HEADER    ANTIBIOTIC                              09-MAR-19   6QYR              
TITLE     SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND   
TITLE    2 RING B - MUTACIN I RING B, MINOR CONFORMER                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DAL-LEU-GLY-CYS-THR;                                       
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 6QYR    1       LINK                                     
REVDAT   2   02-OCT-19 6QYR    1       JRNL                                     
REVDAT   1   11-SEP-19 6QYR    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 ANALOGUE.                                                    
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                                            
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6QYR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 10-MAR-19.                  
REMARK 100 THE DEPOSITION ID IS D_1292101147.                                   
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                : 13.0 MG/ML MUTACIN I RING B,       
REMARK 210                                   DMSO                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H COSY; 2D 1H-1H NOESY;     
REMARK 210                                   2D 1H-13C HSQC; 2D 1H-13C HMBC     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XPLOR-NIH 2.45, CCPNMR ANALYSIS    
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 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: 630 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: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 LEU A   2      -83.20    -40.16                                   
REMARK 500  2 CYS A   4       68.99   -106.35                                   
REMARK 500  3 LEU A   2      -72.95    -54.78                                   
REMARK 500  4 LEU A   2      -85.24    -44.52                                   
REMARK 500  5 LEU A   2      -72.73    -42.55                                   
REMARK 500 12 LEU A   2      -21.46    -36.89                                   
REMARK 500 13 LEU A   2      -78.16    -46.21                                   
REMARK 500 14 LEU A   2      -74.71    -57.48                                   
REMARK 500 15 LEU A   2      -77.96    -50.66                                   
REMARK 500 15 CYS A   4       38.35    -85.14                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1WCO   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 6QM1   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC NISIN RING B (LAN8,11) ANALOGUE            
REMARK 900 RELATED ID: 6QTF   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR OF SYNTHETIC MUTACIN I RING B,MAJOR CONFORMER           
REMARK 900 RELATED ID: 34369   RELATED DB: BMRB                                 
REMARK 900 SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND  
REMARK 900 RING B - MUTACIN I RING B, MINOR CONFORMER                           
DBREF  6QYR A    1     5  PDB    6QYR     6QYR             1      5             
SEQRES   1 A    5  DAL LEU GLY CYS THR                                          
HET    DAL  A   1      11                                                       
HETNAM     DAL D-ALANINE                                                        
FORMUL   1  DAL    C3 H7 N O2                                                   
LINK         C   DAL A   1                 N   LEU A   2     1555   1555  1.33  
LINK         CB  DAL A   1                 SG  CYS A   4     1555   1555  1.81  
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       2.405   6.263   6.181  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.058   5.377   5.177  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.206   3.970   5.759  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.431   5.942   4.822  1.00  0.00           C  
HETATM    5  O   DAL A   1       5.053   5.519   3.847  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.957   7.139   6.281  1.00  0.00           H  
HETATM    7  H   DAL A   1       1.441   6.493   5.866  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.360   5.774   7.097  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.448   5.335   4.287  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.495   3.285   4.976  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.264   3.656   6.183  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.895   6.899   5.617  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.195   7.515   5.377  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.215   6.464   4.949  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.464   6.276   3.758  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.683   8.216   6.647  1.00  0.00           C  
ATOM     17  CG  LEU A   2       6.533   9.730   6.485  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.051  10.086   6.363  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       7.125  10.433   7.709  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.355   7.196   6.379  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.096   8.248   4.591  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.095   7.883   7.490  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.722   7.975   6.814  1.00  0.00           H  
ATOM     24  HG  LEU A   2       7.054  10.050   5.595  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       4.878  11.061   6.793  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       4.459   9.351   6.888  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       4.768  10.098   5.321  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       6.748  11.444   7.761  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       8.202  10.456   7.625  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       6.846   9.898   8.603  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.802   5.782   5.927  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.792   4.752   5.639  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.167   3.363   5.704  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.830   2.360   5.440  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.563   5.974   6.859  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.196   4.916   4.650  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.590   4.814   6.364  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.886   3.314   6.055  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.178   2.043   6.153  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.831   1.516   4.764  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.797   2.271   3.794  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.896   2.221   6.968  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.475   3.981   7.050  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.409   4.147   6.254  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.812   1.325   6.652  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.090   1.680   6.494  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.049   1.840   7.966  1.00  0.00           H  
ATOM     48  N   THR A   5       5.574   0.214   4.678  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.231  -0.404   3.402  1.00  0.00           C  
ATOM     50  C   THR A   5       3.780  -0.107   3.038  1.00  0.00           C  
ATOM     51  O   THR A   5       3.473  -0.113   1.858  1.00  0.00           O  
ATOM     52  CB  THR A   5       5.440  -1.918   3.481  1.00  0.00           C  
ATOM     53  OG1 THR A   5       5.246  -2.488   2.194  1.00  0.00           O  
ATOM     54  CG2 THR A   5       4.439  -2.522   4.466  1.00  0.00           C  
ATOM     55  OXT THR A   5       2.998   0.123   3.945  1.00  0.00           O  
ATOM     56  H   THR A   5       5.616  -0.339   5.485  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.875  -0.002   2.634  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.443  -2.126   3.820  1.00  0.00           H  
ATOM     59  HG1 THR A   5       5.961  -3.109   2.034  1.00  0.00           H  
ATOM     60 HG21 THR A   5       3.439  -2.425   4.068  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.503  -2.001   5.410  1.00  0.00           H  
ATOM     62 HG23 THR A   5       4.667  -3.567   4.615  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  N   DAL A   1       3.277   6.053   7.109  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.214   5.410   5.765  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.219   3.888   5.930  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.420   5.848   4.939  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.741   5.235   3.920  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.693   5.512   7.778  1.00  0.00           H  
HETATM    7  H   DAL A   1       4.263   6.069   7.440  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.920   7.027   7.045  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.307   5.715   5.265  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.448   3.424   4.983  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.248   3.559   6.268  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.086   6.909   5.385  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.257   7.415   4.679  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.435   6.465   4.864  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.275   6.318   3.976  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.630   8.804   5.206  1.00  0.00           C  
