.455   3.048   6.705  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.714   4.819   6.973  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.950   5.552   7.975  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.558   5.884   7.449  1.00  0.00           C  
ATOM     49  O   LYS A   5       1.405   6.940   6.858  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.680   6.845   8.342  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.182   6.666   8.118  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.499   6.819   6.630  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.072   8.213   6.367  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.184   8.480   7.322  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       0.664   5.077   7.645  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.672   4.980   6.893  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.856   4.941   8.860  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.315   7.652   7.723  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.497   7.076   9.380  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.722   7.415   8.681  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.481   5.683   8.448  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.221   6.071   6.337  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       4.593   6.690   6.054  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       6.448   8.263   5.355  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       5.297   8.952   6.501  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       6.809   8.954   8.168  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.892   9.093   6.866  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.628   7.582   7.599  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  N   DBB A   1       8.048   4.153   3.855  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.878   3.860   3.001  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.177   4.249   1.557  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.516   3.393   0.740  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.547   2.365   3.056  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.250   2.116   2.278  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.399   3.269   4.273  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.793   4.591   3.279  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.051   4.424   3.342  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.356   1.825   2.578  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.399   1.299   1.587  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.982   3.006   1.727  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       4.458   1.865   2.965  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       7.765   4.809   4.610  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.039   5.507   1.212  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.629   6.600   2.152  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.165   6.489   2.572  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.709   7.200   3.467  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.866   7.893   1.355  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.583   7.492   0.104  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.254   6.022  -0.136  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.264   6.596   3.023  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.919   8.355   1.112  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.477   8.574   1.926  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.238   8.093  -0.728  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.647   7.609   0.231  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.354   5.924  -0.728  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.080   5.511  -0.602  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.448   5.572   1.936  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.052   5.340   2.259  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.963   4.703   3.629  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.055   4.978   4.412  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.871   5.024   1.253  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.510   6.276   2.249  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.638   4.667   1.534  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.933   3.841   3.890  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.023   3.128   5.145  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.169   3.798   6.227  1.00  0.00           C  
ATOM     39  O   CYS A   4       2.064   3.342   6.520  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.489   3.092   5.594  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.378   1.735   4.765  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.602   3.664   3.201  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.682   2.128   4.995  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.965   4.030   5.369  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.524   2.932   6.662  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.677   4.878   6.814  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.940   5.590   7.853  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.561   6.987   7.374  1.00  0.00           C  
ATOM     49  O   LYS A   5       3.176   7.456   6.430  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.780   5.695   9.134  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.237   6.033   8.793  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.412   7.555   8.719  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.441   7.910   7.641  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       5.735   8.373   6.413  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.662   7.569   7.959  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.552   5.204   6.545  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.036   5.042   8.074  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.371   6.470   9.765  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.746   4.753   9.660  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.884   5.636   9.561  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.498   5.594   7.845  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       4.465   8.015   8.477  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.755   7.921   9.674  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.084   8.699   8.004  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       7.039   7.041   7.408  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       5.953   7.731   5.624  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       6.051   9.336   6.174  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       4.709   8.375   6.581  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       11                                                                  
