HEADER    ANTIBIOTIC                              01-FEB-19   6QM1              
TITLE     SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND   
TITLE    2 RING B - NISIN RING B (LAN8,11) ANALOGUE                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DAL-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   3   14-JUN-23 6QM1    1       LINK                                     
REVDAT   2   02-OCT-19 6QM1    1       JRNL                                     
REVDAT   1   11-SEP-19 6QM1    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 6QM1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-FEB-19.                  
REMARK 100 THE DEPOSITION ID IS D_1292100264.                                   
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                : 2.0 MG/ML NA- NISIN RING B         
REMARK 210                                   (LAN8,11) ANALOGUE, DMSO           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H COSY; 2D 1H-13C HSQC;     
REMARK 210                                   2D 1H-1H NOESY; 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   : 100                                
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: 640 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      138.75    -30.61                                   
REMARK 500  2 CYS A   4      103.14    -30.76                                   
REMARK 500  3 CYS A   4      139.42    -29.65                                   
REMARK 500  4 CYS A   4       91.82    -33.19                                   
REMARK 500  5 CYS A   4       95.39    -38.00                                   
REMARK 500  6 CYS A   4       85.63    -35.15                                   
REMARK 500  7 CYS A   4       89.80    -32.31                                   
REMARK 500  8 CYS A   4      110.59    -39.66                                   
REMARK 500  9 CYS A   4       87.32    -30.11                                   
REMARK 500 10 CYS A   4      113.40    -33.57                                   
REMARK 500 11 CYS A   4      136.99    -37.85                                   
REMARK 500 12 CYS A   4      115.04    -33.22                                   
REMARK 500 13 CYS A   4      104.90    -29.60                                   
REMARK 500 14 CYS A   4      147.22    -36.07                                   
REMARK 500 15 CYS A   4       95.89    -35.37                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1WCO   RELATED DB: PDB                                   
REMARK 900 DMSO SOLUTION NMR OF THE FULL LENGTH WT PEPTIDE IN COMPLEX WITH      
REMARK 900 LIPID II                                                             
REMARK 900 RELATED ID: 34360   RELATED DB: BMRB                                 
REMARK 900 SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND  
REMARK 900 RING B - NISIN RING B (LAN8,11) ANALOGUE                             
DBREF  6QM1 A    1     5  PDB    6QM1     6QM1             1      5             
SEQRES   1 A    5  DAL PRO GLY CYS LYS                                          
HET    DAL  A   1      11                                                       
HETNAM     DAL D-ALANINE                                                        
FORMUL   1  DAL    C3 H7 N O2                                                   
LINK         C   DAL A   1                 N   PRO A   2     1555   1555  1.31  
LINK         CB  DAL A   1                 SG  CYS A   4     1555   1555  1.81  
CISPEP   1 DAL A    1    PRO A    2          1        -0.38                     
CISPEP   2 DAL A    1    PRO A    2          2        -0.38                     
CISPEP   3 DAL A    1    PRO A    2          3        -0.23                     
CISPEP   4 DAL A    1    PRO A    2          4        -0.28                     
CISPEP   5 DAL A    1    PRO A    2          5        -0.14                     
CISPEP   6 DAL A    1    PRO A    2          6        -0.39                     
CISPEP   7 DAL A    1    PRO A    2          7        -0.22                     
CISPEP   8 DAL A    1    PRO A    2          8        -0.36                     
CISPEP   9 DAL A    1    PRO A    2          9        -0.30                     
CISPEP  10 DAL A    1    PRO A    2         10        -0.37                     
CISPEP  11 DAL A    1    PRO A    2         11        -0.16                     
CISPEP  12 DAL A    1    PRO A    2         12        -0.25                     
CISPEP  13 DAL A    1    PRO A    2         13        -0.32                     
CISPEP  14 DAL A    1    PRO A    2         14        -0.34                     
CISPEP  15 DAL A    1    PRO A    2         15        -0.27                     
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   DAL A   1      10.148   3.587   3.482  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.334   4.149   4.596  1.00  0.00           C  
HETATM    3  CB  DAL A   1       9.994   5.430   5.108  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.242   3.118   5.722  1.00  0.00           C  
HETATM    5  O   DAL A   1      10.072   3.107   6.630  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.456   2.624   3.729  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.576   3.557   2.614  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.981   4.188   3.324  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.345   4.378   4.234  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.294   6.041   4.270  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.863   5.176   5.697  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.259   2.256   5.672  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.240   2.243   4.588  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.111   3.232   4.854  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.751   4.016   3.977  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.740   0.801   4.605  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.874   0.360   6.028  1.00  0.00           C  
ATOM     18  CD  PRO A   2       8.012   1.184   6.650  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.699   2.456   3.640  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.706   0.757   4.287  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.355   0.183   3.968  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.949   0.543   6.559  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       7.123  -0.688   6.068  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.702   1.598   7.599  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.897   0.578   6.770  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.564   3.209   6.067  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.495   4.138   6.402  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.762   5.471   5.709  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.867   6.060   5.103  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.891   2.577   6.741  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.539   3.731   6.071  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.471   4.290   7.471  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.015   5.936   5.792  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.400   7.186   5.158  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.566   7.425   3.903  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.306   6.501   3.134  1.00  0.00           O  
ATOM     37  CB  CYS A   4       7.887   7.141   4.792  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.816   6.350   6.134  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.695   5.425   6.282  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.235   7.992   5.849  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.018   6.575   3.881  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.252   8.147   4.646  1.00  0.00           H  
ATOM     43  N   LYS A   5       5.145   8.668   3.706  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.336   9.012   2.543  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.967  10.168   1.773  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.299  10.712   0.910  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.927   9.402   2.989  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.946  10.831   3.532  1.00  0.00           C  
ATOM     49  CD  LYS A   5       1.657  11.106   4.309  1.00  0.00           C  
ATOM     50  CE  LYS A   5       2.003  11.705   5.674  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       2.494  13.100   5.492  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       6.107  10.491   2.061  1.00  0.00           O  
ATOM     53  H   LYS A   5       5.378   9.365   4.354  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.272   8.152   1.894  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.253   9.344   2.146  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.596   8.728   3.763  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       3.796  10.954   4.188  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       3.023  11.527   2.710  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       1.045  11.803   3.754  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       1.115  10.184   4.450  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       1.121  11.712   6.298  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       2.772  11.111   6.143  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       2.283  13.656   6.346  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       2.020  13.530   4.672  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       3.521  13.088   5.335  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  N   DAL A   1      10.196   3.488   3.638  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.369   4.076   4.729  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.082   5.306   5.294  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.167   3.036   5.829  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.935   2.976   6.789  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.013   3.999   2.750  1.00  0.00           H  
