HEADER    DE NOVO PROTEIN                         17-SEP-15   2N7T              
TITLE     NMR STRUCTURE OF PEPTIDE PG-992 IN DPC MICELLES                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PEPTIDE PG-992;                                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630                                                
KEYWDS    DE NOVO PROTEIN                                                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    A.CAROTENUTO,F.MERLINO,M.CHAI,D.BRANCACCIO,A.YOUSIF,E.NOVELLINO,      
AUTHOR   2 V.HRUBY,P.GRIECO                                                     
REVDAT   3   11-OCT-17 2N7T    1       SOURCE                                   
REVDAT   2   06-JAN-16 2N7T    1       JRNL                                     
REVDAT   1   16-DEC-15 2N7T    0                                                
JRNL        AUTH   A.CAROTENUTO,F.MERLINO,M.CAI,D.BRANCACCIO,A.M.YOUSIF,        
JRNL        AUTH 2 E.NOVELLINO,V.J.HRUBY,P.GRIECO                               
JRNL        TITL   DISCOVERY OF NOVEL POTENT AND SELECTIVE AGONISTS AT THE      
JRNL        TITL 2 MELANOCORTIN-3 RECEPTOR.                                     
JRNL        REF    J.MED.CHEM.                   V.  58  9773 2015              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   26599352                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.5B01285                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XEASY, CYANA                                         
REMARK   3   AUTHORS     : BARTELS ET AL. (XEASY), GUNTERT, MUMENTHALER AND     
REMARK   3                 WUTHRICH (CYANA)                                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2N7T COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000104530.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298.0                              
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 10                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2 MM PG, 200 MM [U-2H] DPC, 90%    
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D 1H-1H TOCSY;    
REMARK 210                                   2D DQF-COSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA                              
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : BACK CALCULATED DATA AGREE WITH    
REMARK 210                                   EXPERIMENTAL NOESY SPECTRUM        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  1 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  2 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.3 DEGREES          
REMARK 500  2 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500  3 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.5 DEGREES          
REMARK 500  3 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500  4 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500  5 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500  5 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500  6 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.4 DEGREES          
REMARK 500  6 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500  7 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500  8 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500  8 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500  9 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500  9 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500 10 ARG A   9   NE  -  CZ  -  NH1 ANGL. DEV. =   4.3 DEGREES          
REMARK 500 10 ARG A   9   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 4J2 A   8       55.76    132.07                                   
REMARK 500  2 4J2 A   8       54.82    133.95                                   
REMARK 500  3 4J2 A   8       58.56    137.65                                   
REMARK 500  4 4J2 A   8       55.89    135.55                                   
REMARK 500  5 4J2 A   8       59.02    137.00                                   
REMARK 500  6 PRO A   7       49.24    -94.73                                   
REMARK 500  6 4J2 A   8       64.13     98.68                                   
REMARK 500  7 4J2 A   8       54.55    137.38                                   
REMARK 500  8 4J2 A   8       66.64    132.46                                   
REMARK 500  9 4J2 A   8       56.58    134.05                                   
REMARK 500 10 4J2 A   8       57.56    138.70                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25820   RELATED DB: BMRB                                 
DBREF  2N7T A    3    12  PDB    2N7T     2N7T             3     12             
SEQRES   1 A   10  ACE NLE ASP TRP PRO 4J2 ARG TRP LYS NH2                      
MODRES 2N7T NLE A    4  LEU  NORLEUCINE                                         
HET    ACE  A   3       6                                                       
HET    NLE  A   4      19                                                       
HET    4J2  A   8      26                                                       
HET    NH2  A  12       3                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     NLE NORLEUCINE                                                       
HETNAM     4J2 (2R)-2-AMINO-3-(NAPHTHALEN-2-YL)PROPANOIC ACID                   
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  ACE    C2 H4 O                                                      
FORMUL   1  NLE    C6 H13 N O2                                                  
FORMUL   1  4J2    C13 H13 N O2                                                 
FORMUL   1  NH2    H2 N                                                         
LINK         C   ACE A   3                 N   NLE A   4     1555   1555  1.33  
LINK         C   NLE A   4                 N   ASP A   5     1555   1555  1.34  
LINK         C   4J2 A   8                 N   ARG A   9     1555   1555  1.34  
LINK         C   LYS A  11                 N   NH2 A  12     1555   1555  1.32  
LINK         C   PRO A   7                 N   4J2 A   8     1555   1555  1.34  
LINK         CG  ASP A   5                 NZ  LYS A  11     1555   1555  1.34  
CISPEP   1 TRP A    6    PRO A    7          1        11.38                     
CISPEP   2 TRP A    6    PRO A    7          2        11.00                     
CISPEP   3 TRP A    6    PRO A    7          3         9.54                     
CISPEP   4 TRP A    6    PRO A    7          4         8.14                     
CISPEP   5 TRP A    6    PRO A    7          5         9.11                     
CISPEP   6 TRP A    6    PRO A    7          6         8.91                     
CISPEP   7 TRP A    6    PRO A    7          7         8.81                     
CISPEP   8 TRP A    6    PRO A    7          8         8.93                     
CISPEP   9 TRP A    6    PRO A    7          9        10.15                     
CISPEP  10 TRP A    6    PRO A    7         10         9.38                     
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  C   ACE A   3       0.411  -4.349   1.353  1.00  1.42           C  
HETATM    2  O   ACE A   3       0.401  -4.026   0.166  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.776  -5.761   1.770  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.829  -6.425   0.890  1.00 11.05           H  
HETATM    5  H2  ACE A   3       1.762  -5.785   2.267  1.00 31.00           H  
HETATM    6  H3  ACE A   3       0.028  -6.194   2.459  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.117  -3.511   2.346  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.287  -2.099   2.116  1.00 22.54           C  
HETATM    9  C   NLE A   4       0.927  -1.128   1.976  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.719  -0.927   2.902  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.316  -1.661   3.185  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -0.895  -1.673   4.678  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -2.082  -1.606   5.658  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.798  -0.249   5.694  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.115  -3.924   3.280  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.866  -2.077   1.170  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -2.215  -2.281   3.042  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.665  -0.646   2.936  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -0.182  -0.849   4.880  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.327  -2.595   4.900  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -1.714  -1.835   6.676  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -2.808  -2.408   5.424  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -2.115   0.560   6.010  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -3.209   0.034   4.706  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.643  -0.258   6.406  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.043  -0.525   0.788  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.189   0.345   0.406  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.718   1.826   0.249  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.756   2.113  -0.472  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.805  -0.221  -0.903  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.748  -1.418  -0.709  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.957  -1.222  -0.580  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.287  -0.772   0.128  1.00 62.10           H  
ATOM     34  HA  ASP A   5       2.978   0.312   1.188  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       2.026  -0.455  -1.653  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.405   0.567  -1.390  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.399   2.764   0.936  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.976   4.194   1.031  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.886   4.949  -0.356  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.838   4.837  -1.139  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.962   4.881   2.022  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.611   6.326   2.421  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.947   7.486   1.687  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.828   6.772   3.473  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       2.392   8.648   2.256  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.699   8.181   3.358  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       1.156   6.073   4.506  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.897   8.897   4.275  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6       0.374   6.803   5.404  1.00  0.00           C  
ATOM     50  CH2 TRP A   6       0.246   8.192   5.291  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.208   2.411   1.456  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.979   4.187   1.509  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       3.039   4.285   2.953  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.985   4.869   1.598  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.483   7.474   0.748  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       2.450   9.615   1.917  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       1.239   5.002   4.596  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.783   9.968   4.187  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.145   6.287   6.198  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -0.372   8.729   5.998  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.805   5.717  -0.707  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.285   6.135   0.238  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.522   5.197   0.483  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.486   5.628   1.118  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.660   7.500  -0.373  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.480   7.326  -1.882  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.774   6.460  -1.986  1.00 50.35           C  
ATOM     68  HA  PRO A   7       0.119   6.341   1.243  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.675   7.843  -0.098  1.00  0.00           H  
ATOM     70  HB3 PRO A   7       0.031   8.281   0.003  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.352   6.797  -2.315  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.380   8.289  -2.417  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.735   5.782  -2.859  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.680   7.090  -2.094  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.483   3.928   0.048  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.541   2.913   0.339  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.045   1.893   1.415  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.688   2.401   2.818  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.637   3.079   3.579  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.441   2.102   3.369  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.355   3.482   4.880  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.116   3.184   5.451  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -0.816   3.538   6.767  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8       0.421   3.213   7.315  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.136   2.474   4.675  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       1.095   2.153   5.250  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.369   2.525   6.562  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.115   4.008   5.441  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.996   2.132  -0.936  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.844   1.607   4.692  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.192   2.034  -1.217  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       2.323   2.274   7.002  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.583   3.663  -0.374  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.454   3.407   0.725  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.815   1.114   1.540  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.190   1.328   1.001  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.604   3.270   3.140  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.275   1.547   2.782  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -1.535   4.068   7.378  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.647   3.493   8.334  1.00  0.00           H  
ATOM    101  N   ARG A   9      -2.041   1.501  -1.640  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.296   0.379  -2.571  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.972  -0.983  -1.882  1.00  0.00           C  
ATOM    104  O   ARG A   9      -1.003  -1.109  -1.123  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.454   0.600  -3.856  1.00  0.00           C  
ATOM    106  CG  ARG A   9       0.091   0.571  -3.712  1.00  0.00           C  
ATOM    107  CD  ARG A   9       0.856   1.072  -4.950  1.00  0.00           C  
ATOM    108  NE  ARG A   9       2.313   1.169  -4.659  1.00  0.00           N  
ATOM    109  CZ  ARG A   9       2.907   2.159  -3.988  1.00  0.00           C  
ATOM    110  NH1 ARG A   9       2.273   3.189  -3.495  1.00  0.00           N  
ATOM    111  NH2 ARG A   9       4.184   2.081  -3.804  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.112   1.604  -1.218  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.363   0.386  -2.877  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -1.743  -0.168  -4.587  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -1.784   1.547  -4.315  1.00  0.00           H  
ATOM    116  HG2 ARG A   9       0.386   1.179  -2.836  1.00  0.00           H  
ATOM    117  HG3 ARG A   9       0.429  -0.454  -3.466  1.00  0.00           H  
ATOM    118  HD2 ARG A   9       0.706   0.372  -5.795  1.00  0.00           H  
ATOM    119  HD3 ARG A   9       0.461   2.043  -5.310  1.00  0.00           H  
ATOM    120 HH11 ARG A   9       1.264   3.137  -3.639  1.00  0.00           H  
ATOM    121 HH12 ARG A   9       2.796   3.829  -2.887  1.00  0.00           H  
ATOM    122 HH21 ARG A   9       4.594   1.245  -4.226  1.00  0.00           H  
ATOM    123 HH22 ARG A   9       4.634   2.843  -3.295  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.762  -2.015  -2.195  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.469  -3.402  -1.752  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.660  -4.154  -2.854  1.00  0.00           C  