HETATM    1  N   DBB A   1       8.071   4.196   3.956  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.926   3.876   3.078  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.263   4.236   1.635  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.657   3.368   0.855  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.599   2.384   3.168  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.338   2.103   2.342  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.938   4.243   3.385  1.00  0.00           H  
HETATM    8  H   DBB A   1       7.904   5.112   4.416  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.089   4.441   3.384  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.430   1.830   2.746  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.097   2.972   1.744  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.515   1.880   3.002  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.516   1.260   1.691  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.167   3.457   4.679  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.105   5.483   1.250  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.631   6.591   2.143  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.177   6.406   2.567  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.731   6.963   3.570  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.788   7.861   1.291  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.579   7.461   0.085  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.361   5.964  -0.105  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.263   6.663   3.013  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.816   8.230   0.995  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.322   8.617   1.846  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.227   8.004  -0.782  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.627   7.658   0.248  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.505   5.780  -0.742  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.245   5.494  -0.506  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.460   5.590   1.809  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.074   5.292   2.111  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.968   4.723   3.512  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.041   5.034   4.260  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.878   5.165   1.042  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.478   6.189   2.030  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.725   4.557   1.412  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.936   3.878   3.844  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.990   3.235   5.145  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.109   3.976   6.160  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.890   3.802   6.164  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.443   3.207   5.640  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.349   1.814   4.889  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.625   3.666   3.182  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.638   2.225   5.046  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.931   4.134   5.400  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.441   3.084   6.714  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.715   4.798   7.015  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.949   5.540   8.010  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.231   6.720   7.362  1.00  0.00           C  
ATOM     49  O   LYS A   5       2.219   6.784   6.144  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.880   6.050   9.112  1.00  0.00           C  
ATOM     51  CG  LYS A   5       4.989   6.903   8.491  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.933   7.399   9.590  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.336   6.838   9.353  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       8.170   7.054  10.569  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.704   7.542   8.094  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.683   4.910   6.981  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.216   4.883   8.450  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.314   6.648   9.812  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       4.321   5.211   9.628  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.544   6.308   7.779  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       4.551   7.751   7.986  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       5.968   8.479   9.573  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.573   7.065  10.552  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.271   5.780   9.145  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       7.788   7.343   8.512  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.696   7.945  10.475  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       8.840   6.264  10.674  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.556   7.103  11.407  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       12                                                                  
HETATM    1  N   DBB A   1       8.086   4.200   3.906  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.922   3.876   3.055  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.233   4.223   1.601  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.598   3.346   0.819  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.593   2.385   3.161  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.317   2.100   2.359  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.939   4.248   3.315  1.00  0.00           H  
HETATM    8  H   DBB A   1       7.927   5.118   4.368  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.092   4.448   3.372  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.416   1.828   2.728  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.066   2.964   1.760  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.507   1.880   3.035  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.485   1.252   1.711  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.199   3.465   4.629  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.081   5.469   1.215  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.640   6.585   2.113  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.186   6.430   2.547  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.744   7.038   3.523  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.820   7.853   1.262  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.570   7.434   0.036  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.313   5.942  -0.147  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.281   6.641   2.977  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.855   8.256   0.989  