HETATM    7  H   DAL A   1      11.202   3.566   3.883  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.947   2.485   3.517  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.411   4.372   4.330  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.478   5.897   4.482  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.892   4.988   5.936  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.155   2.217   5.698  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.214   2.267   4.550  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.121   3.309   4.752  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.853   4.114   3.859  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.645   0.852   4.509  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.672   0.380   5.928  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.799   1.143   6.637  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.748   2.472   3.639  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.631   0.865   4.130  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.267   0.213   3.898  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.722   0.592   6.403  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.874  -0.679   5.962  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.444   1.555   7.573  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.647   0.497   6.804  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.501   3.310   5.929  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.460   4.289   6.202  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.840   5.611   5.542  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.016   6.252   4.888  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.755   2.662   6.618  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.509   3.933   5.805  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.374   4.435   7.268  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.108   6.009   5.708  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.598   7.241   5.115  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.867   7.539   3.813  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.142   6.928   2.779  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.103   7.126   4.848  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.905   6.301   6.249  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.728   5.458   6.234  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.428   8.049   5.804  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.265   6.549   3.949  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.523   8.113   4.723  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.933   8.480   3.871  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.163   8.854   2.692  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.707  10.143   2.083  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.058  11.031   2.841  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.693   9.046   3.069  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.862   9.229   1.799  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.447   9.675   2.174  1.00  0.00           C  
ATOM     50  CE  LYS A   5      -0.429   8.444   2.417  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       0.107   7.676   3.576  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       4.764  10.221   0.866  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.759   8.931   4.723  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.234   8.063   1.961  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.343   8.177   3.608  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.591   9.921   3.692  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.323   9.979   1.173  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       1.812   8.293   1.263  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.485  10.274   3.072  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.028  10.259   1.369  1.00  0.00           H  
ATOM     61  HE2 LYS A   5      -1.440   8.758   2.629  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -0.423   7.818   1.537  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       0.671   6.874   3.231  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -0.684   7.322   4.152  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       0.708   8.295   4.155  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  N   DAL A   1      10.151   3.538   3.488  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.336   4.140   4.580  1.00  0.00           C  
HETATM    3  CB  DAL A   1       9.989   5.446   5.036  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.254   3.160   5.750  1.00  0.00           C  
HETATM    5  O   DAL A   1      10.079   3.200   6.663  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.625   2.682   3.841  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.533   3.289   2.690  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.865   4.223   3.169  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.344   4.348   4.212  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.252   6.038   4.173  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.881   5.222   5.604  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.281   2.284   5.733  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.271   2.209   4.647  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.122   3.187   4.864  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.747   3.924   3.952  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.796   0.759   4.719  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.933   0.377   6.158  1.00  0.00           C  
ATOM     18  CD  PRO A   2       8.042   1.256   6.757  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.732   2.394   3.694  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.765   0.685   4.401  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.425   0.128   4.109  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.999   0.552   6.676  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       7.213  -0.661   6.239  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.707   1.708   7.680  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.938   0.676   6.920  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.576   3.210   6.077  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.488   4.129   6.373  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.756   5.462   5.679  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.857   6.052   5.078  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.917   2.615   6.778  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.546   3.707   6.018  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.432   4.288   7.439  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.008   5.928   5.758  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.390   7.180   5.128  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.539   7.442   3.890  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.251   6.529   3.117  1.00  0.00           O  
ATOM     37  CB  CYS A   4       7.870   7.132   4.735  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.827   6.371   6.073  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.690   5.416   6.247  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.244   7.980   5.830  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       7.985   6.550   3.834  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.229   8.136   4.563  1.00  0.00           H  
ATOM     43  N   LYS A   5       5.139   8.698   3.709  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.320   9.069   2.560  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.076   8.822   1.259  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.571   9.782   0.693  1.00  0.00           O  
ATOM     47  CB  LYS A   5       3.932  10.546   2.653  1.00  0.00           C  
ATOM     48  CG  LYS A   5       5.038  11.322   3.370  1.00  0.00           C  
ATOM     49  CD  LYS A   5       4.687  11.460   4.853  1.00  0.00           C  
ATOM     50  CE  LYS A   5       3.934  12.774   5.079  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       2.650  12.747   4.323  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       5.150   7.675   0.850  1.00  0.00           O  
ATOM     53  H   LYS A   5       5.398   9.384   4.357  1.00  0.00           H  
ATOM     54  HA  LYS A   5       3.421   8.473   2.563  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       3.797  10.946   1.658  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       3.010  10.643   3.207  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       5.973  10.790   3.269  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       5.133  12.303   2.931  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       4.064  10.631   5.154  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       5.593  11.462   5.439  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       3.730  12.894   6.132  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       4.539  13.599   4.732  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       1.978  13.408   4.758  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       2.255  11.784   4.346  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       2.822  13.028   3.337  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  N   DAL A   1      10.228   3.502   3.656  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.372   4.065   4.738  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.071   5.276   5.356  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.135   2.996   5.803  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.892   2.892   6.769  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.874   4.240   3.306  1.00  0.00           H  