ATOM     17  CG  LEU A   2       6.325   9.857   4.140  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       7.130   9.553   2.875  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       4.831   9.827   3.812  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.786   7.358   6.204  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.030   7.489   3.626  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.056   9.015   6.096  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.683   8.828   5.443  1.00  0.00           H  
ATOM     24  HG  LEU A   2       6.595  10.834   4.512  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       7.886   8.815   3.099  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       7.602  10.458   2.522  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       6.469   9.171   2.111  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       4.289   9.399   4.642  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       4.669   9.227   2.929  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       4.482  10.833   3.633  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.481   5.817   6.022  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.553   4.873   6.316  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.078   3.445   6.087  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.864   2.499   6.144  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.780   5.970   6.688  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.396   5.080   5.673  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       8.853   4.985   7.348  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.783   3.301   5.826  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.199   1.988   5.586  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.881   1.812   4.103  1.00  0.00           C  
ATOM     41  O   CYS A   4       4.717   1.768   3.706  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.924   1.826   6.418  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.473   3.419   7.150  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.208   4.094   5.793  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.908   1.230   5.884  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.119   1.480   5.786  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.097   1.105   7.204  1.00  0.00           H  
ATOM     48  N   THR A   5       6.926   1.716   3.290  1.00  0.00           N  
ATOM     49  CA  THR A   5       6.750   1.548   1.852  1.00  0.00           C  
ATOM     50  C   THR A   5       5.601   0.589   1.561  1.00  0.00           C  
ATOM     51  O   THR A   5       5.776  -0.599   1.781  1.00  0.00           O  
ATOM     52  CB  THR A   5       8.040   1.011   1.230  1.00  0.00           C  
ATOM     53  OG1 THR A   5       7.750  -0.167   0.489  1.00  0.00           O  
ATOM     54  CG2 THR A   5       9.045   0.688   2.336  1.00  0.00           C  
ATOM     55  OXT THR A   5       4.563   1.055   1.121  1.00  0.00           O  
ATOM     56  H   THR A   5       7.832   1.760   3.661  1.00  0.00           H  
ATOM     57  HA  THR A   5       6.524   2.508   1.413  1.00  0.00           H  
ATOM     58  HB  THR A   5       8.460   1.755   0.573  1.00  0.00           H  
ATOM     59  HG1 THR A   5       7.821   0.044  -0.444  1.00  0.00           H  
ATOM     60 HG21 THR A   5       8.593   0.012   3.048  1.00  0.00           H  
ATOM     61 HG22 THR A   5       9.333   1.599   2.838  1.00  0.00           H  
ATOM     62 HG23 THR A   5       9.918   0.222   1.904  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  N   DAL A   1       2.532   6.210   6.425  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.045   5.396   5.287  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.259   3.953   5.751  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.361   5.988   4.796  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.838   5.654   3.711  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.821   7.201   6.299  1.00  0.00           H  
HETATM    7  H   DAL A   1       1.493   6.152   6.453  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.922   5.845   7.316  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.324   5.410   4.483  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.590   3.352   4.917  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.330   3.557   6.134  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.943   6.872   5.601  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.204   7.509   5.238  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.266   6.461   4.920  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.627   6.263   3.761  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.689   8.398   6.385  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.573   9.362   6.796  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.336   9.259   8.304  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       5.980  10.795   6.442  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.515   7.102   6.453  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.047   8.124   4.365  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.961   7.780   7.229  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.550   8.964   6.062  1.00  0.00           H  
ATOM     24  HG  LEU A   2       4.663   9.104   6.272  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       4.413   9.758   8.559  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       6.156   9.727   8.829  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       5.274   8.219   8.588  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.922  10.931   5.372  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       6.991  10.974   6.774  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       5.312  11.490   6.930  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.763   5.795   5.958  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.787   4.771   5.776  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.192   3.373   5.912  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.922   2.386   6.007  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.438   5.997   6.860  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.225   4.878   4.793  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.555   4.901   6.524  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.866   3.296   5.919  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.187   2.011   6.045  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.790   1.477   4.672  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.126   0.446   4.566  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.938   2.165   6.915  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.513   3.918   7.055  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.335   4.116   5.841  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.854   1.306   6.516  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.116   1.630   6.462  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.132   1.762   7.898  1.00  0.00           H  
ATOM     48  N   THR A   5       6.199   2.185   3.625  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.877   1.770   2.264  1.00  0.00           C  
ATOM     50  C   THR A   5       4.521   1.076   2.221  1.00  0.00           C  
ATOM     51  O   THR A   5       4.499  -0.130   2.035  1.00  0.00           O  
ATOM     52  CB  THR A   5       6.956   0.821   1.738  1.00  0.00           C  
ATOM     53  OG1 THR A   5       6.822  -0.444   2.373  1.00  0.00           O  
ATOM     54  CG2 THR A   5       8.341   1.398   2.034  1.00  0.00           C  
ATOM     55  OXT THR A   5       3.522   1.759   2.375  1.00  0.00           O  
ATOM     56  H   THR A   5       6.724   2.999   3.770  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.844   2.645   1.631  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.842   0.702   0.671  1.00  0.00           H  
ATOM     59  HG1 THR A   5       7.692  -0.720   2.671  1.00  0.00           H  
ATOM     60 HG21 THR A   5       8.871   1.558   1.107  1.00  0.00           H  
ATOM     61 HG22 THR A   5       8.896   0.706   2.651  1.00  0.00           H  
ATOM     62 HG23 THR A   5       8.236   2.338   2.556  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  N   DAL A   1       2.408   6.293   6.237  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.023   5.384   5.230  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.180   3.987   5.837  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.387   5.930   4.822  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.961   5.506   3.820  1.00  0.00           O  
HETATM    6  H2  DAL A   1       1.375   6.158   6.240  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.789   6.076   7.180  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.628   7.279   5.995  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.385   5.328   4.360  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.421   3.281   5.055  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.255   3.696   6.312  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.899   6.874   5.605  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.197   7.473   5.314  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.211   6.397   4.938  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.419   6.113   3.758  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.701   8.246   6.536  1.00  0.00           C  