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.391   8.588   1.807  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.209   7.983  -0.823  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.626   7.606   0.170  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.438   5.778  -0.761  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.175   5.451  -0.569  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.462   5.585   1.828  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.074   5.310   2.142  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.972   4.729   3.538  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.046   5.030   4.291  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.878   5.122   1.082  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.494   6.220   2.077  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.703   4.589   1.440  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.945   3.885   3.858  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.006   3.228   5.152  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.118   3.946   6.176  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.909   3.714   6.216  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.461   3.214   5.642  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.376   1.826   4.890  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.630   3.681   3.192  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.667   2.214   5.041  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.940   4.144   5.397  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.464   3.093   6.716  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.703   4.813   7.003  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.924   5.535   8.002  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.101   6.638   7.346  1.00  0.00           C  
ATOM     49  O   LYS A   5       2.238   6.820   6.146  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.853   6.147   9.052  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.136   6.641   8.380  1.00  0.00           C  
ATOM     52  CD  LYS A   5       6.299   5.724   8.763  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.490   5.998   7.843  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       8.405   4.821   7.853  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.343   7.285   8.051  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.664   4.972   6.941  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.254   4.842   8.490  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.355   6.977   9.532  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       4.101   5.400   9.792  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.007   6.631   7.306  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.350   7.646   8.707  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.584   5.913   9.788  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.995   4.693   8.657  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.137   6.170   6.838  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       8.022   6.870   8.193  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       7.844   3.946   7.885  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       9.022   4.869   8.691  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       8.987   4.826   6.992  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       13                                                                  
HETATM    1  N   DBB A   1       8.108   4.178   3.879  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.928   3.878   3.041  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.216   4.246   1.590  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.570   3.382   0.788  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.590   2.388   3.122  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.314   2.128   2.313  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.655   3.307   4.025  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.695   4.888   3.403  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.106   4.449   3.382  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.409   1.834   2.679  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       4.503   1.889   2.981  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       5.480   1.303   1.637  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.063   3.012   1.739  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       7.790   4.551   4.796  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.052   5.494   1.225  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.624   6.586   2.154  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.166   6.441   2.570  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.712   7.064   3.530  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.838   7.866   1.344  1.00  0.00           C  
ATOM     20  CG  PRO A   2       6.813   7.449  -0.090  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.246   5.983  -0.143  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.258   6.602   3.024  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       6.044   8.570   1.546  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.794   8.301   1.584  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       5.811   7.555  -0.486  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       7.502   8.051  -0.662  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.623   5.428  -0.831  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.284   5.900  -0.420  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.455   5.582   1.856  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.065   5.311   2.159  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.964   4.713   3.548  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.036   4.999   4.304  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.880   5.104   1.126  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.489   6.224   2.106  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.694   4.600   1.449  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.942   3.874   3.859  1.00  0.00           N  