ATOM    127  O   TRP A  10      -2.142  -4.365  -3.971  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.810  -4.082  -1.399  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.650  -5.454  -0.749  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.703  -6.669  -1.443  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.374  -5.775   0.561  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.459  -7.768  -0.593  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.263  -7.184   0.652  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.196  -4.961   1.704  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -2.980  -7.792   1.898  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.924  -5.580   2.925  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.819  -6.975   3.022  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.418  -1.824  -2.958  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.883  -3.373  -0.810  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.387  -3.450  -0.707  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.438  -4.170  -2.303  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.881  -6.698  -2.507  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.461  -8.767  -0.825  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.259  -3.885   1.616  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -2.895  -8.865   1.980  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.786  -4.973   3.808  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.605  -7.427   3.980  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.434  -4.565  -2.511  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.497  -5.226  -3.473  1.00  4.20           C  
ATOM    150  C   LYS A  11       0.318  -6.767  -3.698  1.00 11.04           C  
ATOM    151  O   LYS A  11       0.616  -7.286  -4.770  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.941  -4.773  -3.131  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.664  -5.503  -1.975  1.00 44.10           C  
ATOM    154  CD  LYS A  11       4.005  -4.851  -1.561  1.00 33.11           C  
ATOM    155  CE  LYS A  11       3.946  -3.865  -0.376  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.186  -2.629  -0.674  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.146  -4.289  -1.558  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.308  -4.790  -4.472  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       2.556  -4.891  -4.039  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       1.949  -3.680  -2.950  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       1.993  -5.594  -1.102  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       2.853  -6.546  -2.295  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.698  -5.664  -1.271  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       4.500  -4.373  -2.430  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       3.482  -4.366   0.495  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       4.980  -3.640  -0.045  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.160  -2.618  -0.701  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.141  -7.568  -2.752  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -0.533  -7.108  -1.925  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -0.276  -8.534  -3.063  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  C   ACE A   3       0.141  -4.605   1.801  1.00  1.42           C  
HETATM    2  O   ACE A   3      -0.286  -4.632   0.648  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.647  -5.868   2.467  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.543  -6.731   1.786  1.00 11.05           H  
HETATM    5  H2  ACE A   3       1.716  -5.783   2.736  1.00 31.00           H  
HETATM    6  H3  ACE A   3       0.071  -6.102   3.381  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.190  -3.503   2.548  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.288  -2.178   2.069  1.00 22.54           C  
HETATM    9  C   NLE A   4       0.928  -1.229   1.818  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.707  -0.922   2.727  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.255  -1.555   3.106  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -2.548  -2.332   3.447  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -3.391  -1.714   4.577  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -4.084  -0.394   4.209  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.535  -3.633   3.501  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.870  -2.293   1.130  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.569  -0.575   2.720  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -0.692  -1.328   4.025  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -2.275  -3.359   3.753  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -3.169  -2.449   2.539  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -2.766  -1.570   5.480  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -4.166  -2.444   4.878  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -3.353   0.411   4.022  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -4.712  -0.493   3.304  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -4.741  -0.043   5.027  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.059  -0.738   0.580  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.131   0.214   0.176  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.608   1.686   0.167  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.574   1.985  -0.441  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.653  -0.205  -1.227  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.756  -1.273  -1.208  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.806  -1.046  -0.605  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.242  -0.924  -0.022  1.00 62.10           H  
ATOM     34  HA  ASP A   5       2.979   0.152   0.892  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.816  -0.482  -1.897  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.109   0.669  -1.726  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.349   2.606   0.814  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.990   4.055   0.895  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.855   4.767  -0.512  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.736   4.552  -1.354  1.00  0.00           O  
ATOM     41  CB  TRP A   6       3.069   4.718   1.803  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.792   6.174   2.208  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       3.127   7.319   1.450  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       2.085   6.650   3.299  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       2.644   8.502   2.042  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.998   8.062   3.185  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       1.446   5.978   4.371  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       1.271   8.809   4.140  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6       0.739   6.738   5.306  1.00  0.00           C  
ATOM     50  CH2 TRP A   6       0.652   8.130   5.192  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.217   2.246   1.222  1.00  0.00           H  
ATOM     52  HA  TRP A   6       1.025   4.111   1.432  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       3.195   4.130   2.733  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       4.059   4.667   1.306  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.609   7.285   0.483  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       2.714   9.464   1.694  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       1.496   4.904   4.462  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       1.188   9.882   4.051  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6       0.246   6.242   6.129  1.00  0.00           H  
ATOM     60  HH2 TRP A   6       0.093   8.690   5.928  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.810   5.595  -0.826  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.194   6.121   0.159  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.448   5.256   0.544  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.323   5.741   1.266  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.563   7.452  -0.526  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.499   7.161  -2.027  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.708   6.233  -2.156  1.00 50.35           C  
ATOM     68  HA  PRO A   7       0.287   6.374   1.118  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.543   7.855  -0.208  1.00  0.00           H  
ATOM     70  HB3 PRO A   7       0.182   8.228  -0.259  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.419   6.642  -2.358  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.401   8.077  -2.639  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.574   5.484  -2.962  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.628   6.807  -2.385  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.516   3.991   0.112  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.608   3.035   0.464  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.116   2.001   1.526  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.625   2.491   2.896  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.464   3.249   3.710  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.379   2.081   3.372  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.076   3.606   4.999  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -0.840   3.192   5.496  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -0.430   3.516   6.791  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8       0.814   3.098   7.257  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8       0.033   2.414   4.660  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       1.271   2.000   5.153  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.657   2.346   6.443  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -2.753   4.194   5.604  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -3.135   2.264  -0.791  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.942   1.407   4.545  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.341   2.211  -1.038  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       2.618   2.024   6.819  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.677   3.687  -0.399  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.480   3.579   0.879  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.931   1.283   1.710  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.335   1.365   1.070  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.427   3.543   3.325  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.252   1.473   2.741  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -1.065   4.097   7.445  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       1.126   3.356   8.259  1.00  0.00           H  
ATOM    101  N   ARG A   9      -2.219   1.604  -1.518  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.520   0.544  -2.501  1.00  0.00           C  
ATOM    103  C   ARG A   9      -2.094  -0.851  -1.943  1.00  0.00           C  
ATOM    104  O   ARG A   9      -1.156  -0.981  -1.146  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.812   0.911  -3.832  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -0.259   1.004  -3.848  1.00  0.00           C  
ATOM    107  CD  ARG A   9       0.343   1.501  -5.178  1.00  0.00           C  
ATOM    108  NE  ARG A   9       0.232   2.978  -5.326  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -0.649   3.630  -6.084  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -1.573   3.057  -6.809  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -0.577   4.922  -6.096  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.274   1.671  -1.126  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.611   0.519  -2.703  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -2.118   0.174  -4.585  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -2.245   1.862  -4.189  1.00  0.00           H  
ATOM    116  HG2 ARG A   9       0.101   1.656  -3.028  1.00  0.00           H  
ATOM    117  HG3 ARG A   9       0.159   0.005  -3.618  1.00  0.00           H  
ATOM    118  HD2 ARG A   9       1.422   1.256  -5.186  1.00  0.00           H  
ATOM    119  HD3 ARG A   9      -0.065   0.943  -6.043  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -1.574   2.038  -6.745  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -2.189   3.667  -7.347  1.00  0.00           H  
ATOM    122 HH21 ARG A   9       0.192   5.271  -5.520  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -1.237   5.433  -6.681  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.776  -1.911  -2.390  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.447  -3.300  -1.979  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.302  -3.914  -2.852  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.283  -3.792  -4.081  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.772  -4.102  -2.015  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.663  -5.519  -1.458  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.615  -6.677  -2.243  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.508  -5.937  -0.153  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.420  -7.834  -1.460  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.358  -7.345  -0.161  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.448  -5.210   1.061  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.147  -8.040   1.053  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -3.246  -5.916   2.247  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -3.096  -7.310   2.244  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.404  -1.714  -3.174  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -2.118  -3.282  -0.918  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.554  -3.582  -1.435  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.163  -4.139  -3.047  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.682  -6.632  -3.320  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.372  -8.812  -1.765  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.529  -4.132   1.058  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.024  -9.113   1.058  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -3.188  -5.374   3.178  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.932  -7.829   3.178  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.361  -4.602  -2.190  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.830  -5.202  -2.836  1.00  4.20           C  
ATOM    150  C   LYS A  11       0.576  -6.514  -3.653  1.00 11.04           C  
ATOM    151  O   LYS A  11       1.079  -6.676  -4.760  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.844  -5.364  -1.671  1.00 41.10           C  
ATOM    153  CG  LYS A  11       3.284  -5.742  -2.059  1.00 44.10           C  
ATOM    154  CD  LYS A  11       4.103  -4.674  -2.822  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.568  -3.457  -1.998  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.537  -2.401  -1.889  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.430  -4.604  -1.160  1.00 20.44           H  
ATOM    158  HA  LYS A  11       1.251  -4.465  -3.544  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.893  -4.444  -1.055  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       1.463  -6.134  -0.974  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       3.820  -6.017  -1.131  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       3.247  -6.671  -2.655  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       5.015  -5.179  -3.197  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       3.583  -4.355  -3.746  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       4.903  -3.781  -0.991  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.471  -3.027  -2.477  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.612  -2.476  -2.322  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.164  -7.502  -3.176  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -0.299  -8.265  -3.843  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -0.709  -7.292  -2.333  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  C   ACE A   3       0.562  -4.637   1.352  1.00  1.42           C  