ATOM     17  CG  LEU A   2       8.035   8.919   6.202  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       7.915  10.429   6.418  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       9.131   8.361   7.114  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.396   7.173   6.391  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.090   8.158   4.488  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       5.974   8.998   6.808  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       6.839   7.564   7.361  1.00  0.00           H  
ATOM     24  HG  LEU A   2       8.290   8.724   5.170  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       8.903  10.861   6.493  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       7.369  10.620   7.329  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       7.392  10.871   5.584  1.00  0.00           H  
ATOM     28 HD21 LEU A   2      10.100   8.603   6.702  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       9.028   7.288   7.187  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       9.038   8.800   8.097  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.839   5.803   5.947  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.830   4.760   5.709  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.204   3.375   5.831  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.903   2.362   5.801  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.633   6.071   6.866  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.240   4.880   4.715  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.624   4.853   6.434  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.883   3.339   5.967  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.172   2.070   6.093  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.756   1.552   4.721  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.256   2.307   3.886  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.933   2.251   6.971  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.510   4.008   7.063  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.376   4.177   5.984  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.825   1.347   6.557  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.106   1.705   6.541  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.136   1.876   7.963  1.00  0.00           H  
ATOM     48  N   THR A   5       5.966   0.259   4.494  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.608  -0.350   3.218  1.00  0.00           C  
ATOM     50  C   THR A   5       4.292  -1.112   3.339  1.00  0.00           C  
ATOM     51  O   THR A   5       4.310  -2.203   3.884  1.00  0.00           O  
ATOM     52  CB  THR A   5       6.714  -1.307   2.768  1.00  0.00           C  
ATOM     53  OG1 THR A   5       6.490  -2.589   3.336  1.00  0.00           O  
ATOM     54  CG2 THR A   5       8.072  -0.772   3.226  1.00  0.00           C  
ATOM     55  OXT THR A   5       3.286  -0.594   2.883  1.00  0.00           O  
ATOM     56  H   THR A   5       6.368  -0.294   5.195  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.496   0.427   2.477  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.709  -1.383   1.690  1.00  0.00           H  
ATOM     59  HG1 THR A   5       6.721  -3.249   2.679  1.00  0.00           H  
ATOM     60 HG21 THR A   5       8.071  -0.666   4.302  1.00  0.00           H  
ATOM     61 HG22 THR A   5       8.254   0.189   2.769  1.00  0.00           H  
ATOM     62 HG23 THR A   5       8.849  -1.463   2.934  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  N   DAL A   1       2.603   6.120   6.434  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.138   5.323   5.294  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.313   3.868   5.732  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.480   5.900   4.858  1.00  0.00           C  
HETATM    5  O   DAL A   1       5.087   5.427   3.898  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.018   5.508   7.040  1.00  0.00           H  
HETATM    7  H   DAL A   1       3.392   6.505   6.989  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.024   6.902   6.069  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.443   5.368   4.468  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.760   3.301   4.929  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.349   3.446   5.977  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.937   6.925   5.570  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.210   7.558   5.247  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.267   6.507   4.920  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.647   6.335   3.762  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.683   8.411   6.427  1.00  0.00           C  
ATOM     17  CG  LEU A   2       6.288   9.869   6.193  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       7.072  10.430   5.005  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       4.788   9.948   5.899  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.411   7.260   6.326  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.075   8.198   4.388  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.224   8.052   7.336  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.758   8.341   6.514  1.00  0.00           H  
ATOM     24  HG  LEU A   2       6.513  10.449   7.078  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       7.843   9.729   4.721  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       7.524  11.370   5.283  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       6.402  10.585   4.173  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       4.390  10.871   6.295  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       4.286   9.111   6.360  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       4.630   9.919   4.830  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.734   5.806   5.948  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.746   4.773   5.757  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.106   3.392   5.670  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.739   2.430   5.236  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.393   5.986   6.849  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.289   4.973   4.844  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.433   4.791   6.590  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.846   3.303   6.084  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.129   2.033   6.047  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.651   1.727   4.631  1.00  0.00           C  
ATOM     41  O   CYS A   4       4.971   0.728   4.397  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.928   2.085   6.994  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.387   3.801   7.188  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.391   4.103   6.420  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.793   1.246   6.371  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.120   1.497   6.582  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.210   1.685   7.956  1.00  0.00           H  
ATOM     48  N   THR A   5       6.013   2.593   3.690  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.616   2.406   2.299  1.00  0.00           C  
ATOM     50  C   THR A   5       4.154   1.978   2.213  1.00  0.00           C  
ATOM     51  O   THR A   5       3.311   2.719   2.693  1.00  0.00           O  
ATOM     52  CB  THR A   5       6.500   1.343   1.643  1.00  0.00           C  
ATOM     53  OG1 THR A   5       7.831   1.474   2.122  1.00  0.00           O  
ATOM     54  CG2 THR A   5       6.481   1.527   0.124  1.00  0.00           C  
ATOM     55  OXT THR A   5       3.898   0.917   1.667  1.00  0.00           O  
ATOM     56  H   THR A   5       6.556   3.371   3.934  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.741   3.337   1.770  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.125   0.361   1.886  1.00  0.00           H  
ATOM     59  HG1 THR A   5       8.394   1.695   1.376  1.00  0.00           H  
ATOM     60 HG21 THR A   5       6.818   2.523  -0.122  1.00  0.00           H  
ATOM     61 HG22 THR A   5       5.476   1.385  -0.243  1.00  0.00           H  
ATOM     62 HG23 THR A   5       7.139   0.803  -0.334  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  N   DAL A   1       3.273   5.956   7.073  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.242   5.408   5.687  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.250   3.879   5.747  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.462   5.902   4.919  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.844   5.322   3.903  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.589   6.947   7.046  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.322   5.906   7.488  1.00  0.00           H  
HETATM    8  H3  DAL A   1       3.931   5.397   7.651  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.344   5.743   5.189  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.597   3.483   4.804  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.250   3.521   5.941  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.072   6.976   5.411  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.250   7.533   4.760  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.435   6.582   4.897  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.321   6.549   4.043  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.608   8.884   5.383  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.519   9.908   5.047  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       4.283   9.658   5.915  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       6.051  11.318   5.311  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.726   7.397   6.225  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.037   7.677   3.711  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.686   8.777   6.455  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.552   9.224   4.985  1.00  0.00           H  