HETATM    7  H   DAL A   1      10.780   2.705   4.030  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.627   3.168   2.875  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.427   4.374   4.320  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.465   5.904   4.570  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.881   4.939   5.988  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.107   2.203   5.641  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.176   2.304   4.487  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.103   3.363   4.708  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.857   4.193   3.835  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.575   0.901   4.407  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.583   0.392   5.814  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.722   1.111   6.549  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.720   2.518   3.586  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.564   0.947   4.025  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.186   0.266   3.782  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.636   0.610   6.289  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.764  -0.672   5.820  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.372   1.505   7.493  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.556   0.443   6.701  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.477   3.349   5.882  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.455   4.341   6.176  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.861   5.675   5.554  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.053   6.342   4.907  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.715   2.678   6.556  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.498   4.015   5.765  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.366   4.460   7.245  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.132   6.051   5.745  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.645   7.293   5.190  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.973   7.604   3.855  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.434   7.166   2.800  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.160   7.186   4.991  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.881   6.221   6.344  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.738   5.480   6.264  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.440   8.091   5.879  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.364   6.695   4.050  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.592   8.175   4.982  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.883   8.362   3.908  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.158   8.724   2.696  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.294  10.218   2.415  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.741  10.559   1.332  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.678   8.365   2.846  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.164   8.870   4.195  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.763   8.311   4.450  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.166   8.976   5.692  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -1.234   9.401   5.403  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       3.949  10.998   3.287  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.561   8.684   4.777  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.567   8.173   1.864  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.113   8.826   2.049  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.561   7.293   2.798  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.831   8.544   4.980  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.122   9.949   4.184  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.134   8.512   3.595  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.824   7.244   4.609  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.166   8.272   6.511  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       0.757   9.839   5.958  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -1.315  10.430   5.525  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -1.883   8.921   6.059  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -1.478   9.150   4.424  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  N   DAL A   1      10.169   3.626   3.576  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.324   4.110   4.704  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.009   5.301   5.376  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.132   2.980   5.714  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.917   2.833   6.651  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.996   3.121   3.955  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.614   2.984   2.977  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.487   4.437   3.009  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.365   4.421   4.322  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.380   5.977   4.619  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.835   4.948   5.978  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.108   2.183   5.538  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.143   2.335   4.417  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.082   3.389   4.712  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.815   4.254   3.879  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.534   0.941   4.293  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.584   0.370   5.674  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.762   1.039   6.395  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.663   2.588   3.510  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.512   1.006   3.944  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.122   0.332   3.621  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.659   0.583   6.193  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.747  -0.696   5.628  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.460   1.376   7.377  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.597   0.361   6.465  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.491   3.332   5.901  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.482   4.315   6.262  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.859   5.663   5.652  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.031   6.328   5.029  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.744   2.634   6.542  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.509   3.996   5.885  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.439   4.411   7.336  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.128   6.054   5.826  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.612   7.311   5.278  1.00  0.00           C  
ATOM     35  C   CYS A   4       6.000   7.571   3.904  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.500   7.085   2.890  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.139   7.273   5.163  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.815   6.167   6.429  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.751   5.485   6.326  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.334   8.108   5.941  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.417   6.911   4.183  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.535   8.267   5.304  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.916   8.339   3.881  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.244   8.656   2.626  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.182   9.415   1.692  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.684  10.096   0.811  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.999   9.502   2.898  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.755   8.614   2.835  1.00  0.00           C  
ATOM     49  CD  LYS A   5       1.256   8.537   1.390  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.686   7.144   1.121  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.076   6.680   2.315  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       6.383   9.305   1.874  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.562   8.699   4.721  1.00  0.00           H  
ATOM     54  HA  LYS A   5       3.943   7.737   2.147  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       3.074   9.948   3.879  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.922  10.280   2.154  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.002   7.622   3.184  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       0.980   9.034   3.459  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.484   9.278   1.236  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       2.076   8.725   0.715  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.027   7.183   0.267  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       1.495   6.457   0.920  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -0.547   5.778   2.098  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -0.791   7.393   2.568  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       0.577   6.544   3.113  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  N   DAL A   1      10.258   3.516   3.661  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.375   4.065   4.728  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.056   5.271   5.376  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.117   2.983   5.777  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.869   2.855   6.744  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.368   4.225   2.906  1.00  0.00           H  