HETATM    2  O   ACE A   3       0.269  -4.637   0.156  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       1.121  -5.883   2.014  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.416  -6.289   2.761  1.00 11.05           H  
HETATM    5  H2  ACE A   3       1.304  -6.675   1.267  1.00 31.00           H  
HETATM    6  H3  ACE A   3       2.085  -5.680   2.516  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.412  -3.591   2.164  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.067  -2.263   1.701  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.129  -1.271   1.506  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.947  -1.066   2.410  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.043  -1.658   2.740  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -2.354  -2.402   3.076  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -3.265  -1.647   4.066  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.717  -1.567   5.499  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.710  -3.739   3.130  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.628  -2.371   0.750  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.347  -0.677   2.355  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -0.482  -1.438   3.665  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -2.138  -3.416   3.462  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -2.924  -2.547   2.143  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -4.253  -2.146   4.093  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -3.473  -0.625   3.689  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -1.782  -0.978   5.552  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -3.440  -1.076   6.176  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -2.505  -2.570   5.914  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.183  -0.606   0.345  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.220   0.415   0.029  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.643   1.856   0.185  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.671   2.217  -0.487  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.725   0.179  -1.420  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.646  -1.038  -1.594  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.637  -1.175  -0.877  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.396  -0.806  -0.293  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.093   0.303   0.707  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.867   0.154  -2.120  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.317   1.052  -1.743  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.260   2.685   1.050  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.813   4.086   1.321  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.773   5.019   0.043  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.744   4.988  -0.723  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.754   4.638   2.434  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.355   5.999   3.029  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.693   7.264   2.494  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.523   6.267   4.103  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       2.088   8.316   3.209  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.364   7.673   4.198  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.830   5.408   4.992  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.510   8.227   5.178  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6      -0.003   5.977   5.956  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.162   7.365   6.048  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.078   2.283   1.519  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.797   4.010   1.751  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.817   3.913   3.270  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.788   4.707   2.048  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.267   7.403   1.588  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       2.136   9.324   3.023  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       0.939   4.337   4.923  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.372   9.297   5.248  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.538   5.335   6.639  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -0.819   7.776   6.802  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.718   5.847  -0.237  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.416   6.134   0.701  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.644   5.159   0.776  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.615   5.467   1.472  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.794   7.558   0.242  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.539   7.572  -1.266  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.734   6.741  -1.415  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.057   6.220   1.740  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.828   7.846   0.506  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.139   8.298   0.743  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.380   7.089  -1.803  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.433   8.593  -1.675  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.750   6.174  -2.366  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.633   7.388  -1.400  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.593   3.986   0.128  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.628   2.919   0.252  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.160   1.805   1.242  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.913   2.149   2.717  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.948   2.658   3.497  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.698   1.803   3.313  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.796   2.819   4.871  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.600   2.448   5.489  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.429   2.558   6.870  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8      -0.233   2.165   7.461  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.526   1.923   4.689  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.661   1.526   5.307  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       0.803   1.652   6.686  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.622   3.213   5.446  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.985   2.270  -1.125  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.479   1.117   4.729  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.158   2.221  -1.502  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       1.727   1.346   7.159  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.687   3.805  -0.325  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.576   3.349   0.635  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.906   0.991   1.227  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.262   1.313   0.826  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.883   2.905   3.017  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.087   1.382   2.702  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -2.220   2.947   7.498  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8      -0.107   2.255   8.531  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.985   1.693  -1.817  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.194   0.652  -2.849  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.890  -0.761  -2.251  1.00  0.00           C  
ATOM    104  O   ARG A   9      -1.022  -0.939  -1.388  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.272   1.018  -4.038  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.345   0.130  -5.303  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -2.659   0.199  -6.111  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -3.688  -0.743  -5.591  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -4.939  -0.438  -5.245  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -5.446   0.766  -5.267  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -5.695  -1.411  -4.855  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.082   1.753  -1.330  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.244   0.682  -3.205  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -1.470   2.062  -4.343  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.224   1.014  -3.683  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -0.520   0.459  -5.961  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -1.093  -0.919  -5.055  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -3.009   1.246  -6.192  1.00  0.00           H  
ATOM    119  HD3 ARG A   9      -2.447  -0.100  -7.156  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -4.795   1.492  -5.572  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -6.414   0.867  -4.962  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -5.232  -2.319  -4.923  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -6.662  -1.194  -4.609  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.610  -1.771  -2.745  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.448  -3.176  -2.295  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.519  -3.992  -3.250  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.741  -4.073  -4.461  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.872  -3.782  -2.167  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.927  -5.249  -1.730  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -4.230  -6.318  -2.587  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.563  -5.823  -0.531  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -4.078  -7.565  -1.946  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.654  -7.230  -0.668  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.081  -5.246   0.666  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.260  -8.071   0.400  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.708  -6.091   1.710  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.795  -7.484   1.580  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.060  -1.524  -3.640  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -2.020  -3.186  -1.271  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.471  -3.193  -1.453  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.398  -3.680  -3.131  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -4.471  -6.162  -3.628  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -4.148  -8.503  -2.356  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -2.982  -4.176   0.745  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.308  -9.145   0.299  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.327  -5.656   2.624  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.489  -8.114   2.403  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.534  -4.669  -2.648  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.240  -5.758  -3.302  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.089  -7.153  -2.675  1.00 11.04           C  
ATOM    151  O   LYS A  11      -0.481  -8.086  -3.370  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.746  -5.396  -3.234  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.181  -4.286  -4.223  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.655  -3.844  -4.103  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.063  -3.153  -2.787  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.315  -1.898  -2.558  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.399  -4.459  -1.650  1.00 20.44           H  
ATOM    158  HA  LYS A  11      -0.027  -5.849  -4.372  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       2.003  -5.114  -2.195  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.343  -6.300  -3.439  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       2.004  -4.634  -5.257  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       1.528  -3.400  -4.102  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.308  -4.722  -4.262  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       3.893  -3.167  -4.946  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       3.912  -3.842  -1.934  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.151  -2.948  -2.818  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.447  -1.676  -3.053  1.00 44.51           H  
HETATM  168  N   NH2 A  12       0.048  -7.385  -1.378  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12       0.188  -6.555  -0.789  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -0.314  -8.299  -1.097  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  C   ACE A   3       0.790  -4.428   2.695  1.00  1.42           C  
HETATM    2  O   ACE A   3       1.120  -5.292   3.500  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.854  -4.728   1.203  1.00 11.32           C  
HETATM    4  H1  ACE A   3       1.424  -5.656   1.022  1.00 11.05           H  
HETATM    5  H2  ACE A   3      -0.162  -4.875   0.799  1.00 31.00           H  
HETATM    6  H3  ACE A   3       1.353  -3.913   0.651  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.373  -3.266   3.191  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.115  -2.102   2.402  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.016  -1.086   2.029  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.776  -0.610   2.879  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.297  -1.441   3.163  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -1.088  -1.003   4.640  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -2.311  -0.323   5.283  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -3.465  -1.284   5.607  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.372  -3.251   4.212  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.567  -2.480   1.461  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -2.158  -2.126   3.109  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.629  -0.563   2.584  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -0.228  -0.309   4.689  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.784  -1.864   5.264  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -2.676   0.497   4.639  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -1.990   0.176   6.219  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -3.142  -2.099   6.281  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -4.295  -0.753   6.108  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.883  -1.751   4.696  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.094  -0.743   0.735  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.114   0.193   0.187  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.589   1.665   0.160  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.565   1.953  -0.468  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.490  -0.284  -1.247  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.495  -1.446  -1.340  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.388  -1.569  -0.500  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.287  -1.049   0.167  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.031   0.155   0.813  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.571  -0.497  -1.829  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       2.966   0.552  -1.791  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.315   2.598   0.809  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.950   4.047   0.860  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.839   4.745  -0.557  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.728   4.513  -1.386  1.00  0.00           O  
ATOM     41  CB  TRP A   6       3.008   4.729   1.781  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.755   6.209   2.121  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       3.137   7.312   1.323  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       2.033   6.751   3.172  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       2.671   8.532   1.852  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.984   8.158   2.993  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       1.349   6.143   4.252  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       1.250   8.962   3.895  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6       0.636   6.956   5.134  1.00  0.00           C  