ATOM     24  HG  LEU A   2       5.249   9.813   4.004  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       3.513   9.191   5.319  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       3.918  10.599   6.300  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       4.542   9.010   6.740  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.237  11.959   5.614  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       6.500  11.708   4.410  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       6.792  11.281   6.095  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.441   5.809   5.978  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.521   4.858   6.219  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.069   3.432   5.923  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.890   2.548   5.681  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.708   5.878   6.624  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.360   5.104   5.585  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       8.826   4.923   7.253  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.757   3.214   5.946  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.210   1.889   5.680  1.00  0.00           C  
ATOM     40  C   CYS A   4       6.103   1.643   4.177  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.884   0.514   3.738  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.829   1.753   6.325  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.354   3.332   7.071  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.149   3.956   6.147  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.867   1.147   6.108  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.104   1.478   5.574  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       4.863   0.991   7.089  1.00  0.00           H  
ATOM     48  N   THR A   5       6.263   2.704   3.394  1.00  0.00           N  
ATOM     49  CA  THR A   5       6.185   2.589   1.942  1.00  0.00           C  
ATOM     50  C   THR A   5       6.350   3.956   1.286  1.00  0.00           C  
ATOM     51  O   THR A   5       6.768   3.994   0.141  1.00  0.00           O  
ATOM     52  CB  THR A   5       4.839   1.985   1.534  1.00  0.00           C  
ATOM     53  OG1 THR A   5       4.706   2.040   0.121  1.00  0.00           O  
ATOM     54  CG2 THR A   5       3.705   2.774   2.188  1.00  0.00           C  
ATOM     55  OXT THR A   5       6.057   4.943   1.939  1.00  0.00           O  
ATOM     56  H   THR A   5       6.437   3.580   3.799  1.00  0.00           H  
ATOM     57  HA  THR A   5       6.976   1.938   1.599  1.00  0.00           H  
ATOM     58  HB  THR A   5       4.792   0.957   1.861  1.00  0.00           H  
ATOM     59  HG1 THR A   5       3.847   2.420  -0.081  1.00  0.00           H  
ATOM     60 HG21 THR A   5       2.929   2.961   1.460  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.086   3.715   2.557  1.00  0.00           H  
ATOM     62 HG23 THR A   5       3.296   2.204   3.010  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  N   DAL A   1       3.157   6.050   7.014  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.219   5.377   5.687  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.306   3.865   5.891  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.450   5.862   4.929  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.839   5.272   3.924  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.013   5.336   7.758  1.00  0.00           H  
HETATM    7  H   DAL A   1       4.046   6.559   7.187  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.367   6.726   7.024  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.331   5.613   5.121  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.627   3.396   4.973  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.336   3.482   6.172  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.060   6.935   5.418  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.248   7.481   4.773  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.406   6.492   4.867  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.177   6.334   3.920  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.656   8.808   5.426  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.673   9.173   6.543  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.946   8.304   7.774  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       5.860  10.645   6.916  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.708   7.362   6.225  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.028   7.660   3.732  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       7.650   8.714   5.842  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       6.654   9.589   4.680  1.00  0.00           H  
ATOM     24  HG  LEU A   2       4.662   9.012   6.202  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       5.316   8.626   8.589  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       6.982   8.402   8.061  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       5.735   7.271   7.543  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.315  10.857   7.825  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       5.485  11.269   6.119  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       6.909  10.847   7.069  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.519   5.827   6.012  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.586   4.856   6.217  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.052   3.429   6.135  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.780   2.471   6.396  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.875   5.993   6.732  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.343   4.996   5.459  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.025   5.012   7.191  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.779   3.293   5.775  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.169   1.973   5.669  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.698   1.701   4.243  1.00  0.00           C  
ATOM     41  O   CYS A   4       4.946   0.756   3.999  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.984   1.860   6.628  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.504   3.508   7.200  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.244   4.091   5.580  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.905   1.231   5.940  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.150   1.401   6.116  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.263   1.252   7.475  1.00  0.00           H  
ATOM     48  N   THR A   5       6.142   2.530   3.303  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.753   2.359   1.908  1.00  0.00           C  
ATOM     50  C   THR A   5       6.553   1.231   1.263  1.00  0.00           C  
ATOM     51  O   THR A   5       7.752   1.396   1.111  1.00  0.00           O  
ATOM     52  CB  THR A   5       5.981   3.659   1.131  1.00  0.00           C  
ATOM     53  OG1 THR A   5       5.438   4.750   1.861  1.00  0.00           O  
ATOM     54  CG2 THR A   5       5.298   3.567  -0.234  1.00  0.00           C  
ATOM     55  OXT THR A   5       5.955   0.221   0.933  1.00  0.00           O  
ATOM     56  H   THR A   5       6.741   3.265   3.551  1.00  0.00           H  
ATOM     57  HA  THR A   5       4.703   2.109   1.868  1.00  0.00           H  
ATOM     58  HB  THR A   5       7.039   3.812   0.989  1.00  0.00           H  
ATOM     59  HG1 THR A   5       4.746   4.411   2.433  1.00  0.00           H  
ATOM     60 HG21 THR A   5       4.643   4.415  -0.367  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.721   2.655  -0.288  1.00  0.00           H  
ATOM     62 HG23 THR A   5       6.047   3.564  -1.013  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  N   DAL A   1       3.047   6.046   6.918  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.187   5.363   5.600  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.327   3.857   5.823  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.418   5.902   4.880  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.788   5.413   3.813  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.537   5.490   7.649  1.00  0.00           H  
HETATM    7  H   DAL A   1       3.469   6.995   6.863  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.039   6.129   7.161  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.308   5.557   5.002  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.718   3.395   4.928  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.360   3.434   6.052  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.049   6.911   5.471  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.240   7.508   4.876  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.395   6.514   4.878  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.115   6.382   3.888  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.641   8.764   5.654  1.00  0.00           C  