HETATM    7  H   DAL A   1      11.189   3.290   4.063  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.833   2.653   3.269  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.440   4.377   4.292  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.432   5.928   4.607  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.877   4.932   5.993  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.078   2.206   5.601  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.147   2.332   4.449  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.086   3.399   4.684  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.848   4.244   3.821  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.530   0.938   4.350  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.523   0.418   5.752  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.677   1.106   6.495  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.694   2.551   3.548  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.523   1.001   3.961  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.138   0.301   3.724  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.580   0.654   6.227  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.679  -0.650   5.751  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.336   1.492   7.445  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.499   0.422   6.635  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.461   3.374   5.857  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.448   4.371   6.167  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.869   5.713   5.573  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.069   6.399   4.935  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.693   2.692   6.521  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.491   4.062   5.746  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.356   4.470   7.237  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.141   6.077   5.778  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.662   7.327   5.249  1.00  0.00           C  
ATOM     35  C   CYS A   4       6.033   7.641   3.896  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.592   7.312   2.850  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.184   7.233   5.101  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.856   6.164   6.400  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.741   5.492   6.290  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.428   8.118   5.937  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.426   6.820   4.133  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.615   8.220   5.188  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.868   8.280   3.925  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.172   8.633   2.694  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.571  10.032   2.235  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.760  10.298   2.178  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.658   8.578   2.914  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.276   9.513   4.064  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.762   9.745   4.055  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.472  11.239   3.895  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       0.908  11.963   5.122  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       3.682  10.815   1.947  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.470   8.516   4.789  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.437   7.923   1.925  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.152   8.890   2.013  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.366   7.569   3.161  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.565   9.063   5.004  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.785  10.457   3.945  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.318   9.202   3.232  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.338   9.397   4.984  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       1.012  11.621   3.041  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -0.588  11.387   3.746  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       0.474  11.523   5.958  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       0.611  12.959   5.060  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       1.942  11.915   5.205  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  N   DAL A   1      10.217   3.501   3.660  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.370   4.062   4.751  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.082   5.264   5.378  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.126   2.987   5.809  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.878   2.874   6.777  1.00  0.00           O  
HETATM    6  H2  DAL A   1       9.805   2.604   3.330  1.00  0.00           H  
HETATM    7  H   DAL A   1      10.259   4.176   2.872  1.00  0.00           H  
HETATM    8  H3  DAL A   1      11.177   3.331   4.020  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.427   4.384   4.339  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.495   5.884   4.596  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.879   4.914   6.019  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.096   2.199   5.637  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.172   2.311   4.479  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.105   3.376   4.702  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.870   4.215   3.833  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.564   0.914   4.384  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.562   0.394   5.786  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.701   1.103   6.535  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.722   2.531   3.582  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.555   0.968   3.997  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.175   0.280   3.757  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.614   0.613   6.258  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.739  -0.671   5.786  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.346   1.493   7.479  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.530   0.430   6.689  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.471   3.356   5.871  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.454   4.354   6.163  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.871   5.683   5.541  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.072   6.350   4.882  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.699   2.680   6.542  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.497   4.032   5.751  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.364   4.475   7.233  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.141   6.057   5.743  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.661   7.295   5.186  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.988   7.611   3.855  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.462   7.199   2.795  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.176   7.174   4.983  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.896   6.228   6.351  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.741   5.486   6.270  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.467   8.094   5.876  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.375   6.665   4.051  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.615   8.159   4.956  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.880   8.343   3.916  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.148   8.706   2.708  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.223  10.211   2.466  1.00  0.00           C  
ATOM     46  O   LYS A   5       3.990  10.622   1.342  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.684   8.280   2.837  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.125   8.772   4.175  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.797   8.070   4.468  1.00  0.00           C  
ATOM     50  CE  LYS A   5      -0.352   9.068   4.316  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.172   9.846   3.057  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       4.511  10.928   3.409  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.548   8.642   4.788  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.586   8.194   1.865  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.112   8.709   2.027  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.618   7.203   2.795  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.832   8.549   4.962  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       1.964   9.839   4.127  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.660   7.253   3.775  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.807   7.687   5.478  1.00  0.00           H  
ATOM     61  HE2 LYS A   5      -1.290   8.534   4.277  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -0.357   9.743   5.159  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -1.090   9.956   2.582  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       0.486   9.340   2.430  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       0.214  10.784   3.282  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  N   DAL A   1      10.142   3.683   3.517  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.302   4.146   4.657  1.00  0.00           C  