ATOM     50  CH2 TRP A   6       0.587   8.345   4.959  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.157   2.240   1.269  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.973   4.107   1.375  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       3.088   4.174   2.736  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       4.012   4.640   1.323  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.641   7.224   0.372  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       2.775   9.477   1.465  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       1.371   5.074   4.388  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       1.197  10.032   3.760  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6       0.108   6.508   5.962  1.00  0.00           H  
ATOM     60  HH2 TRP A   6       0.021   8.949   5.654  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.812   5.590  -0.887  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.223   6.098   0.074  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.504   5.239   0.370  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.423   5.729   1.030  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.535   7.464  -0.570  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.413   7.233  -2.076  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.778   6.284  -2.194  1.00 50.35           C  
ATOM     68  HA  PRO A   7       0.219   6.305   1.063  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.517   7.876  -0.275  1.00  0.00           H  
ATOM     70  HB3 PRO A   7       0.215   8.212  -0.240  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.331   6.750  -2.466  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.270   8.170  -2.645  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.664   5.574  -3.035  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.718   6.847  -2.359  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.547   3.969  -0.056  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.644   3.010   0.273  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.193   2.019   1.394  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.787   2.577   2.764  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.713   3.278   3.533  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.526   2.290   3.284  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.393   3.711   4.817  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.140   3.419   5.360  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -0.803   3.802   6.659  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8       0.444   3.476   7.184  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.184   2.687   4.574  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       1.056   2.363   5.126  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.367   2.760   6.424  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.137   4.249   5.388  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -3.108   2.193  -0.975  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.783   1.794   4.562  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.301   2.130  -1.277  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       2.328   2.506   6.846  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.677   3.656  -0.503  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.540   3.557   0.630  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -3.005   1.293   1.566  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.378   1.380   1.007  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.693   3.454   3.119  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.164   1.703   2.694  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -1.502   4.351   7.276  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.698   3.775   8.190  1.00  0.00           H  
ATOM    101  N   ARG A   9      -2.163   1.498  -1.633  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.441   0.352  -2.525  1.00  0.00           C  
ATOM    103  C   ARG A   9      -2.075  -0.974  -1.782  1.00  0.00           C  
ATOM    104  O   ARG A   9      -1.131  -1.047  -0.985  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.588   0.583  -3.799  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.796  -0.441  -4.934  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -0.970  -0.117  -6.188  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -1.199  -1.181  -7.195  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -0.623  -1.246  -8.393  1.00  0.00           C  
ATOM    110  NH1 ARG A   9       0.231  -0.367  -8.852  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -0.935  -2.249  -9.148  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.248   1.570  -1.171  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.514   0.339  -2.815  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -1.814   1.588  -4.201  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.517   0.600  -3.524  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -1.522  -1.454  -4.576  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -2.870  -0.490  -5.196  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -1.262   0.871  -6.597  1.00  0.00           H  
ATOM    119  HD3 ARG A   9       0.107  -0.055  -5.932  1.00  0.00           H  
ATOM    120 HH11 ARG A   9       0.424   0.398  -8.204  1.00  0.00           H  
ATOM    121 HH12 ARG A   9       0.603  -0.523  -9.790  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -1.609  -2.874  -8.703  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -0.503  -2.308 -10.071  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.805  -2.049  -2.097  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.427  -3.415  -1.659  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.483  -4.085  -2.713  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.730  -4.043  -3.923  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.730  -4.208  -1.388  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.482  -5.547  -0.699  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.322  -6.760  -1.377  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.174  -5.804   0.621  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -2.909  -7.793  -0.511  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -2.818  -7.171   0.726  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.090  -4.946   1.745  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -2.366  -7.689   1.963  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.657  -5.483   2.958  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.295  -6.833   3.065  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.373  -1.905  -2.935  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.894  -3.347  -0.688  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.409  -3.626  -0.745  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.291  -4.364  -2.326  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.408  -6.814  -2.451  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -2.632  -8.752  -0.753  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.343  -3.900   1.653  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -2.067  -8.724   2.049  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.576  -4.841   3.825  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -1.943  -7.214   4.013  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.404  -4.720  -2.234  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.652  -5.299  -3.096  1.00  4.20           C  
ATOM    150  C   LYS A  11       0.245  -6.671  -3.736  1.00 11.04           C  
ATOM    151  O   LYS A  11       0.538  -7.759  -3.246  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.894  -5.365  -2.168  1.00 41.10           C  
ATOM    153  CG  LYS A  11       3.242  -5.613  -2.864  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.855  -4.409  -3.621  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.402  -3.271  -2.731  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.384  -2.246  -2.406  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.274  -4.701  -1.219  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.887  -4.586  -3.909  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       2.000  -4.443  -1.565  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       1.734  -6.170  -1.425  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       3.956  -5.957  -2.093  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       3.129  -6.472  -3.550  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.705  -4.802  -4.211  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       3.157  -4.021  -4.387  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       4.864  -3.697  -1.815  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.237  -2.772  -3.261  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.605  -2.020  -3.031  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.451  -6.671  -4.854  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -0.907  -5.779  -5.081  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -0.743  -7.610  -5.142  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  C   ACE A   3       0.651  -4.339   1.070  1.00  1.42           C  
HETATM    2  O   ACE A   3       0.567  -4.035  -0.119  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       1.058  -5.740   1.484  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.221  -6.271   1.971  1.00 11.05           H  
HETATM    5  H2  ACE A   3       1.359  -6.334   0.602  1.00 31.00           H  
HETATM    6  H3  ACE A   3       1.917  -5.727   2.179  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.389  -3.498   2.069  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.067  -2.101   1.851  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.104  -1.076   1.717  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.881  -0.843   2.648  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.104  -1.716   2.937  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -0.679  -1.726   4.429  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -1.783  -1.256   5.397  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.944  -2.248   5.560  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.451  -3.899   3.007  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.652  -2.083   0.905  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.978  -2.368   2.799  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.490  -0.714   2.695  1.00 64.43           H  
HETATM   19  HG2 NLE A   4       0.197  -1.064   4.560  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.325  -2.731   4.729  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -2.173  -0.269   5.081  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -1.330  -1.072   6.391  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -2.593  -3.238   5.906  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -3.679  -1.883   6.301  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.493  -2.402   4.612  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.196  -0.449   0.539  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.269   0.530   0.205  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.705   1.982   0.260  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.752   2.303  -0.458  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.813   0.197  -1.210  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.706  -1.046  -1.300  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.918  -0.947  -1.110  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.508  -0.771  -0.161  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.116   0.442   0.920  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.988   0.143  -1.948  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.429   1.042  -1.565  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.293   2.862   1.095  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.804   4.262   1.300  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.709   5.130  -0.020  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.676   5.113  -0.792  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.733   4.908   2.371  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.292   6.289   2.887  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.573   7.528   2.266  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.465   6.595   3.956  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       1.941   8.602   2.923  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.256   7.999   3.964  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.818   5.770   4.909  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.398   8.584   4.923  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6      -0.019   6.370   5.851  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.227   7.756   5.857  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.100   2.494   1.609  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.799   4.171   1.751  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.828   4.235   3.246  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.763   4.989   1.971  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.123   7.631   1.342  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       1.948   9.597   2.671  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       0.963   4.702   4.906  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.224   9.649   4.927  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.519   5.757   6.585  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -0.886   8.190   6.596  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.610   5.888  -0.329  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.536   6.151   0.603  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.718   5.120   0.704  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.723   5.416   1.354  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.977   7.540   0.097  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.732   7.512  -1.413  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.575   6.732  -1.543  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.181   6.288   1.639  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -2.020   7.794   0.358  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.350   8.324   0.566  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.554   6.974  -1.925  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.673   8.522  -1.858  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.607   6.126  -2.469  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.445   7.418  -1.565  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.585   3.914   0.130  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.565   2.800   0.283  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.064   1.761   1.338  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.834   2.200   2.792  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.882   2.741   3.532  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.610   1.938   3.408  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.727   3.031   4.884  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.515   2.757   5.522  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.342   2.995   6.887  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8      -0.129   2.696   7.502  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.430   2.197   4.764  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.773   1.898   5.405  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       0.920   2.150   6.766  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.562   3.449   5.428  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.841   2.073  -1.074  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.601   1.464   4.860  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -3.992   1.959  -1.499  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       1.853   1.918   7.257  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.661   3.759  -0.293  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.545   3.194   0.620  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.780   0.922   1.364  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.143   1.285   0.956  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.824   2.918   3.037  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.182   1.479   2.834  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -2.141   3.412   7.485  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8      -0.002   2.883   8.558  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.787   1.517  -1.699  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -1.893   0.545  -2.814  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.593  -0.884  -2.262  1.00  0.00           C  