ATOM     17  CG  LEU A   2       6.598   8.472   7.157  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       8.004   8.610   7.746  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       5.660   9.467   7.845  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.709   7.261   6.321  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.019   7.787   3.856  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       7.642   9.056   5.371  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       5.954   9.564   5.425  1.00  0.00           H  
ATOM     24  HG  LEU A   2       6.239   7.465   7.319  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       7.944   8.609   8.824  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       8.444   9.538   7.411  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       8.615   7.782   7.418  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       6.038  10.470   7.710  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       5.607   9.242   8.900  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       4.675   9.393   7.411  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.567   5.816   5.996  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.640   4.836   6.118  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.099   3.413   6.013  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.858   2.445   6.068  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.963   5.963   6.753  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.362   5.000   5.330  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.125   4.958   7.074  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.784   3.292   5.862  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.157   1.980   5.752  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.679   1.732   4.325  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.660   2.645   3.499  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.969   1.887   6.712  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.458   3.552   7.202  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.227   4.098   5.825  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.879   1.222   6.016  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.147   1.388   6.219  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.257   1.325   7.588  1.00  0.00           H  
ATOM     48  N   THR A   5       5.295   0.490   4.041  1.00  0.00           N  
ATOM     49  CA  THR A   5       4.817   0.135   2.709  1.00  0.00           C  
ATOM     50  C   THR A   5       3.350   0.518   2.550  1.00  0.00           C  
ATOM     51  O   THR A   5       2.988   0.964   1.473  1.00  0.00           O  
ATOM     52  CB  THR A   5       4.984  -1.368   2.476  1.00  0.00           C  
ATOM     53  OG1 THR A   5       4.214  -2.083   3.432  1.00  0.00           O  
ATOM     54  CG2 THR A   5       6.459  -1.748   2.617  1.00  0.00           C  
ATOM     55  OXT THR A   5       2.610   0.360   3.506  1.00  0.00           O  
ATOM     56  H   THR A   5       5.331  -0.196   4.739  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.401   0.669   1.975  1.00  0.00           H  
ATOM     58  HB  THR A   5       4.647  -1.618   1.483  1.00  0.00           H  
ATOM     59  HG1 THR A   5       4.741  -2.177   4.229  1.00  0.00           H  
ATOM     60 HG21 THR A   5       6.537  -2.794   2.879  1.00  0.00           H  
ATOM     61 HG22 THR A   5       6.912  -1.149   3.392  1.00  0.00           H  
ATOM     62 HG23 THR A   5       6.968  -1.572   1.681  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  N   DAL A   1       2.596   6.096   6.606  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       2.993   5.445   5.325  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.327   3.975   5.586  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.211   6.157   4.748  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.428   6.150   3.536  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.449   6.320   7.159  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.075   6.972   6.403  1.00  0.00           H  
HETATM    8  H3  DAL A   1       1.989   5.452   7.149  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.175   5.507   4.623  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.783   3.546   4.705  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.421   3.435   5.822  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.006   6.766   5.621  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.204   7.471   5.181  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.329   6.477   4.918  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.807   6.348   3.790  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.648   8.479   6.246  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.419   9.062   6.948  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.870   9.928   8.128  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       4.622   9.921   5.961  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.788   6.735   6.576  1.00  0.00           H  
ATOM     21  HA  LEU A   2       5.983   8.001   4.267  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       7.276   7.981   6.972  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.204   9.276   5.776  1.00  0.00           H  
ATOM     24  HG  LEU A   2       4.797   8.258   7.312  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       6.265  10.863   7.758  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       6.634   9.408   8.684  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       5.026  10.125   8.773  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.077   9.864   4.983  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       4.619  10.948   6.296  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       3.606   9.558   5.907  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.739   5.769   5.964  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.801   4.779   5.836  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.220   3.369   5.848  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.951   2.384   5.746  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.316   5.910   6.836  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.329   4.941   4.907  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.489   4.884   6.661  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.899   3.283   5.976  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.225   1.992   6.003  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.956   1.497   4.585  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.548   2.266   3.716  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.903   2.107   6.765  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.478   3.854   6.976  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.370   4.105   6.055  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.855   1.278   6.508  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.121   1.612   6.208  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.003   1.642   7.735  1.00  0.00           H  
ATOM     48  N   THR A   5       6.188   0.208   4.361  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.968  -0.380   3.045  1.00  0.00           C  
ATOM     50  C   THR A   5       4.494  -0.298   2.661  1.00  0.00           C  
ATOM     51  O   THR A   5       3.737  -1.141   3.112  1.00  0.00           O  
ATOM     52  CB  THR A   5       6.419  -1.844   3.046  1.00  0.00           C  
ATOM     53  OG1 THR A   5       6.713  -2.244   4.378  1.00  0.00           O  
ATOM     54  CG2 THR A   5       7.669  -1.999   2.178  1.00  0.00           C  
ATOM     55  OXT THR A   5       4.145   0.607   1.921  1.00  0.00           O  
ATOM     56  H   THR A   5       6.513  -0.358   5.092  1.00  0.00           H  
ATOM     57  HA  THR A   5       6.550   0.164   2.316  1.00  0.00           H  
ATOM     58  HB  THR A   5       5.631  -2.464   2.650  1.00  0.00           H  
ATOM     59  HG1 THR A   5       5.998  -1.942   4.943  1.00  0.00           H  
ATOM     60 HG21 THR A   5       7.962  -3.037   2.151  1.00  0.00           H  
ATOM     61 HG22 THR A   5       8.471  -1.408   2.595  1.00  0.00           H  
ATOM     62 HG23 THR A   5       7.455  -1.658   1.176  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  N   DAL A   1       3.145   5.987   6.975  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.220   5.381   5.616  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.293   3.859   5.741  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.461   5.904   4.898  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.870   5.364   3.871  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.318   5.605   7.478  1.00  0.00           H  
HETATM    7  H   DAL A   1       4.009   5.760   7.506  1.00  0.00           H  
HETATM    8  H3  DAL A   1       3.055   7.019   6.890  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.340   5.654   5.053  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.693   3.441   4.828  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.303   3.465   5.914  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.051   6.962   5.445  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.243   7.553   4.848  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.414   6.577   4.897  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.227   6.523   3.975  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.614   8.837   5.593  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.713   9.979   5.122  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.675  11.073   6.190  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       6.265  10.558   3.818  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.678   7.350   6.263  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.033   7.798   3.818  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.483   8.687   6.655  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.644   9.086   5.388  1.00  0.00           H  