HETATM    3  CB  DAL A   1       9.964   5.359   5.312  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.162   3.014   5.675  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.976   2.887   6.590  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.589   2.776   3.762  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.546   3.560   2.675  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.877   4.391   3.318  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.328   4.426   4.292  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.293   6.046   4.548  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.815   5.032   5.893  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.155   2.191   5.527  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.155   2.315   4.433  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.076   3.341   4.757  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.754   4.190   3.926  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.576   0.905   4.331  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.682   0.339   5.710  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.862   1.040   6.397  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.641   2.576   3.511  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.542   0.946   4.015  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.157   0.309   3.642  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.767   0.527   6.256  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.872  -0.722   5.661  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.579   1.373   7.386  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.716   0.384   6.446  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.531   3.278   5.967  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.510   4.238   6.358  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.828   5.589   5.724  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.964   6.223   5.120  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.828   2.595   6.604  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.532   3.889   6.021  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.504   4.342   7.432  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.090   6.017   5.856  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.523   7.281   5.283  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.896   7.492   3.908  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.232   6.796   2.949  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.050   7.297   5.160  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.770   6.185   6.398  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.744   5.471   6.344  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.217   8.080   5.933  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.334   6.969   4.171  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.414   8.301   5.323  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.984   8.454   3.820  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.316   8.748   2.556  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.307   8.680   1.398  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.375   7.641   0.762  1.00  0.00           O  
ATOM     47  CB  LYS A   5       3.684  10.140   2.609  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.218  10.021   3.029  1.00  0.00           C  
ATOM     49  CD  LYS A   5       2.140   9.617   4.503  1.00  0.00           C  
ATOM     50  CE  LYS A   5       1.005   8.610   4.698  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       1.319   7.357   3.955  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       5.982   9.669   1.164  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.756   8.977   4.617  1.00  0.00           H  
ATOM     54  HA  LYS A   5       3.538   8.017   2.394  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       4.217  10.749   3.324  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       3.740  10.597   1.633  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       1.726  10.973   2.890  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       1.729   9.271   2.426  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       3.076   9.168   4.803  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       1.951  10.491   5.107  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.897   8.388   5.749  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       0.083   9.029   4.322  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       0.486   6.736   3.953  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       2.114   6.871   4.417  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       1.577   7.589   2.974  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  N   DAL A   1      10.270   3.417   3.713  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.403   4.039   4.754  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.111   5.266   5.331  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.134   3.021   5.862  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.870   2.954   6.847  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.251   2.382   3.821  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.918   3.674   2.770  1.00  0.00           H  
HETATM    8  H3  DAL A   1      11.245   3.759   3.824  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.471   4.343   4.307  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.510   5.864   4.524  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.919   4.946   5.975  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.102   2.230   5.715  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.194   2.285   4.539  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.114   3.348   4.702  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.884   4.150   3.796  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.598   0.879   4.500  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.568   0.430   5.928  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.688   1.183   6.662  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.755   2.468   3.641  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.598   0.906   4.088  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.229   0.221   3.921  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.609   0.669   6.367  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.748  -0.631   5.985  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.311   1.622   7.575  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.515   0.522   6.870  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.464   3.369   5.862  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.433   4.367   6.104  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.864   5.691   5.480  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.075   6.363   4.818  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.691   2.722   6.562  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.493   4.035   5.662  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.304   4.499   7.168  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.136   6.053   5.689  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.672   7.285   5.136  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.973   7.638   3.828  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.433   7.270   2.747  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.176   7.133   4.891  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.929   6.253   6.285  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.728   5.477   6.222  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.514   8.080   5.843  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.337   6.573   3.983  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.626   8.111   4.797  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.859   8.353   3.934  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.103   8.752   2.753  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.237  10.252   2.511  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.378  10.637   1.362  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.626   8.391   2.932  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.983   9.354   3.931  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.619   8.810   4.361  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.279   9.322   5.761  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.114  10.758   5.684  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       4.196  10.993   3.480  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.541   8.618   4.822  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.488   8.222   1.894  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.119   8.466   1.980  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.545   7.382   3.305  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.622   9.454   4.796  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       1.852  10.321   3.467  1.00  0.00           H  
ATOM     59  HD2 LYS A   5      -0.137   9.139   3.662  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.651   7.730   4.373  1.00  0.00           H  
ATOM     61  HE2 LYS A   5      -0.541   8.747   6.166  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       1.142   9.219   6.403  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -0.494  10.963   4.739  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       0.721  11.355   5.860  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -0.842  10.958   6.399  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  N   DAL A   1      10.194   3.552   3.577  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.352   4.104   4.675  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.026   5.353   5.248  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.191   3.050   5.769  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.986   2.990   6.708  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.175   4.205   2.766  1.00  0.00           H  