ATOM    104  O   ARG A   9      -0.558  -1.129  -1.628  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -0.878   0.917  -3.922  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.146   2.244  -4.677  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -0.099   2.576  -5.757  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -0.236   1.676  -6.933  1.00  0.00           N  
ATOM    109  CZ  ARG A   9       0.563   1.670  -7.997  1.00  0.00           C  
ATOM    110  NH1 ARG A   9       1.588   2.466  -8.157  1.00  0.00           N  
ATOM    111  NH2 ARG A   9       0.299   0.815  -8.931  1.00  0.00           N  
ATOM    112  H   ARG A   9      -0.905   1.661  -1.190  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -2.909   0.575  -3.263  1.00  0.00           H  
ATOM    114  HB2 ARG A   9       0.140   0.919  -3.495  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.856   0.102  -4.669  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -2.157   2.230  -5.132  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -1.174   3.076  -3.947  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -0.232   3.627  -6.082  1.00  0.00           H  
ATOM    119  HD3 ARG A   9       0.922   2.514  -5.328  1.00  0.00           H  
ATOM    120 HH11 ARG A   9       1.732   3.114  -7.380  1.00  0.00           H  
ATOM    121 HH12 ARG A   9       2.127   2.367  -9.017  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -0.518   0.241  -8.713  1.00  0.00           H  
ATOM    123 HH22 ARG A   9       0.905   0.800  -9.752  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.508  -1.829  -2.508  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.380  -3.222  -2.015  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.664  -4.141  -3.056  1.00  0.00           C  
ATOM    127  O   TRP A  10      -2.127  -4.329  -4.185  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.802  -3.715  -1.645  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.850  -5.111  -1.022  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -4.152  -6.282  -1.730  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.518  -5.516   0.252  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -4.016  -7.432  -0.925  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.614  -6.928   0.303  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.104  -4.778   1.384  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.287  -7.615   1.496  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.791  -5.474   2.553  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.879  -6.873   2.609  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.247  -1.548  -3.155  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.805  -3.218  -1.064  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.276  -3.017  -0.937  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.445  -3.697  -2.542  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -4.402  -6.257  -2.781  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -4.166  -8.413  -1.187  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.037  -3.703   1.329  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.349  -8.692   1.544  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.473  -4.926   3.428  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.627  -7.385   3.527  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.568  -4.763  -2.613  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.174  -5.792  -3.395  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.324  -7.253  -3.142  1.00 11.04           C  
ATOM    151  O   LYS A  11      -0.572  -8.009  -4.076  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.685  -5.618  -3.094  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.337  -4.363  -3.729  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.743  -4.021  -3.192  1.00 33.11           C  
ATOM    155  CE  LYS A  11       3.804  -3.483  -1.745  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.090  -2.193  -1.598  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.229  -4.423  -1.696  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.039  -5.613  -4.480  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.836  -5.623  -1.998  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.236  -6.505  -3.454  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       2.399  -4.506  -4.824  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       1.683  -3.480  -3.596  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.394  -4.912  -3.276  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       4.211  -3.272  -3.861  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       3.357  -4.220  -1.051  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       4.865  -3.407  -1.438  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.069  -2.120  -1.659  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.478  -7.738  -1.920  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -0.471  -7.047  -1.164  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -0.901  -8.670  -1.912  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  C   ACE A   3       0.642  -4.315   1.446  1.00  1.42           C  
HETATM    2  O   ACE A   3       0.552  -4.093   0.240  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       1.010  -5.694   1.956  1.00 11.32           C  
HETATM    4  H1  ACE A   3       1.975  -5.678   2.496  1.00 11.05           H  
HETATM    5  H2  ACE A   3       0.236  -6.096   2.633  1.00 31.00           H  
HETATM    6  H3  ACE A   3       1.110  -6.405   1.117  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.422  -3.394   2.383  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.021  -2.011   2.068  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.160  -1.001   1.909  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.866  -0.663   2.863  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.087  -1.564   3.099  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -0.716  -1.499   4.604  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -1.847  -0.978   5.511  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -3.019  -1.956   5.683  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.467  -3.733   3.346  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.577  -2.043   1.105  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.962  -2.216   2.963  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.456  -0.573   2.794  1.00 64.43           H  
HETATM   19  HG2 NLE A   4       0.158  -0.832   4.731  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.374  -2.487   4.966  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -2.220  -0.005   5.136  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -1.427  -0.750   6.510  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -3.540  -2.153   4.728  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -2.686  -2.930   6.087  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.774  -1.554   6.383  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.334  -0.491   0.682  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.342   0.562   0.367  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.687   1.977   0.396  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.625   2.182  -0.196  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.938   0.275  -1.038  1.00 73.01           C  
ATOM     31  CG  ASP A   5       4.015  -0.817  -1.109  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       5.207  -0.511  -1.111  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.655  -0.837  -0.016  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.172   0.535   1.105  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       2.138   0.074  -1.778  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.420   1.191  -1.423  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.327   2.968   1.045  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.818   4.374   1.100  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.697   5.071  -0.318  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.662   4.969  -1.085  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.756   5.149   2.071  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.273   6.557   2.453  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.594   7.752   1.772  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.361   6.922   3.429  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       1.905   8.860   2.304  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.141   8.319   3.324  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.633   6.150   4.369  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.193   8.953   4.160  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6      -0.293   6.798   5.187  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.510   8.178   5.085  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.235   2.708   1.444  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.824   4.329   1.582  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.890   4.576   3.010  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.772   5.217   1.637  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.225   7.797   0.895  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       1.927   9.836   1.987  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       0.783   5.085   4.445  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.008  10.014   4.076  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.859   6.224   5.907  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -1.240   8.650   5.728  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.590   5.779  -0.720  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.559   6.153   0.168  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.808   5.198   0.181  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.959   5.640   0.108  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.842   7.571  -0.374  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.611   7.468  -1.883  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.584   6.522  -2.000  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.251   6.269   1.221  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.849   7.946  -0.119  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.129   8.294   0.071  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.496   7.024  -2.376  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.429   8.450  -2.358  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.490   5.841  -2.868  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.523   7.097  -2.131  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.575   3.891   0.345  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.639   2.854   0.480  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.228   1.833   1.591  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.916   2.343   3.004  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.918   2.925   3.775  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.644   2.150   3.542  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.668   3.322   5.086  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.404   3.125   5.647  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.126   3.497   6.963  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8       0.144   3.290   7.496  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.367   2.524   4.854  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.895   2.318   5.414  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.146   2.704   6.726  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.469   3.769   5.660  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.905   2.115  -0.874  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.689   1.857   4.841  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.003   2.188  -1.429  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       2.125   2.544   7.155  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.592   3.614   0.212  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.595   3.322   0.788  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -3.020   1.071   1.678  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.363   1.244   1.232  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.898   3.048   3.339  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.112   1.670   2.938  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -1.885   3.952   7.586  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.353   3.583   8.514  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.892   1.388  -1.374  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -1.979   0.507  -2.561  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.556  -0.926  -2.108  1.00  0.00           C  
ATOM    104  O   ARG A   9      -0.481  -1.129  -1.527  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.055   1.041  -3.690  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.256   2.505  -4.164  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -2.635   2.805  -4.787  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -2.780   4.260  -5.052  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -3.279   5.160  -4.202  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -3.711   4.887  -2.998  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -3.332   6.388  -4.605  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.016   1.504  -0.847  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.018   0.483  -2.949  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -0.006   0.922  -3.362  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -1.141   0.369  -4.561  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -1.077   3.190  -3.313  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -0.470   2.768  -4.898  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -2.743   2.256  -5.742  1.00  0.00           H  
ATOM    119  HD3 ARG A   9      -3.463   2.432  -4.152  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -3.642   3.899  -2.734  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -4.036   5.665  -2.422  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -2.987   6.498  -5.562  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -3.737   7.079  -3.974  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.422  -1.919  -2.348  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.231  -3.297  -1.830  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.447  -4.209  -2.829  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.791  -4.337  -4.008  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.638  -3.847  -1.477  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.624  -5.198  -0.763  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.758  -6.432  -1.412  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.365  -5.491   0.558  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.576  -7.514  -0.526  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.328  -6.900   0.694  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.118  -4.652   1.668  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.034  -7.481   1.950  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.838  -5.244   2.901  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.796  -6.638   3.040  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.217  -1.672  -2.941  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.673  -3.239  -0.870  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.178  -3.138  -0.829  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.254  -3.923  -2.390  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.908  -6.490  -2.479  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.548  -8.517  -0.740  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.148  -3.579   1.550  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -2.993  -8.555   2.063  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.647  -4.618   3.760  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.571  -7.070   4.006  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.435  -4.909  -2.300  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.379  -5.892  -3.066  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.331  -7.284  -3.147  1.00 11.04           C  