ATOM     24  HG  LEU A   2       4.713   9.603   4.958  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       4.897  11.783   5.952  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       6.629  11.580   6.220  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       5.474  10.629   7.154  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       6.066   9.872   3.007  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       7.331  10.704   3.912  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       5.788  11.505   3.613  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.496   5.809   5.979  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.576   4.840   6.134  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.081   3.423   5.863  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.869   2.530   5.554  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.821   5.896   6.684  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.369   5.080   5.440  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       8.958   4.893   7.143  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.773   3.226   5.983  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.184   1.912   5.748  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.930   1.695   4.259  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.353   2.551   3.587  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.867   1.788   6.516  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.369   3.417   7.128  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.193   3.975   6.232  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.866   1.153   6.102  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.101   1.400   5.861  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       4.999   1.116   7.351  1.00  0.00           H  
ATOM     48  N   THR A   5       6.362   0.545   3.751  1.00  0.00           N  
ATOM     49  CA  THR A   5       6.176   0.226   2.339  1.00  0.00           C  
ATOM     50  C   THR A   5       6.472  -1.247   2.080  1.00  0.00           C  
ATOM     51  O   THR A   5       5.530  -1.996   1.884  1.00  0.00           O  
ATOM     52  CB  THR A   5       7.098   1.096   1.479  1.00  0.00           C  
ATOM     53  OG1 THR A   5       7.782   2.023   2.309  1.00  0.00           O  
ATOM     54  CG2 THR A   5       6.270   1.854   0.438  1.00  0.00           C  
ATOM     55  OXT THR A   5       7.639  -1.605   2.081  1.00  0.00           O  
ATOM     56  H   THR A   5       6.814  -0.099   4.335  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.150   0.430   2.068  1.00  0.00           H  
ATOM     58  HB  THR A   5       7.815   0.468   0.972  1.00  0.00           H  
ATOM     59  HG1 THR A   5       8.666   2.145   1.953  1.00  0.00           H  
ATOM     60 HG21 THR A   5       5.794   2.703   0.906  1.00  0.00           H  
ATOM     61 HG22 THR A   5       5.515   1.197   0.031  1.00  0.00           H  
ATOM     62 HG23 THR A   5       6.916   2.195  -0.357  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       11                                                                  
HETATM    1  N   DAL A   1       2.826   6.116   6.786  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.049   5.432   5.482  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.268   3.937   5.725  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.273   6.032   4.798  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.527   5.777   3.622  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.355   5.462   7.445  1.00  0.00           H  
HETATM    7  H   DAL A   1       3.739   6.412   7.185  1.00  0.00           H  
HETATM    8  H3  DAL A   1       2.228   6.954   6.641  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.184   5.570   4.852  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.638   3.475   4.821  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.333   3.477   6.008  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.026   6.834   5.544  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.221   7.468   4.998  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.362   6.462   4.889  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.953   6.293   3.822  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.648   8.634   5.894  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.472   9.596   6.075  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.887  10.743   7.000  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       5.064  10.163   4.714  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.774   7.002   6.476  1.00  0.00           H  
ATOM     21  HA  LEU A   2       5.996   7.851   4.014  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.955   8.254   6.857  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.472   9.158   5.434  1.00  0.00           H  
ATOM     24  HG  LEU A   2       4.638   9.066   6.512  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       5.056  11.422   7.125  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       6.722  11.271   6.565  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       6.175  10.344   7.962  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.948  10.350   4.122  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       4.524  11.088   4.857  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       4.432   9.452   4.202  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.667   5.795   5.998  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.742   4.808   6.011  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.183   3.391   5.950  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.935   2.417   5.937  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.164   5.970   6.820  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.386   4.973   5.159  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.317   4.922   6.918  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.859   3.284   5.913  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.211   1.979   5.854  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.894   1.602   4.410  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.440   0.491   4.135  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.919   2.000   6.673  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.476   3.713   7.055  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.309   4.094   5.926  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.875   1.239   6.272  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.124   1.541   6.104  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.066   1.453   7.593  1.00  0.00           H  
ATOM     48  N   THR A   5       6.139   2.532   3.494  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.876   2.287   2.081  1.00  0.00           C  
ATOM     50  C   THR A   5       6.294   3.491   1.243  1.00  0.00           C  
ATOM     51  O   THR A   5       6.308   4.586   1.781  1.00  0.00           O  
ATOM     52  CB  THR A   5       4.388   2.005   1.866  1.00  0.00           C  
ATOM     53  OG1 THR A   5       3.808   1.570   3.088  1.00  0.00           O  
ATOM     54  CG2 THR A   5       4.222   0.916   0.804  1.00  0.00           C  
ATOM     55  OXT THR A   5       6.595   3.301   0.075  1.00  0.00           O  
ATOM     56  H   THR A   5       6.502   3.398   3.773  1.00  0.00           H  
ATOM     57  HA  THR A   5       6.444   1.425   1.763  1.00  0.00           H  
ATOM     58  HB  THR A   5       3.894   2.904   1.532  1.00  0.00           H  
ATOM     59  HG1 THR A   5       3.164   2.228   3.361  1.00  0.00           H  
ATOM     60 HG21 THR A   5       4.409  -0.052   1.248  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.924   1.085   0.002  1.00  0.00           H  
ATOM     62 HG23 THR A   5       3.215   0.944   0.414  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       12                                                                  
HETATM    1  N   DAL A   1       3.426   5.788   7.266  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.447   5.364   5.839  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.276   3.846   5.758  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.776   5.770   5.209  1.00  0.00           C  
HETATM    5  O   DAL A   1       5.549   4.919   4.766  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.708   6.788   7.334  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.467   5.670   7.650  1.00  0.00           H  
HETATM    8  H3  DAL A   1       4.090   5.203   7.812  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.638   5.845   5.309  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.611   3.499   4.792  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.234   3.594   5.890  1.00  0.00           H  
ATOM     12  N   LEU A   2       5.034   7.073   5.173  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.274   7.578   4.595  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.434   6.641   4.913  1.00  0.00           C  
ATOM     15  O   LEU A   2       8.456   6.646   4.225  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.575   8.973   5.148  1.00  0.00           C  