HETATM    7  H   DAL A   1      11.171   3.440   3.911  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.821   2.627   3.286  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.383   4.372   4.284  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.365   5.982   4.439  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.870   5.059   5.855  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.186   2.218   5.660  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.210   2.263   4.540  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.110   3.288   4.780  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.806   4.095   3.901  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.656   0.840   4.509  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.728   0.364   5.926  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.873   1.132   6.601  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.714   2.477   3.614  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.632   0.842   4.159  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.268   0.212   3.879  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.793   0.569   6.430  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.939  -0.694   5.950  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.548   1.533   7.552  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.732   0.493   6.733  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.526   3.274   5.974  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.480   4.237   6.286  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.816   5.570   5.625  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.964   6.195   4.995  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.808   2.624   6.651  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.522   3.868   5.915  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.424   4.373   7.355  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.079   5.994   5.764  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.527   7.242   5.167  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.806   7.497   3.848  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.993   6.767   2.875  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.039   7.190   4.926  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.836   6.266   6.266  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.723   5.455   6.273  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.311   8.047   5.846  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.235   6.699   3.984  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.433   8.195   4.897  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.982   8.538   3.824  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.235   8.882   2.618  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.108   9.689   1.661  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.127  10.902   1.789  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.993   9.695   2.987  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.023   9.715   1.803  1.00  0.00           C  
ATOM     49  CD  LYS A   5       1.072  10.905   1.942  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.234  11.044   0.669  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       0.476  12.382   0.059  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       5.743   9.081   0.816  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.873   9.084   4.630  1.00  0.00           H  
ATOM     54  HA  LYS A   5       3.924   7.973   2.128  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.509   9.245   3.842  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       3.282  10.706   3.229  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       2.582   9.804   0.883  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       1.452   8.799   1.791  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.419  10.747   2.788  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       1.645  11.807   2.093  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.513  10.273  -0.033  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -0.814  10.945   0.915  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       0.711  12.267  -0.947  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       1.266  12.849   0.550  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -0.381  12.964   0.148  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       11                                                                  
HETATM    1  N   DAL A   1      10.098   3.718   3.413  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.278   4.193   4.564  1.00  0.00           C  
HETATM    3  CB  DAL A   1       9.910   5.460   5.143  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.223   3.101   5.631  1.00  0.00           C  
HETATM    5  O   DAL A   1      10.077   3.045   6.517  1.00  0.00           O  
HETATM    6  H2  DAL A   1       9.469   3.353   2.668  1.00  0.00           H  
HETATM    7  H   DAL A   1      10.658   4.509   3.036  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.737   2.963   3.730  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.281   4.419   4.222  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.158   6.138   4.340  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.809   5.197   5.683  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.242   2.236   5.561  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.195   2.274   4.506  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.083   3.259   4.839  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.695   4.070   4.000  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.681   0.836   4.479  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.857   0.335   5.877  1.00  0.00           C  
ATOM     18  CD  PRO A   2       8.030   1.114   6.489  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.630   2.522   3.555  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.636   0.815   4.196  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.268   0.238   3.797  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.955   0.511   6.447  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       7.089  -0.718   5.866  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.768   1.477   7.474  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.913   0.495   6.534  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.581   3.205   6.070  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.531   4.127   6.471  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.773   5.478   5.806  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.859   6.071   5.232  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.930   2.552   6.713  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.561   3.730   6.167  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.549   4.249   7.544  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.021   5.957   5.878  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.379   7.228   5.269  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.651   7.409   3.941  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.558   6.480   3.141  1.00  0.00           O  
ATOM     37  CB  CYS A   4       7.892   7.286   5.037  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.735   6.258   6.269  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.716   5.443   6.345  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.098   8.023   5.935  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.118   6.920   4.047  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.231   8.308   5.129  1.00  0.00           H  
ATOM     43  N   LYS A   5       5.138   8.615   3.713  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.422   8.907   2.477  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.072  10.077   1.745  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.343  10.876   1.181  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.962   9.242   2.785  1.00  0.00           C  
ATOM     48  CG  LYS A   5       2.247   7.990   3.297  1.00  0.00           C  
ATOM     49  CD  LYS A   5       1.383   8.352   4.505  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.171   9.163   4.041  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.678   9.507   5.217  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       6.289  10.158   1.761  1.00  0.00           O  
ATOM     53  H   LYS A   5       5.244   9.318   4.387  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.452   8.035   1.840  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.922  10.015   3.540  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.475   9.590   1.887  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       1.623   7.587   2.514  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.979   7.252   3.590  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       1.046   7.448   4.991  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       1.962   8.941   5.201  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.508  10.071   3.563  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -0.405   8.580   3.338  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -1.254   8.683   5.480  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -1.301  10.304   4.973  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -0.070   9.772   6.018  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       12                                                                  
HETATM    1  N   DAL A   1      10.181   3.551   3.570  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.348   4.108   4.674  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.026   5.356   5.239  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.193   3.055   5.771  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.989   3.003   6.710  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.884   4.260   3.276  1.00  0.00           H  