ATOM    151  O   LYS A  11      -0.130  -8.195  -2.346  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.773  -5.965  -2.386  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.658  -4.705  -2.554  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.706  -4.547  -1.427  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.483  -3.215  -1.442  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.578  -2.071  -1.203  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.178  -4.628  -1.338  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.544  -5.531  -4.099  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.627  -6.198  -1.313  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.332  -6.833  -2.779  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       3.150  -4.712  -3.546  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       2.014  -3.805  -2.565  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       3.216  -4.659  -0.439  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       4.427  -5.385  -1.483  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       5.273  -3.240  -0.665  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.014  -3.092  -2.407  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.563  -2.177  -1.103  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -1.200  -7.500  -4.113  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -1.686  -8.394  -4.015  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -1.518  -6.663  -4.616  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  C   ACE A   3       0.407  -4.489   1.769  1.00  1.42           C  
HETATM    2  O   ACE A   3      -0.194  -4.548   0.699  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.929  -5.748   2.431  1.00 11.32           C  
HETATM    4  H1  ACE A   3       2.026  -5.715   2.556  1.00 11.05           H  
HETATM    5  H2  ACE A   3       0.465  -5.905   3.421  1.00 31.00           H  
HETATM    6  H3  ACE A   3       0.692  -6.633   1.814  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.640  -3.355   2.429  1.00 24.32           N  
HETATM    8  CA  NLE A   4       0.104  -2.036   2.000  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.229  -0.976   1.780  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.956  -0.595   2.702  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -0.992  -1.584   2.998  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -0.646  -1.443   4.504  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -1.804  -0.912   5.373  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.958  -1.906   5.568  1.00 21.12           C  
HETATM   15  H   NLE A   4       1.011  -3.478   3.372  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.433  -2.154   1.036  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.835  -2.280   2.880  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.390  -0.623   2.645  1.00 64.43           H  
HETATM   19  HG2 NLE A   4       0.214  -0.754   4.614  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.291  -2.408   4.914  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -2.192   0.035   4.952  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -1.402  -0.633   6.367  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -3.728  -1.495   6.247  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -3.465  -2.143   4.614  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -2.610  -2.859   6.008  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.336  -0.476   0.540  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.330   0.567   0.155  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.701   1.995   0.223  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.702   2.261  -0.451  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.822   0.275  -1.288  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.796  -0.900  -1.433  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.962  -0.780  -1.053  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.655  -0.866  -0.133  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.211   0.525   0.829  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.962   0.175  -1.980  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.366   1.155  -1.670  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.299   2.924   0.996  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.793   4.325   1.144  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.650   5.121  -0.218  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.592   5.069  -1.017  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.743   5.040   2.153  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.307   6.449   2.596  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.567   7.649   1.896  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.504   6.815   3.665  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       1.945   8.757   2.501  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.289   8.216   3.593  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.883   6.047   4.680  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.450   8.854   4.534  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6       0.065   6.701   5.603  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.149   8.083   5.532  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.144   2.602   1.479  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.802   4.248   1.628  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.861   4.420   3.063  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.761   5.101   1.724  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.095   7.696   0.954  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       1.943   9.736   2.192  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       1.034   4.982   4.738  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.271   9.919   4.479  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.415   6.130   6.384  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -0.793   8.559   6.258  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.536   5.855  -0.534  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.589   6.158   0.413  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.764   5.129   0.587  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.765   5.452   1.231  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -1.046   7.519  -0.150  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.847   7.413  -1.662  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.459   6.631  -1.791  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.210   6.343   1.433  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -2.081   7.787   0.132  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.405   8.327   0.260  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.681   6.846  -2.120  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.806   8.398  -2.162  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.464   5.975  -2.683  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.325   7.318  -1.879  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.627   3.897   0.077  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.588   2.778   0.308  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.045   1.800   1.396  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.767   2.316   2.815  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.795   2.882   3.565  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.516   2.107   3.393  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.590   3.249   4.892  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.350   3.030   5.495  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.126   3.345   6.836  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8       0.115   3.098   7.415  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.287   2.444   4.725  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.946   2.198   5.332  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.142   2.528   6.669  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.411   3.684   5.447  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.877   1.965  -0.997  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.758   1.746   4.778  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.039   1.732  -1.338  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       2.100   2.336   7.133  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.708   3.731  -0.354  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.566   3.175   0.645  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.758   0.964   1.490  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.137   1.303   1.009  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.759   3.016   3.099  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.261   1.632   2.813  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -1.908   3.784   7.442  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.282   3.347   8.454  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.814   1.465  -1.655  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -1.900   0.476  -2.754  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.566  -0.931  -2.168  1.00  0.00           C  
ATOM    104  O   ARG A   9      -0.506  -1.144  -1.565  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -0.896   0.840  -3.882  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.019   2.222  -4.582  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -2.290   2.455  -5.430  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -3.480   2.797  -4.605  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -3.797   4.009  -4.146  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -3.111   5.095  -4.391  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -4.851   4.105  -3.404  1.00  0.00           N  
ATOM    112  H   ARG A   9      -0.926   1.666  -1.176  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -2.918   0.480  -3.197  1.00  0.00           H  
ATOM    114  HB2 ARG A   9       0.126   0.748  -3.472  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.943   0.055  -4.656  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -0.907   3.032  -3.835  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -0.141   2.341  -5.246  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -2.110   3.238  -6.192  1.00  0.00           H  
ATOM    119  HD3 ARG A   9      -2.519   1.551  -6.026  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -2.291   4.939  -4.979  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -3.465   5.965  -3.994  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -5.262   3.190  -3.206  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -5.079   5.017  -3.009  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.477  -1.895  -2.343  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.315  -3.261  -1.788  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.432  -4.178  -2.702  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.588  -4.226  -3.927  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.742  -3.816  -1.532  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.769  -5.154  -0.794  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.833  -6.399  -1.432  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.568  -5.423   0.544  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.663  -7.464  -0.525  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.490  -6.830   0.698  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.373  -4.563   1.650  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.203  -7.386   1.966  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -3.102  -5.135   2.895  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -3.016  -6.525   3.051  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.247  -1.649  -2.968  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.831  -3.174  -0.792  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.337  -3.102  -0.940  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.288  -3.915  -2.488  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.904  -6.474  -2.506  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.558  -8.465  -0.730  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.419  -3.492   1.520  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.122  -8.457   2.090  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.941  -4.495   3.750  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.795  -6.938   4.025  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.541  -4.953  -2.069  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.350  -5.924  -2.760  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.404  -7.235  -3.163  1.00 11.04           C  
ATOM    151  O   LYS A  11      -0.407  -8.257  -2.480  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.565  -6.204  -1.829  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.489  -5.020  -1.450  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.298  -4.422  -2.622  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.156  -3.204  -2.230  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.315  -2.009  -1.997  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.462  -4.793  -1.050  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.752  -5.467  -3.683  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.185  -6.657  -0.892  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.185  -6.997  -2.283  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       1.888  -4.227  -0.964  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       3.189  -5.357  -0.662  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       3.963  -5.206  -3.031  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       2.631  -4.148  -3.461  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       4.773  -3.439  -1.339  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       4.880  -2.985  -3.040  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.311  -1.988  -2.197  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -1.084  -7.259  -4.292  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -1.627  -8.118  -4.404  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -1.282  -6.336  -4.696  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  C   ACE A   3       0.719  -4.200   1.089  1.00  1.42           C  
HETATM    2  O   ACE A   3       0.811  -3.852  -0.087  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       1.053  -5.621   1.501  1.00 11.32           C  
HETATM    4  H1  ACE A   3       1.340  -6.223   0.620  1.00 11.05           H  
HETATM    5  H2  ACE A   3       1.898  -5.646   2.211  1.00 31.00           H  
HETATM    6  H3  ACE A   3       0.185  -6.121   1.968  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.318  -3.388   2.066  1.00 24.32           N  