ATOM     17  CG  LEU A   2       7.969   9.412   4.696  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       7.946  10.902   4.346  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       8.970   9.171   5.828  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.381   7.704   5.541  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.160   7.645   3.524  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       5.839   9.673   4.778  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       6.540   8.949   6.226  1.00  0.00           H  
ATOM     24  HG  LEU A   2       8.261   8.844   3.826  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       8.945  11.228   4.095  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       7.587  11.466   5.194  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       7.291  11.064   3.503  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       8.612   9.644   6.731  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       9.928   9.590   5.557  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       9.075   8.109   5.995  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.270   5.837   5.958  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.312   4.899   6.359  1.00  0.00           C  
ATOM     33  C   GLY A   3       7.951   3.472   5.956  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.829   2.653   5.685  1.00  0.00           O  
ATOM     35  H   GLY A   3       6.436   5.876   6.470  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.242   5.178   5.884  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       8.434   4.940   7.431  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.654   3.180   5.922  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.191   1.846   5.554  1.00  0.00           C  
ATOM     40  C   CYS A   4       6.175   1.678   4.037  1.00  0.00           C  
ATOM     41  O   CYS A   4       6.796   0.760   3.499  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.786   1.608   6.114  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.259   3.059   7.059  1.00  0.00           S  
ATOM     44  H   CYS A   4       5.998   3.872   6.150  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.862   1.116   5.978  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.097   1.435   5.301  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       4.801   0.743   6.761  1.00  0.00           H  
ATOM     48  N   THR A   5       5.464   2.567   3.353  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.376   2.503   1.899  1.00  0.00           C  
ATOM     50  C   THR A   5       6.165   3.642   1.262  1.00  0.00           C  
ATOM     51  O   THR A   5       6.746   3.419   0.212  1.00  0.00           O  
ATOM     52  CB  THR A   5       3.912   2.583   1.459  1.00  0.00           C  
ATOM     53  OG1 THR A   5       3.850   2.674   0.042  1.00  0.00           O  
ATOM     54  CG2 THR A   5       3.255   3.818   2.080  1.00  0.00           C  
ATOM     55  OXT THR A   5       6.176   4.720   1.833  1.00  0.00           O  
ATOM     56  H   THR A   5       4.989   3.277   3.834  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.788   1.562   1.564  1.00  0.00           H  
ATOM     58  HB  THR A   5       3.388   1.699   1.786  1.00  0.00           H  
ATOM     59  HG1 THR A   5       4.375   1.958  -0.323  1.00  0.00           H  
ATOM     60 HG21 THR A   5       3.997   4.388   2.620  1.00  0.00           H  
ATOM     61 HG22 THR A   5       2.477   3.508   2.760  1.00  0.00           H  
ATOM     62 HG23 THR A   5       2.828   4.430   1.299  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       13                                                                  
HETATM    1  N   DAL A   1       2.433   6.194   6.233  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.070   5.392   5.150  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.273   3.956   5.636  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.413   6.012   4.784  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.986   5.702   3.739  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.135   6.394   6.974  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.079   7.089   5.840  1.00  0.00           H  
HETATM    8  H3  DAL A   1       1.640   5.660   6.640  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.427   5.389   4.282  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.656   3.352   4.826  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.330   3.552   5.972  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.913   6.888   5.650  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.193   7.540   5.403  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.230   6.515   4.955  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.533   6.403   3.768  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.677   8.239   6.678  1.00  0.00           C  
ATOM     17  CG  LEU A   2       6.898   9.728   6.399  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       7.816   9.891   5.185  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       5.549  10.397   6.116  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.414   7.095   6.467  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.067   8.276   4.624  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       5.934   8.124   7.454  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.606   7.795   7.002  1.00  0.00           H  
ATOM     24  HG  LEU A   2       7.356  10.190   7.261  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       8.221   8.930   4.908  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       8.623  10.565   5.433  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       7.251  10.295   4.358  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       5.596  10.915   5.168  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       5.328  11.105   6.901  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       4.774   9.647   6.078  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.765   5.767   5.915  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.763   4.750   5.609  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.153   3.354   5.676  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.815   2.361   5.374  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.482   5.900   6.843  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.152   4.922   4.615  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.570   4.817   6.323  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.888   3.286   6.077  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.197   2.005   6.184  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.928   1.420   4.802  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.999   2.123   3.794  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.872   2.185   6.929  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.456   3.944   7.006  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.410   4.111   6.308  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.817   1.319   6.740  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.092   1.653   6.407  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       4.967   1.793   7.932  1.00  0.00           H  
ATOM     48  N   THR A   5       5.618   0.128   4.765  1.00  0.00           N  
ATOM     49  CA  THR A   5       5.337  -0.546   3.502  1.00  0.00           C  
ATOM     50  C   THR A   5       3.942  -1.164   3.526  1.00  0.00           C  
ATOM     51  O   THR A   5       3.827  -2.331   3.190  1.00  0.00           O  
ATOM     52  CB  THR A   5       6.376  -1.641   3.250  1.00  0.00           C  
ATOM     53  OG1 THR A   5       6.051  -2.332   2.051  1.00  0.00           O  
ATOM     54  CG2 THR A   5       6.380  -2.623   4.422  1.00  0.00           C  
ATOM     55  OXT THR A   5       3.011  -0.461   3.882  1.00  0.00           O  
ATOM     56  H   THR A   5       5.576  -0.381   5.601  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.388   0.174   2.701  1.00  0.00           H  
ATOM     58  HB  THR A   5       7.354  -1.196   3.155  1.00  0.00           H  
ATOM     59  HG1 THR A   5       5.150  -2.654   2.129  1.00  0.00           H  
ATOM     60 HG21 THR A   5       7.398  -2.816   4.727  1.00  0.00           H  
ATOM     61 HG22 THR A   5       5.913  -3.549   4.117  1.00  0.00           H  
ATOM     62 HG23 THR A   5       5.831  -2.198   5.249  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       14                                                                  
HETATM    1  N   DAL A   1       2.534   6.192   6.449  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.036   5.383   5.303  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.269   3.943   5.765  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.341   5.984   4.793  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.786   5.678   3.687  1.00  0.00           O  
HETATM    6  H2  DAL A   1       3.340   6.521   7.021  1.00  0.00           H  
HETATM    7  H   DAL A   1       2.007   7.013   6.091  1.00  0.00           H  
HETATM    8  H3  DAL A   1       1.905   5.609   7.037  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.303   5.392   4.510  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.632   3.355   4.934  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.340   3.525   6.123  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.950   6.841   5.606  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.205   7.478   5.226  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.264   6.425   4.917  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.593   6.183   3.756  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.696   8.382   6.359  1.00  0.00           C  