ATOM     37  CA  CYS A   4       4.009   3.203   5.142  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.132   3.910   6.181  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.942   3.615   6.290  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.466   3.174   5.624  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.369   1.798   4.840  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.631   3.685   3.190  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.665   2.196   5.021  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.949   4.107   5.394  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.475   3.033   6.695  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.710   4.839   6.941  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.946   5.557   7.954  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.741   6.250   7.325  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.706   6.296   7.970  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.834   6.599   8.640  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.263   6.066   8.747  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.249   4.688   9.413  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.674   4.134   9.473  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.181   4.217  10.871  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.872   6.724   6.208  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.655   5.044   6.824  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.598   4.854   8.696  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.831   7.511   8.061  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.451   6.799   9.629  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.694   5.986   7.759  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.857   6.745   9.343  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       4.854   4.777  10.415  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       4.628   4.018   8.839  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       6.671   3.103   9.151  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       7.312   4.713   8.823  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.209   4.066  10.877  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       6.719   3.486  11.451  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       6.968   5.156  11.263  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       14                                                                  
HETATM    1  N   DBB A   1       8.051   4.188   4.017  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.931   3.872   3.104  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.306   4.252   1.674  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.738   3.398   0.901  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.609   2.378   3.167  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.370   2.106   2.308  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.434   3.306   4.407  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.789   4.692   3.490  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.083   4.427   3.392  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.451   1.831   2.761  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.149   2.979   1.707  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       4.529   1.885   2.946  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       5.561   1.265   1.659  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       7.703   4.792   4.788  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.139   5.501   1.294  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.618   6.598   2.180  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.166   6.372   2.589  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.714   6.861   3.624  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.747   7.869   1.327  1.00  0.00           C  
ATOM     20  CG  PRO A   2       7.599   7.499   0.157  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.428   5.997  -0.050  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.238   6.692   3.056  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.770   8.191   0.992  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.224   8.652   1.896  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       7.273   8.037  -0.723  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       8.634   7.720   0.366  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.599   5.795  -0.716  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.337   5.553  -0.421  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.455   5.598   1.783  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.075   5.270   2.073  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.966   4.718   3.481  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.042   5.046   4.224  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.875   5.223   0.991  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.457   6.152   1.973  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.750   4.516   1.380  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.927   3.867   3.824  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.972   3.241   5.136  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.105   4.011   6.141  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.879   3.901   6.113  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.425   3.190   5.632  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.312   1.787   4.874  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.616   3.641   3.166  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.601   2.236   5.051  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.927   4.111   5.398  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.421   3.061   6.705  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.730   4.784   7.030  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.979   5.549   8.021  1.00  0.00           C  
ATOM     48  C   LYS A   5       2.175   6.657   7.348  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.961   6.542   7.311  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.935   6.163   9.048  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.240   6.566   8.357  1.00  0.00           C  
ATOM     52  CD  LYS A   5       6.294   5.481   8.585  1.00  0.00           C  
ATOM     53  CE  LYS A   5       7.490   5.723   7.663  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.973   4.419   7.126  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       2.786   7.605   6.882  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.703   4.843   7.023  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.299   4.885   8.532  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.475   7.036   9.489  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       4.148   5.438   9.819  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.065   6.683   7.297  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.591   7.500   8.769  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.622   5.509   9.615  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.867   4.514   8.370  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       7.189   6.361   6.843  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       8.283   6.201   8.218  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.965   4.513   6.828  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       7.389   4.142   6.311  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.904   3.692   7.866  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