HETATM    8  CA  NLE A   4      -0.119  -1.988   1.823  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.050  -0.957   1.741  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.721  -0.641   2.729  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.220  -1.585   2.832  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -0.933  -1.666   4.348  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -2.162  -1.248   5.174  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -1.907  -1.375   6.677  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.249  -3.818   2.991  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.650  -1.977   0.847  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -2.115  -2.176   2.598  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.531  -0.557   2.600  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -0.071  -1.019   4.606  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.630  -2.694   4.627  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -3.039  -1.867   4.899  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -2.445  -0.203   4.936  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -1.660  -2.415   6.962  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -1.071  -0.728   7.003  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -2.800  -1.079   7.258  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.248  -0.410   0.536  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.309   0.594   0.248  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.714   2.035   0.296  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.745   2.328  -0.413  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.902   0.295  -1.155  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.785  -0.957  -1.244  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.957  -0.908  -0.870  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.640  -0.798  -0.202  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.131   0.511   0.991  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       2.103   0.275  -1.922  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.542   1.139  -1.461  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.298   2.936   1.107  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.797   4.334   1.280  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.711   5.177  -0.059  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.688   5.149  -0.818  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.712   5.004   2.347  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.252   6.386   2.841  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.557   7.624   2.229  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.385   6.692   3.877  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       1.899   8.697   2.859  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.174   8.095   3.873  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.701   5.867   4.804  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.279   8.681   4.797  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6      -0.173   6.468   5.712  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.382   7.853   5.708  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.118   2.592   1.613  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.787   4.245   1.723  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.808   4.346   3.233  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.744   5.090   1.953  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.151   7.724   1.332  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       1.917   9.692   2.608  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       0.848   4.800   4.808  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.103   9.746   4.793  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.700   5.855   6.426  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -1.070   8.288   6.420  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.612   5.925  -0.396  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.546   6.198   0.517  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.753   5.192   0.558  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.824   5.546   1.059  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.926   7.615   0.039  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.663   7.613  -1.467  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.598   6.762  -1.614  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.217   6.297   1.565  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.962   7.903   0.294  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.275   8.364   0.535  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.509   7.139  -2.000  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.544   8.630  -1.884  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.576   6.149  -2.536  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.501   7.402  -1.664  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.574   3.939   0.111  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.570   2.843   0.277  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.109   1.857   1.397  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.921   2.348   2.838  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.992   2.911   3.527  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.725   2.081   3.506  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.890   3.207   4.883  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.713   2.919   5.576  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.597   3.160   6.946  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8      -0.416   2.849   7.614  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.603   2.341   4.869  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.567   2.031   5.564  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       0.658   2.288   6.927  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.744   3.637   5.390  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.802   2.073  -1.065  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.412   1.584   5.056  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -3.899   2.108  -1.624  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       1.566   2.046   7.459  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.616   3.746  -0.217  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.558   3.254   0.566  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.833   1.024   1.435  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.178   1.360   1.068  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.913   3.089   2.994  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.089   1.616   2.967  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -2.417   3.590   7.506  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8      -0.333   3.040   8.674  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.772   1.357  -1.551  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -1.860   0.426  -2.700  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.502  -1.003  -2.179  1.00  0.00           C  
ATOM    104  O   ARG A   9      -0.389  -1.251  -1.699  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -0.890   0.862  -3.830  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.190   2.205  -4.545  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -0.567   3.448  -3.873  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -1.028   4.700  -4.527  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -2.160   5.352  -4.249  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -3.042   4.962  -3.365  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -2.392   6.441  -4.906  1.00  0.00           N  
ATOM    112  H   ARG A   9      -0.893   1.515  -1.040  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -2.885   0.423  -3.125  1.00  0.00           H  
ATOM    114  HB2 ARG A   9       0.149   0.836  -3.457  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.910   0.070  -4.601  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -0.811   2.160  -5.585  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -2.284   2.335  -4.656  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -0.763   3.484  -2.785  1.00  0.00           H  
ATOM    119  HD3 ARG A   9       0.536   3.398  -3.946  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -2.812   4.078  -2.905  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -3.876   5.538  -3.248  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -1.654   6.653  -5.581  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -3.261   6.940  -4.713  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.458  -1.938  -2.267  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.288  -3.322  -1.753  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.613  -4.259  -2.807  1.00  0.00           C  
ATOM    127  O   TRP A  10      -2.139  -4.500  -3.898  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.680  -3.822  -1.286  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.707  -5.240  -0.705  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -4.021  -6.383  -1.453  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.371  -5.695   0.553  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.877  -7.565  -0.697  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.466  -7.110   0.547  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -2.973  -5.007   1.723  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.152  -7.845   1.714  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.673  -5.751   2.865  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.758  -7.150   2.860  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.278  -1.653  -2.806  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.663  -3.288  -0.836  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.094  -3.138  -0.529  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.389  -3.776  -2.130  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -4.292  -6.320  -2.495  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -4.030  -8.537  -0.990  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -2.916  -3.931   1.727  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.217  -8.924   1.718  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.371  -5.238   3.767  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.517  -7.700   3.758  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.477  -4.839  -2.411  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.258  -5.850  -3.216  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.174  -7.289  -2.794  1.00 11.04           C  
ATOM    151  O   LYS A  11       0.326  -7.892  -1.846  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.775  -5.594  -3.017  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.323  -4.329  -3.726  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.755  -3.929  -3.313  1.00 33.11           C  
ATOM    155  CE  LYS A  11       3.914  -3.345  -1.893  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.208  -2.050  -1.746  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.102  -4.479  -1.518  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.049  -5.725  -4.297  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.994  -5.560  -1.933  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.342  -6.466  -3.385  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       2.300  -4.491  -4.819  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       1.649  -3.468  -3.551  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.423  -4.804  -3.420  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       4.148  -3.192  -4.041  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       3.524  -4.057  -1.141  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       4.995  -3.252  -1.673  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.199  -1.959  -1.907  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -1.130  -7.897  -3.470  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -1.403  -8.793  -3.057  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -1.665  -7.318  -4.124  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  C   ACE A   3       0.173  -4.778   1.689  1.00  1.42           C  
HETATM    2  O   ACE A   3      -0.510  -4.932   0.679  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.621  -5.971   2.509  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.214  -5.928   3.536  1.00 11.05           H  
HETATM    5  H2  ACE A   3       0.259  -6.910   2.052  1.00 31.00           H  
HETATM    6  H3  ACE A   3       1.722  -6.032   2.568  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.565  -3.587   2.144  1.00 24.32           N  
HETATM    8  CA  NLE A   4       0.105  -2.303   1.557  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.213  -1.205   1.551  1.00 51.12           C  
HETATM   10  O   NLE A   4       1.861  -0.935   2.568  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -1.193  -1.831   2.263  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -1.212  -1.700   3.806  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -2.595  -1.279   4.333  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.611  -1.145   5.859  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.938  -3.600   3.094  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.169  -2.490   0.499  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.996  -2.515   1.954  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -1.479  -0.866   1.822  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -0.443  -0.973   4.131  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -0.925  -2.662   4.271  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -3.363  -2.013   4.018  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -2.898  -0.317   3.878  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -2.368  -2.101   6.359  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -1.883  -0.389   6.210  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.607  -0.829   6.222  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.395  -0.545   0.394  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.406   0.538   0.220  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.741   1.949   0.276  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.765   2.221  -0.435  1.00 71.01           O  
ATOM     30  CB  ASP A   5       3.151   0.352  -1.128  1.00 73.01           C  
ATOM     31  CG  ASP A   5       4.080  -0.863  -1.213  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       5.122  -0.886  -0.558  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.708  -0.785  -0.337  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.173   0.469   1.022  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       2.440   0.371  -1.971  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.790   1.232  -1.303  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.299   2.856   1.103  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.781   4.245   1.287  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.741   5.107  -0.038  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.728   5.065  -0.784  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.666   4.886   2.398  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.205   6.257   2.917  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.518   7.507   2.337  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.328   6.542   3.951  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       1.857   8.568   2.985  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.121   7.945   3.977  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.630   5.698   4.851  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.214   8.511   4.903  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6      -0.255   6.280   5.759  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.462   7.664   5.785  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.134   2.526   1.599  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.755   4.144   1.688  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.733   4.205   3.270  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.710   4.976   2.037  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.118   7.627   1.445  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       1.877   9.568   2.755  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       0.775   4.630   4.832  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.040   9.577   4.921  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.796   5.650   6.450  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -1.159   8.084   6.496  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.668   5.885  -0.384  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.490   6.195   0.520  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.689   5.190   0.641  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.669   5.507   1.318  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.904   7.573  -0.032  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.623   7.505  -1.533  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.679   6.710  -1.612  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.150   6.356   1.555  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.951   7.845   0.198  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.281   8.364   0.433  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.437   6.964  -2.053  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.542   8.504  -2.002  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.731   6.089  -2.527  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.557   7.385  -1.618  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.605   3.989   0.048  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.634   2.918   0.195  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.140   1.805   1.174  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.866   2.161   2.640  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.893   2.661   3.437  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.628   1.863   3.207  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.697   2.885   4.796  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.466   2.585   5.383  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.248   2.767   6.750  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8      -0.015   2.445   7.310  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.406   2.059   4.567  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.818   1.736   5.155  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       1.009   1.932   6.519  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.517   3.271   5.386  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -3.019   2.258  -1.167  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.627   1.326   4.565  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.204   2.148  -1.494  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       1.959   1.682   6.969  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.692   3.809  -0.388  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.577   3.339   0.598  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.882   0.989   1.178  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.247   1.317   0.742  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.854   2.843   2.981  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.143   1.430   2.588  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -2.028   3.157   7.390  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.146   2.590   8.369  1.00  0.00           H  