HETATM    7  H   DAL A   1      10.668   2.695   3.901  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.571   3.310   2.763  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.377   4.374   4.288  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.367   5.980   4.425  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.870   5.062   5.846  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.192   2.220   5.666  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.215   2.258   4.546  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.112   3.282   4.784  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.802   4.083   3.903  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.667   0.834   4.518  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.742   0.359   5.935  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.882   1.136   6.610  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.717   2.473   3.619  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.642   0.832   4.171  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.280   0.207   3.887  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.807   0.559   6.440  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.960  -0.696   5.961  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.554   1.538   7.559  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.745   0.501   6.744  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.530   3.269   5.981  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.482   4.230   6.291  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.816   5.563   5.626  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.959   6.184   4.996  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.818   2.623   6.659  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.524   3.858   5.922  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.427   4.369   7.360  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.077   5.989   5.760  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.521   7.236   5.159  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.789   7.490   3.846  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.944   6.740   2.882  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.031   7.181   4.905  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.841   6.279   6.252  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.724   5.452   6.269  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.312   8.041   5.838  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.220   6.676   3.969  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.424   8.186   4.857  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.991   8.551   3.817  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.238   8.897   2.617  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.593  10.304   2.149  1.00  0.00           C  
ATOM     46  O   LYS A   5       3.909  11.232   2.552  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.737   8.813   2.900  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.965   8.887   1.582  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.521   8.439   1.810  1.00  0.00           C  
ATOM     50  CE  LYS A   5      -0.250   8.505   0.489  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -1.712   8.420   0.763  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       5.543  10.435   1.394  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.908   9.112   4.616  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.484   8.195   1.835  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.516   7.880   3.396  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.444   9.637   3.534  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       1.973   9.905   1.217  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.431   8.240   0.854  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.514   7.424   2.181  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       0.050   9.090   2.531  1.00  0.00           H  
ATOM     61  HE2 LYS A   5      -0.030   9.438  -0.009  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       0.048   7.680  -0.143  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -1.953   9.043   1.559  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -1.963   7.438   1.000  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -2.240   8.719  -0.081  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       13                                                                  
HETATM    1  N   DAL A   1      10.198   3.436   3.647  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.375   4.069   4.716  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.089   5.322   5.228  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.179   3.077   5.859  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.943   3.066   6.824  1.00  0.00           O  
HETATM    6  H2  DAL A   1      11.102   3.116   4.050  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.686   2.621   3.253  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.378   4.127   2.892  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.415   4.348   4.309  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.457   5.895   4.389  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.919   5.031   5.856  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.176   2.245   5.760  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.241   2.237   4.607  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.131   3.268   4.764  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.852   4.031   3.840  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.693   0.812   4.619  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.714   0.400   6.057  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.826   1.208   6.743  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.776   2.414   3.692  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.682   0.794   4.234  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.329   0.159   4.040  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.759   0.617   6.516  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.933  -0.654   6.137  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.458   1.658   7.656  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.680   0.582   6.945  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.510   3.305   5.938  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.454   4.277   6.174  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.835   5.599   5.511  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.009   6.238   4.858  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.774   2.689   6.653  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.516   3.907   5.756  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.338   4.434   7.235  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.102   5.997   5.674  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.589   7.232   5.080  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.834   7.546   3.795  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.062   6.921   2.759  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.086   7.110   4.780  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.926   6.330   6.184  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.724   5.448   6.202  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.440   8.034   5.779  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.228   6.507   3.896  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.500   8.094   4.615  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.933   8.519   3.872  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.146   8.913   2.710  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.654  10.236   2.143  1.00  0.00           C  
ATOM     46  O   LYS A   5       4.249  10.583   1.046  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.673   9.057   3.101  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.877   7.876   2.541  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.441   7.933   3.066  1.00  0.00           C  
ATOM     50  CE  LYS A   5      -0.264   6.609   2.769  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.706   6.590   1.345  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       5.440  10.882   2.816  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.798   8.978   4.726  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.233   8.151   1.951  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.587   9.073   4.178  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.281   9.978   2.695  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       1.869   7.928   1.461  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.337   6.951   2.854  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.455   8.102   4.134  1.00  0.00           H  
ATOM     60  HD3 LYS A   5      -0.089   8.738   2.580  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.419   5.790   2.944  1.00  0.00           H  
ATOM     62  HE3 LYS A   5      -1.123   6.505   3.414  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -1.699   6.892   1.287  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -0.614   5.624   0.966  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -0.115   7.239   0.789  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       14                                                                  
HETATM    1  N   DAL A   1      10.065   3.715   3.369  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.264   4.208   4.524  1.00  0.00           C  
HETATM    3  CB  DAL A   1       9.889   5.496   5.061  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.243   3.141   5.619  1.00  0.00           C  
HETATM    5  O   DAL A   1      10.110   3.121   6.494  1.00  0.00           O  
HETATM    6  H2  DAL A   1      10.422   4.527   2.825  1.00  0.00           H  
HETATM    7  H   DAL A   1      10.865   3.150   3.717  1.00  0.00           H  
HETATM    8  H3  DAL A   1       9.465   3.124   2.759  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.257   4.412   4.198  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.104   6.163   4.238  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.806   5.260   5.581  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.278   2.257   5.582  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.216   2.253   4.541  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.089   3.224   4.868  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.677   4.011   4.016  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.732   0.804   4.549  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.939   0.332   5.953  1.00  0.00           C  