ATOM     17  CG  LEU A   2       5.940   9.711   6.318  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       4.443   9.452   6.493  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       6.434  10.613   7.451  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.549   7.046   6.476  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.041   8.080   4.345  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       6.523   7.897   7.308  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.754   8.569   6.237  1.00  0.00           H  
ATOM     24  HG  LEU A   2       6.113  10.195   5.368  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       4.298   8.590   7.128  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       3.994   9.268   5.528  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       3.979  10.314   6.948  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       6.043  11.611   7.313  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       7.514  10.644   7.442  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       6.094  10.221   8.398  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.793   5.801   5.964  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.812   4.773   5.793  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.198   3.382   5.882  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.911   2.377   5.902  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.491   6.034   6.867  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.281   4.895   4.827  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.558   4.880   6.566  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.872   3.329   5.937  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.170   2.053   6.024  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.703   1.603   4.644  1.00  0.00           C  
ATOM     41  O   CYS A   4       5.697   2.386   3.693  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.962   2.185   6.955  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.494   3.927   7.097  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.356   4.162   5.918  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.841   1.311   6.426  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.134   1.622   6.552  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.217   1.800   7.932  1.00  0.00           H  
ATOM     48  N   THR A   5       5.313   0.337   4.540  1.00  0.00           N  
ATOM     49  CA  THR A   5       4.846  -0.209   3.271  1.00  0.00           C  
ATOM     50  C   THR A   5       4.462  -1.676   3.429  1.00  0.00           C  
ATOM     51  O   THR A   5       4.237  -2.322   2.418  1.00  0.00           O  
ATOM     52  CB  THR A   5       5.942  -0.079   2.210  1.00  0.00           C  
ATOM     53  OG1 THR A   5       6.958   0.795   2.686  1.00  0.00           O  
ATOM     54  CG2 THR A   5       5.343   0.486   0.920  1.00  0.00           C  
ATOM     55  OXT THR A   5       4.398  -2.133   4.558  1.00  0.00           O  
ATOM     56  H   THR A   5       5.340  -0.241   5.332  1.00  0.00           H  
ATOM     57  HA  THR A   5       3.980   0.347   2.948  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.368  -1.049   2.009  1.00  0.00           H  
ATOM     59  HG1 THR A   5       7.138   0.569   3.602  1.00  0.00           H  
ATOM     60 HG21 THR A   5       4.762   1.367   1.149  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.707  -0.257   0.464  1.00  0.00           H  
ATOM     62 HG23 THR A   5       6.139   0.746   0.238  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
MODEL       15                                                                  
HETATM    1  N   DAL A   1       2.462   6.219   6.322  1.00  0.00           N1+
HETATM    2  CA  DAL A   1       3.040   5.391   5.226  1.00  0.00           C  
HETATM    3  CB  DAL A   1       3.246   3.960   5.726  1.00  0.00           C  
HETATM    4  C   DAL A   1       4.374   5.988   4.790  1.00  0.00           C  
HETATM    5  O   DAL A   1       4.894   5.659   3.724  1.00  0.00           O  
HETATM    6  H2  DAL A   1       2.221   5.607   7.128  1.00  0.00           H  
HETATM    7  H   DAL A   1       3.158   6.931   6.623  1.00  0.00           H  
HETATM    8  H3  DAL A   1       1.606   6.699   5.981  1.00  0.00           H  
HETATM    9  HA  DAL A   1       2.360   5.384   4.386  1.00  0.00           H  
HETATM   10  HB1 DAL A   1       3.584   3.339   4.910  1.00  0.00           H  
HETATM   11  HB2 DAL A   1       2.313   3.575   6.109  1.00  0.00           H  
ATOM     12  N   LEU A   2       4.923   6.867   5.623  1.00  0.00           N  
ATOM     13  CA  LEU A   2       6.198   7.504   5.314  1.00  0.00           C  
ATOM     14  C   LEU A   2       7.242   6.458   4.935  1.00  0.00           C  
ATOM     15  O   LEU A   2       7.541   6.264   3.757  1.00  0.00           O  
ATOM     16  CB  LEU A   2       6.688   8.304   6.524  1.00  0.00           C  
ATOM     17  CG  LEU A   2       7.033   9.731   6.094  1.00  0.00           C  
ATOM     18  CD1 LEU A   2       5.745  10.537   5.914  1.00  0.00           C  
ATOM     19  CD2 LEU A   2       7.900  10.391   7.169  1.00  0.00           C  
ATOM     20  H   LEU A   2       4.463   7.091   6.459  1.00  0.00           H  
ATOM     21  HA  LEU A   2       6.060   8.178   4.482  1.00  0.00           H  
ATOM     22  HB2 LEU A   2       5.911   8.332   7.274  1.00  0.00           H  
ATOM     23  HB3 LEU A   2       7.568   7.832   6.935  1.00  0.00           H  
ATOM     24  HG  LEU A   2       7.574   9.704   5.159  1.00  0.00           H  
ATOM     25 HD11 LEU A   2       5.035   9.957   5.343  1.00  0.00           H  
ATOM     26 HD12 LEU A   2       5.965  11.455   5.389  1.00  0.00           H  
ATOM     27 HD13 LEU A   2       5.326  10.767   6.882  1.00  0.00           H  
ATOM     28 HD21 LEU A   2       8.824   9.843   7.273  1.00  0.00           H  
ATOM     29 HD22 LEU A   2       7.370  10.386   8.110  1.00  0.00           H  
ATOM     30 HD23 LEU A   2       8.115  11.410   6.882  1.00  0.00           H  
ATOM     31  N   GLY A   3       7.791   5.786   5.942  1.00  0.00           N  
ATOM     32  CA  GLY A   3       8.800   4.760   5.703  1.00  0.00           C  
ATOM     33  C   GLY A   3       8.192   3.365   5.797  1.00  0.00           C  
ATOM     34  O   GLY A   3       8.897   2.362   5.693  1.00  0.00           O  
ATOM     35  H   GLY A   3       7.513   5.983   6.861  1.00  0.00           H  
ATOM     36  HA2 GLY A   3       9.220   4.900   4.717  1.00  0.00           H  
ATOM     37  HA3 GLY A   3       9.583   4.854   6.440  1.00  0.00           H  
ATOM     38  N   CYS A   4       6.879   3.310   5.995  1.00  0.00           N  
ATOM     39  CA  CYS A   4       6.185   2.032   6.103  1.00  0.00           C  
ATOM     40  C   CYS A   4       5.823   1.501   4.718  1.00  0.00           C  
ATOM     41  O   CYS A   4       4.752   0.926   4.521  1.00  0.00           O  
ATOM     42  CB  CYS A   4       4.916   2.199   6.943  1.00  0.00           C  
ATOM     43  SG  CYS A   4       4.487   3.955   7.043  1.00  0.00           S  
ATOM     44  H   CYS A   4       6.368   4.143   6.071  1.00  0.00           H  
ATOM     45  HA  CYS A   4       6.834   1.321   6.592  1.00  0.00           H  
ATOM     46  HB2 CYS A   4       4.104   1.656   6.485  1.00  0.00           H  
ATOM     47  HB3 CYS A   4       5.090   1.815   7.937  1.00  0.00           H  
ATOM     48  N   THR A   5       6.725   1.696   3.762  1.00  0.00           N  
ATOM     49  CA  THR A   5       6.491   1.232   2.399  1.00  0.00           C  
ATOM     50  C   THR A   5       7.802   0.808   1.745  1.00  0.00           C  
ATOM     51  O   THR A   5       8.720   1.612   1.728  1.00  0.00           O  
ATOM     52  CB  THR A   5       5.842   2.344   1.572  1.00  0.00           C  
ATOM     53  OG1 THR A   5       4.639   2.759   2.203  1.00  0.00           O  
ATOM     54  CG2 THR A   5       5.531   1.824   0.168  1.00  0.00           C  
ATOM     55  OXT THR A   5       7.869  -0.314   1.271  1.00  0.00           O  
ATOM     56  H   THR A   5       7.562   2.159   3.976  1.00  0.00           H  
ATOM     57  HA  THR A   5       5.823   0.384   2.427  1.00  0.00           H  
ATOM     58  HB  THR A   5       6.519   3.181   1.500  1.00  0.00           H  
ATOM     59  HG1 THR A   5       4.870   3.181   3.034  1.00  0.00           H  
ATOM     60 HG21 THR A   5       5.347   2.658  -0.492  1.00  0.00           H  
ATOM     61 HG22 THR A   5       4.656   1.193   0.204  1.00  0.00           H  
ATOM     62 HG23 THR A   5       6.372   1.253  -0.199  1.00  0.00           H  
TER      63      THR A   5                                                      
ENDMDL                                                                          
CONECT    1    2    6    7                                                      
CONECT    2    1    3    4    9                                                 
CONECT    3    2   10   11   43                                                 
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   43    3                                                                
MASTER      127    0    1    0    0    0    0    6   31    1   12    1          
END