MODEL       15                                                                  
HETATM    1  N   DBB A   1       8.090   4.201   3.962  1.00  0.00           N  
HETATM    2  CA  DBB A   1       6.944   3.883   3.086  1.00  0.00           C  
HETATM    3  C   DBB A   1       7.268   4.261   1.644  1.00  0.00           C  
HETATM    4  O   DBB A   1       7.662   3.407   0.850  1.00  0.00           O  
HETATM    5  CB  DBB A   1       6.621   2.390   3.157  1.00  0.00           C  
HETATM    6  CG  DBB A   1       5.378   2.118   2.301  1.00  0.00           C  
HETATM    7  H2  DBB A   1       8.052   5.210   4.218  1.00  0.00           H  
HETATM    8  H   DBB A   1       8.039   3.620   4.820  1.00  0.00           H  
HETATM    9  HA  DBB A   1       6.104   4.439   3.400  1.00  0.00           H  
HETATM   10  HB2 DBB A   1       7.461   1.842   2.747  1.00  0.00           H  
HETATM   11  HG1 DBB A   1       5.570   1.282   1.645  1.00  0.00           H  
HETATM   12  HG2 DBB A   1       5.151   2.992   1.705  1.00  0.00           H  
HETATM   13  HG3 DBB A   1       4.541   1.890   2.940  1.00  0.00           H  
HETATM   14  HT3 DBB A   1       8.974   4.002   3.458  1.00  0.00           H  
ATOM     15  N   PRO A   2       7.085   5.508   1.278  1.00  0.00           N  
ATOM     16  CA  PRO A   2       6.608   6.589   2.200  1.00  0.00           C  
ATOM     17  C   PRO A   2       5.153   6.387   2.602  1.00  0.00           C  
ATOM     18  O   PRO A   2       4.697   6.900   3.623  1.00  0.00           O  
ATOM     19  CB  PRO A   2       6.783   7.871   1.387  1.00  0.00           C  
ATOM     20  CG  PRO A   2       6.767   7.443  -0.043  1.00  0.00           C  
ATOM     21  CD  PRO A   2       7.301   6.010  -0.082  1.00  0.00           C  
ATOM     22  HA  PRO A   2       7.233   6.631   3.077  1.00  0.00           H  
ATOM     23  HB2 PRO A   2       5.969   8.554   1.586  1.00  0.00           H  
ATOM     24  HB3 PRO A   2       7.728   8.336   1.621  1.00  0.00           H  
ATOM     25  HG2 PRO A   2       5.755   7.474  -0.425  1.00  0.00           H  
ATOM     26  HG3 PRO A   2       7.405   8.084  -0.630  1.00  0.00           H  
ATOM     27  HD2 PRO A   2       6.742   5.416  -0.794  1.00  0.00           H  
ATOM     28  HD3 PRO A   2       8.352   5.998  -0.318  1.00  0.00           H  
ATOM     29  N   GLY A   3       4.450   5.597   1.806  1.00  0.00           N  
ATOM     30  CA  GLY A   3       3.067   5.276   2.086  1.00  0.00           C  
ATOM     31  C   GLY A   3       2.959   4.712   3.487  1.00  0.00           C  
ATOM     32  O   GLY A   3       2.030   5.023   4.232  1.00  0.00           O  
ATOM     33  H   GLY A   3       4.879   5.201   1.029  1.00  0.00           H  
ATOM     34  HA2 GLY A   3       2.455   6.162   1.993  1.00  0.00           H  
ATOM     35  HA3 GLY A   3       2.742   4.531   1.386  1.00  0.00           H  
ATOM     36  N   CYS A   4       3.932   3.871   3.825  1.00  0.00           N  
ATOM     37  CA  CYS A   4       3.984   3.237   5.131  1.00  0.00           C  
ATOM     38  C   CYS A   4       3.112   3.993   6.139  1.00  0.00           C  
ATOM     39  O   CYS A   4       1.890   3.849   6.133  1.00  0.00           O  
ATOM     40  CB  CYS A   4       5.437   3.197   5.627  1.00  0.00           C  
ATOM     41  SG  CYS A   4       6.336   1.803   4.867  1.00  0.00           S  
ATOM     42  H   CYS A   4       4.626   3.660   3.166  1.00  0.00           H  
ATOM     43  HA  CYS A   4       3.621   2.232   5.042  1.00  0.00           H  
ATOM     44  HB2 CYS A   4       5.931   4.124   5.397  1.00  0.00           H  
ATOM     45  HB3 CYS A   4       5.432   3.065   6.700  1.00  0.00           H  
ATOM     46  N   LYS A   5       3.733   4.796   6.999  1.00  0.00           N  
ATOM     47  CA  LYS A   5       2.985   5.556   7.992  1.00  0.00           C  
ATOM     48  C   LYS A   5       1.587   5.882   7.477  1.00  0.00           C  
ATOM     49  O   LYS A   5       0.701   5.066   7.668  1.00  0.00           O  
ATOM     50  CB  LYS A   5       3.727   6.852   8.317  1.00  0.00           C  
ATOM     51  CG  LYS A   5       5.231   6.579   8.374  1.00  0.00           C  
ATOM     52  CD  LYS A   5       5.818   6.652   6.963  1.00  0.00           C  
ATOM     53  CE  LYS A   5       6.425   8.036   6.731  1.00  0.00           C  
ATOM     54  NZ  LYS A   5       7.834   8.051   7.219  1.00  0.00           N1+
ATOM     55  OXT LYS A   5       1.423   6.945   6.900  1.00  0.00           O  
ATOM     56  H   LYS A   5       4.704   4.882   6.969  1.00  0.00           H  
ATOM     57  HA  LYS A   5       2.899   4.968   8.893  1.00  0.00           H  
ATOM     58  HB2 LYS A   5       3.521   7.587   7.552  1.00  0.00           H  
ATOM     59  HB3 LYS A   5       3.394   7.224   9.272  1.00  0.00           H  
ATOM     60  HG2 LYS A   5       5.707   7.317   9.003  1.00  0.00           H  
ATOM     61  HG3 LYS A   5       5.402   5.594   8.783  1.00  0.00           H  
ATOM     62  HD2 LYS A   5       6.585   5.898   6.853  1.00  0.00           H  
ATOM     63  HD3 LYS A   5       5.036   6.478   6.239  1.00  0.00           H  
ATOM     64  HE2 LYS A   5       6.408   8.264   5.676  1.00  0.00           H  
ATOM     65  HE3 LYS A   5       5.850   8.776   7.268  1.00  0.00           H  
ATOM     66  HZ1 LYS A   5       8.163   9.034   7.298  1.00  0.00           H  
ATOM     67  HZ2 LYS A   5       8.438   7.536   6.547  1.00  0.00           H  
ATOM     68  HZ3 LYS A   5       7.884   7.595   8.152  1.00  0.00           H  
TER      69      LYS A   5                                                      
ENDMDL                                                                          
CONECT    1    2    7    8                                                      
CONECT    2    1    3    5    9                                                 
CONECT    3    2    4   15                                                      
CONECT    4    3                                                                
CONECT    5    2    6   10   41                                                 
CONECT    6    5   11   12   13                                                 
CONECT    7    1                                                                
CONECT    8    1                                                                
CONECT    9    2                                                                
CONECT   10    5                                                                
CONECT   11    6                                                                
CONECT   12    6                                                                
CONECT   13    6                                                                
CONECT   15    3                                                                
CONECT   41    5                                                                
MASTER      124    0    1    0    0    0    0    6   33    1   15    1          
END