ATOM     18  CD  PRO A   2       8.098   1.152   6.537  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.634   2.490   3.580  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.684   0.756   4.281  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.322   0.206   3.870  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       6.039   0.495   6.532  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       7.197  -0.714   5.958  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.836   1.532   7.515  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.995   0.555   6.589  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.602   3.184   6.105  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.537   4.092   6.501  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.755   5.446   5.829  1.00  0.00           C  
ATOM     29  O   GLY A   3       3.826   6.026   5.266  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.969   2.550   6.755  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.573   3.679   6.200  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.554   4.221   7.573  1.00  0.00           H  
ATOM     33  N   CYS A   4       5.997   5.940   5.883  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.328   7.215   5.266  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.547   7.406   3.971  1.00  0.00           C  
ATOM     36  O   CYS A   4       5.259   6.443   3.261  1.00  0.00           O  
ATOM     37  CB  CYS A   4       7.830   7.278   4.972  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.731   6.299   6.202  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.706   5.437   6.341  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.075   8.005   5.947  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.021   6.882   3.986  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.162   8.305   5.017  1.00  0.00           H  
ATOM     43  N   LYS A   5       5.207   8.654   3.669  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.459   8.960   2.455  1.00  0.00           C  
ATOM     45  C   LYS A   5       5.312   8.690   1.219  1.00  0.00           C  
ATOM     46  O   LYS A   5       6.366   9.292   1.108  1.00  0.00           O  
ATOM     47  CB  LYS A   5       4.024  10.426   2.466  1.00  0.00           C  
ATOM     48  CG  LYS A   5       3.020  10.668   1.337  1.00  0.00           C  
ATOM     49  CD  LYS A   5       3.053  12.143   0.932  1.00  0.00           C  
ATOM     50  CE  LYS A   5       4.298  12.412   0.085  1.00  0.00           C  
ATOM     51  NZ  LYS A   5       4.078  13.628  -0.748  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       4.898   7.882   0.403  1.00  0.00           O  
ATOM     53  H   LYS A   5       5.464   9.383   4.273  1.00  0.00           H  
ATOM     54  HA  LYS A   5       3.580   8.336   2.419  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       3.564  10.658   3.415  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       4.886  11.059   2.319  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       3.278  10.053   0.488  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.026  10.414   1.678  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       2.169  12.378   0.357  1.00  0.00           H  
ATOM     60  HD3 LYS A   5       3.082  12.760   1.817  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       5.148  12.569   0.734  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       4.488  11.565  -0.557  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5       3.059  13.774  -0.885  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5       4.540  13.502  -1.673  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5       4.484  14.456  -0.267  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
MODEL       15                                                                  
HETATM    1  N   DAL A   1      10.205   3.564   3.618  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       9.351   4.087   4.722  1.00  0.00           C  
HETATM    3  CB  DAL A   1      10.041   5.290   5.367  1.00  0.00           C  
HETATM    4  C   DAL A   1       9.136   2.987   5.761  1.00  0.00           C  
HETATM    5  O   DAL A   1       9.908   2.862   6.712  1.00  0.00           O  
HETATM    6  H2  DAL A   1      11.190   3.492   3.947  1.00  0.00           H  
HETATM    7  H   DAL A   1       9.865   2.624   3.333  1.00  0.00           H  
HETATM    8  H3  DAL A   1      10.156   4.209   2.805  1.00  0.00           H  
HETATM    9  HA  DAL A   1       8.400   4.396   4.320  1.00  0.00           H  
HETATM   10  HB1 DAL A   1      10.428   5.940   4.595  1.00  0.00           H  
HETATM   11  HB2 DAL A   1      10.855   4.946   5.989  1.00  0.00           H  
ATOM     12  N   PRO A   2       8.111   2.191   5.592  1.00  0.00           N  
ATOM     13  CA  PRO A   2       7.163   2.316   4.455  1.00  0.00           C  
ATOM     14  C   PRO A   2       6.092   3.369   4.716  1.00  0.00           C  
ATOM     15  O   PRO A   2       5.828   4.216   3.862  1.00  0.00           O  
ATOM     16  CB  PRO A   2       6.561   0.917   4.350  1.00  0.00           C  
ATOM     17  CG  PRO A   2       6.594   0.372   5.742  1.00  0.00           C  
ATOM     18  CD  PRO A   2       7.747   1.072   6.475  1.00  0.00           C  
ATOM     19  HA  PRO A   2       7.693   2.553   3.550  1.00  0.00           H  
ATOM     20  HB2 PRO A   2       5.544   0.971   3.987  1.00  0.00           H  
ATOM     21  HB3 PRO A   2       7.162   0.297   3.699  1.00  0.00           H  
ATOM     22  HG2 PRO A   2       5.656   0.580   6.240  1.00  0.00           H  
ATOM     23  HG3 PRO A   2       6.773  -0.691   5.719  1.00  0.00           H  
ATOM     24  HD2 PRO A   2       7.416   1.438   7.437  1.00  0.00           H  
ATOM     25  HD3 PRO A   2       8.584   0.402   6.591  1.00  0.00           H  
ATOM     26  N   GLY A   3       5.489   3.333   5.900  1.00  0.00           N  
ATOM     27  CA  GLY A   3       4.471   4.318   6.231  1.00  0.00           C  
ATOM     28  C   GLY A   3       4.855   5.657   5.607  1.00  0.00           C  
ATOM     29  O   GLY A   3       4.033   6.317   4.972  1.00  0.00           O  
ATOM     30  H   GLY A   3       5.741   2.650   6.558  1.00  0.00           H  
ATOM     31  HA2 GLY A   3       3.506   3.990   5.844  1.00  0.00           H  
ATOM     32  HA3 GLY A   3       4.411   4.429   7.303  1.00  0.00           H  
ATOM     33  N   CYS A   4       6.124   6.046   5.784  1.00  0.00           N  
ATOM     34  CA  CYS A   4       6.618   7.295   5.225  1.00  0.00           C  
ATOM     35  C   CYS A   4       5.967   7.574   3.873  1.00  0.00           C  
ATOM     36  O   CYS A   4       6.418   7.075   2.842  1.00  0.00           O  
ATOM     37  CB  CYS A   4       8.139   7.220   5.058  1.00  0.00           C  
ATOM     38  SG  CYS A   4       8.846   6.201   6.380  1.00  0.00           S  
ATOM     39  H   CYS A   4       6.743   5.480   6.295  1.00  0.00           H  
ATOM     40  HA  CYS A   4       6.382   8.095   5.901  1.00  0.00           H  
ATOM     41  HB2 CYS A   4       8.375   6.780   4.100  1.00  0.00           H  
ATOM     42  HB3 CYS A   4       8.556   8.215   5.109  1.00  0.00           H  
ATOM     43  N   LYS A   5       4.906   8.374   3.886  1.00  0.00           N  
ATOM     44  CA  LYS A   5       4.202   8.712   2.654  1.00  0.00           C  
ATOM     45  C   LYS A   5       4.721  10.030   2.086  1.00  0.00           C  
ATOM     46  O   LYS A   5       5.239  10.013   0.981  1.00  0.00           O  
ATOM     47  CB  LYS A   5       2.699   8.824   2.925  1.00  0.00           C  
ATOM     48  CG  LYS A   5       1.965   7.664   2.248  1.00  0.00           C  
ATOM     49  CD  LYS A   5       0.610   7.453   2.926  1.00  0.00           C  
ATOM     50  CE  LYS A   5       0.712   6.294   3.920  1.00  0.00           C  
ATOM     51  NZ  LYS A   5      -0.601   6.104   4.599  1.00  0.00           N1+
ATOM     52  OXT LYS A   5       4.592  11.036   2.764  1.00  0.00           O  
ATOM     53  H   LYS A   5       4.592   8.743   4.737  1.00  0.00           H  
ATOM     54  HA  LYS A   5       4.370   7.929   1.929  1.00  0.00           H  
ATOM     55  HB2 LYS A   5       2.523   8.789   3.991  1.00  0.00           H  
ATOM     56  HB3 LYS A   5       2.331   9.760   2.530  1.00  0.00           H  
ATOM     57  HG2 LYS A   5       1.813   7.895   1.203  1.00  0.00           H  
ATOM     58  HG3 LYS A   5       2.553   6.764   2.337  1.00  0.00           H  
ATOM     59  HD2 LYS A   5       0.325   8.354   3.450  1.00  0.00           H  
ATOM     60  HD3 LYS A   5      -0.134   7.219   2.180  1.00  0.00           H  
ATOM     61  HE2 LYS A   5       0.979   5.390   3.392  1.00  0.00           H  
ATOM     62  HE3 LYS A   5       1.469   6.517   4.656  1.00  0.00           H  
ATOM     63  HZ1 LYS A   5      -0.568   6.532   5.545  1.00  0.00           H  
ATOM     64  HZ2 LYS A   5      -0.802   5.086   4.684  1.00  0.00           H  
ATOM     65  HZ3 LYS A   5      -1.350   6.559   4.040  1.00  0.00           H  
TER      66      LYS A   5                                                      
ENDMDL                                                                          
CONECT    1    2    6    7                                                      
CONECT    2    1    3    4    9                                                 
CONECT    3    2   10   11   38                                                 
CONECT    4    2    5   12                                                      
CONECT    5    4                                                                
CONECT    6    1                                                                
CONECT    7    1                                                                
CONECT    9    2                                                                
CONECT   10    3                                                                
CONECT   11    3                                                                
CONECT   12    4                                                                
CONECT   38    3                                                                
MASTER      121    0    1    0    0    0    0    6   32    1   12    1          
END