ATOM    101  N   ARG A   9      -2.026   1.717  -1.891  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.222   0.562  -2.797  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.963  -0.793  -2.050  1.00  0.00           C  
ATOM    104  O   ARG A   9      -1.184  -0.867  -1.092  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.293   0.734  -4.027  1.00  0.00           C  
ATOM    106  CG  ARG A   9       0.243   0.763  -3.771  1.00  0.00           C  
ATOM    107  CD  ARG A   9       1.113   0.153  -4.886  1.00  0.00           C  
ATOM    108  NE  ARG A   9       0.889  -1.317  -4.951  1.00  0.00           N  
ATOM    109  CZ  ARG A   9       1.478  -2.157  -5.796  1.00  0.00           C  
ATOM    110  NH1 ARG A   9       2.409  -1.815  -6.647  1.00  0.00           N  
ATOM    111  NH2 ARG A   9       1.087  -3.390  -5.774  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.123   1.802  -1.414  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.267   0.560  -3.173  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -1.521  -0.105  -4.699  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -1.600   1.622  -4.605  1.00  0.00           H  
ATOM    116  HG2 ARG A   9       0.560   1.805  -3.572  1.00  0.00           H  
ATOM    117  HG3 ARG A   9       0.469   0.225  -2.833  1.00  0.00           H  
ATOM    118  HD2 ARG A   9       0.878   0.629  -5.859  1.00  0.00           H  
ATOM    119  HD3 ARG A   9       2.181   0.365  -4.683  1.00  0.00           H  
ATOM    120 HH11 ARG A   9       2.657  -0.825  -6.614  1.00  0.00           H  
ATOM    121 HH12 ARG A   9       2.779  -2.549  -7.251  1.00  0.00           H  
ATOM    122 HH21 ARG A   9       0.294  -3.539  -5.135  1.00  0.00           H  
ATOM    123 HH22 ARG A   9       1.496  -4.034  -6.451  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.597  -1.871  -2.527  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.392  -3.237  -1.977  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.355  -4.051  -2.824  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.369  -4.038  -4.060  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.802  -3.884  -1.898  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.842  -5.233  -1.185  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.837  -6.469  -1.839  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.789  -5.517   0.165  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.756  -7.546  -0.930  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.720  -6.925   0.311  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.761  -4.671   1.299  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.598  -7.496   1.600  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -3.640  -5.257   2.561  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -3.557  -6.648   2.709  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.060  -1.723  -3.427  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -2.023  -3.165  -0.933  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.503  -3.218  -1.370  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.228  -3.991  -2.911  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.834  -6.535  -2.917  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.758  -8.552  -1.127  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.827  -3.600   1.184  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.533  -8.568   1.721  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -3.606  -4.625   3.438  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -3.462  -7.071   3.699  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.478  -4.801  -2.138  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.538  -5.682  -2.784  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.024  -7.008  -3.393  1.00 11.04           C  
ATOM    151  O   LYS A  11       0.202  -7.314  -4.560  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.685  -5.947  -1.768  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.589  -4.748  -1.392  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.523  -4.280  -2.534  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.452  -3.113  -2.153  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.690  -1.854  -2.019  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.529  -4.718  -1.109  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.987  -5.142  -3.634  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.250  -6.368  -0.841  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.333  -6.755  -2.153  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       1.965  -3.906  -1.034  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       3.205  -5.031  -0.516  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.150  -5.132  -2.855  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       2.937  -4.004  -3.432  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       5.010  -3.359  -1.227  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.225  -2.981  -2.936  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.794  -1.700  -2.495  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.734  -7.858  -2.673  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -1.077  -7.510  -1.772  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -1.089  -8.647  -3.220  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  C   ACE A   3       0.415  -4.477   1.872  1.00  1.42           C  
HETATM    2  O   ACE A   3      -0.079  -4.550   0.749  1.00 25.23           O  
HETATM    3  CH3 ACE A   3       0.931  -5.720   2.571  1.00 11.32           C  
HETATM    4  H1  ACE A   3       0.404  -5.895   3.526  1.00 11.05           H  
HETATM    5  H2  ACE A   3       0.768  -6.612   1.939  1.00 31.00           H  
HETATM    6  H3  ACE A   3       2.015  -5.649   2.773  1.00  0.00           H  
HETATM    7  N   NLE A   4       0.534  -3.342   2.559  1.00 24.32           N  
HETATM    8  CA  NLE A   4       0.047  -2.035   2.048  1.00 22.54           C  
HETATM    9  C   NLE A   4       1.240  -1.069   1.742  1.00 51.12           C  
HETATM   10  O   NLE A   4       2.052  -0.754   2.619  1.00  4.44           O  
HETATM   11  CB  NLE A   4      -0.892  -1.371   3.085  1.00 51.41           C  
HETATM   12  CG  NLE A   4      -2.170  -2.111   3.534  1.00 53.53           C  
HETATM   13  CD  NLE A   4      -3.081  -1.286   4.464  1.00 13.25           C  
HETATM   14  CE  NLE A   4      -2.502  -1.050   5.866  1.00 21.12           C  
HETATM   15  H   NLE A   4       0.916  -3.435   3.503  1.00 73.41           H  
HETATM   16  HA  NLE A   4      -0.556  -2.181   1.128  1.00 13.34           H  
HETATM   17  HB2 NLE A   4      -1.234  -0.430   2.638  1.00 12.25           H  
HETATM   18  HB3 NLE A   4      -0.296  -1.075   3.963  1.00 64.43           H  
HETATM   19  HG2 NLE A   4      -1.909  -3.073   4.014  1.00 24.40           H  
HETATM   20  HG3 NLE A   4      -2.752  -2.371   2.635  1.00 61.35           H  
HETATM   21  HD2 NLE A   4      -4.052  -1.809   4.567  1.00 34.12           H  
HETATM   22  HD3 NLE A   4      -3.327  -0.314   3.994  1.00  2.42           H  
HETATM   23  HE1 NLE A   4      -2.257  -2.001   6.375  1.00 35.54           H  
HETATM   24  HE2 NLE A   4      -1.579  -0.440   5.835  1.00 13.20           H  
HETATM   25  HE3 NLE A   4      -3.220  -0.509   6.508  1.00 14.24           H  
ATOM     26  N   ASP A   5       1.297  -0.549   0.510  1.00 42.23           N  
ATOM     27  CA  ASP A   5       2.285   0.490   0.100  1.00 14.33           C  
ATOM     28  C   ASP A   5       1.664   1.920   0.192  1.00 70.04           C  
ATOM     29  O   ASP A   5       0.660   2.207  -0.467  1.00 71.01           O  
ATOM     30  CB  ASP A   5       2.747   0.198  -1.353  1.00 73.01           C  
ATOM     31  CG  ASP A   5       3.793  -0.915  -1.484  1.00  3.02           C  
ATOM     32  OD1 ASP A   5       4.959  -0.704  -1.148  1.00 41.31           O  
ATOM     33  H   ASP A   5       0.508  -0.828  -0.094  1.00 62.10           H  
ATOM     34  HA  ASP A   5       3.182   0.447   0.754  1.00 60.50           H  
ATOM     35  HB2 ASP A   5       1.877   0.026  -2.017  1.00  0.00           H  
ATOM     36  HB3 ASP A   5       3.224   1.101  -1.773  1.00 72.20           H  
ATOM     37  N   TRP A   6       2.286   2.825   0.975  1.00  0.00           N  
ATOM     38  CA  TRP A   6       1.820   4.235   1.144  1.00  0.00           C  
ATOM     39  C   TRP A   6       1.737   5.061  -0.205  1.00  0.00           C  
ATOM     40  O   TRP A   6       2.690   4.981  -0.989  1.00  0.00           O  
ATOM     41  CB  TRP A   6       2.774   4.891   2.187  1.00  0.00           C  
ATOM     42  CG  TRP A   6       2.374   6.296   2.670  1.00  0.00           C  
ATOM     43  CD1 TRP A   6       2.685   7.512   2.018  1.00  0.00           C  
ATOM     44  CD2 TRP A   6       1.563   6.650   3.737  1.00  0.00           C  
ATOM     45  NE1 TRP A   6       2.085   8.618   2.652  1.00  0.00           N  
ATOM     46  CE2 TRP A   6       1.390   8.057   3.710  1.00  0.00           C  
ATOM     47  CE3 TRP A   6       0.899   5.866   4.711  1.00  0.00           C  
ATOM     48  CZ2 TRP A   6       0.552   8.688   4.658  1.00  0.00           C  
ATOM     49  CZ3 TRP A   6       0.081   6.509   5.641  1.00  0.00           C  
ATOM     50  CH2 TRP A   6      -0.091   7.898   5.615  1.00  0.00           C  
ATOM     51  H   TRP A   6       3.134   2.481   1.437  1.00  0.00           H  
ATOM     52  HA  TRP A   6       0.814   4.180   1.602  1.00  0.00           H  
ATOM     53  HB2 TRP A   6       2.861   4.242   3.080  1.00  0.00           H  
ATOM     54  HB3 TRP A   6       3.801   4.936   1.775  1.00  0.00           H  
ATOM     55  HD1 TRP A   6       3.236   7.577   1.091  1.00  0.00           H  
ATOM     56  HE1 TRP A   6       2.118   9.605   2.377  1.00  0.00           H  
ATOM     57  HE3 TRP A   6       1.020   4.795   4.734  1.00  0.00           H  
ATOM     58  HZ2 TRP A   6       0.404   9.757   4.638  1.00  0.00           H  
ATOM     59  HZ3 TRP A   6      -0.432   5.925   6.391  1.00  0.00           H  
ATOM     60  HH2 TRP A   6      -0.736   8.367   6.345  1.00  0.00           H  
ATOM     61  N   PRO A   7       0.663   5.850  -0.526  1.00 22.14           N  
ATOM     62  CA  PRO A   7      -0.456   6.195   0.412  1.00 10.30           C  
ATOM     63  C   PRO A   7      -1.670   5.214   0.584  1.00 31.43           C  
ATOM     64  O   PRO A   7      -2.631   5.562   1.272  1.00 11.54           O  
ATOM     65  CB  PRO A   7      -0.862   7.574  -0.147  1.00 73.35           C  
ATOM     66  CG  PRO A   7      -0.638   7.475  -1.657  1.00 73.14           C  
ATOM     67  CD  PRO A   7       0.642   6.649  -1.770  1.00 50.35           C  
ATOM     68  HA  PRO A   7      -0.078   6.364   1.433  1.00 70.33           H  
ATOM     69  HB2 PRO A   7      -1.892   7.872   0.116  1.00  0.00           H  
ATOM     70  HB3 PRO A   7      -0.204   8.358   0.281  1.00 33.33           H  
ATOM     71  HG2 PRO A   7      -1.483   6.944  -2.136  1.00  0.00           H  
ATOM     72  HG3 PRO A   7      -0.554   8.463  -2.146  1.00 23.41           H  
ATOM     73  HD2 PRO A   7       0.643   6.008  -2.674  1.00  0.00           H  
ATOM     74  HD3 PRO A   7       1.533   7.305  -1.828  1.00 41.43           H  
HETATM   75  N   4J2 A   8      -1.613   3.995   0.024  1.00 55.11           N  
HETATM   76  CA  4J2 A   8      -2.627   2.925   0.255  1.00 24.43           C  
HETATM   77  CB  4J2 A   8      -2.126   1.910   1.329  1.00 10.34           C  
HETATM   78  CG  4J2 A   8      -1.858   2.386   2.764  1.00 12.23           C  
HETATM   79  CD1 4J2 A   8      -2.892   2.939   3.518  1.00  0.11           C  
HETATM   80  CD2 4J2 A   8      -0.627   2.121   3.363  1.00 72.21           C  
HETATM   81  CE1 4J2 A   8      -2.717   3.223   4.869  1.00 51.02           C  
HETATM   82  CZ1 4J2 A   8      -1.502   2.933   5.492  1.00 50.12           C  
HETATM   83  CZ2 4J2 A   8      -1.309   3.164   6.855  1.00 30.24           C  
HETATM   84  CZ3 4J2 A   8      -0.095   2.846   7.455  1.00 44.51           C  
HETATM   85  CE2 4J2 A   8      -0.432   2.362   4.719  1.00 75.11           C  
HETATM   86  CE3 4J2 A   8       0.773   2.042   5.347  1.00  3.32           C  
HETATM   87  CE4 4J2 A   8       0.939   2.288   6.706  1.00 51.13           C  
HETATM   88  HE1 4J2 A   8      -3.542   3.648   5.424  1.00  0.00           H  
HETATM   89  C   4J2 A   8      -2.986   2.151  -1.056  1.00 22.34           C  
HETATM   90  HE3 4J2 A   8       1.590   1.600   4.790  1.00  0.00           H  
HETATM   91  O   4J2 A   8      -4.163   2.033  -1.403  1.00 52.33           O  
HETATM   92  HE4 4J2 A   8       1.875   2.041   7.186  1.00  0.00           H  
HETATM   93  H   4J2 A   8      -0.713   3.794  -0.428  1.00 71.33           H  
HETATM   94  HA  4J2 A   8      -3.578   3.370   0.610  1.00 41.44           H  
HETATM   95  HB2 4J2 A   8      -2.859   1.088   1.400  1.00 40.54           H  
HETATM   96  HB1 4J2 A   8      -1.228   1.395   0.943  1.00 60.00           H  
HETATM   97  HD1 4J2 A   8      -3.840   3.122   3.037  1.00  0.00           H  
HETATM   98  HD2 4J2 A   8       0.158   1.663   2.774  1.00  0.00           H  
HETATM   99  HZ2 4J2 A   8      -2.097   3.591   7.463  1.00  0.00           H  
HETATM  100 HZ23 4J2 A   8       0.047   3.030   8.510  1.00  0.00           H  
ATOM    101  N   ARG A   9      -1.979   1.550  -1.718  1.00  0.00           N  
ATOM    102  CA  ARG A   9      -2.170   0.435  -2.675  1.00  0.00           C  
ATOM    103  C   ARG A   9      -1.826  -0.921  -1.978  1.00  0.00           C  
ATOM    104  O   ARG A   9      -0.923  -1.022  -1.139  1.00  0.00           O  
ATOM    105  CB  ARG A   9      -1.243   0.728  -3.881  1.00  0.00           C  
ATOM    106  CG  ARG A   9      -1.296  -0.251  -5.079  1.00  0.00           C  
ATOM    107  CD  ARG A   9      -2.585  -0.215  -5.930  1.00  0.00           C  
ATOM    108  NE  ARG A   9      -3.715  -0.984  -5.339  1.00  0.00           N  
ATOM    109  CZ  ARG A   9      -4.023  -2.253  -5.607  1.00  0.00           C  
ATOM    110  NH1 ARG A   9      -3.323  -3.038  -6.382  1.00  0.00           N  
ATOM    111  NH2 ARG A   9      -5.088  -2.732  -5.051  1.00  0.00           N  
ATOM    112  H   ARG A   9      -1.073   1.670  -1.247  1.00  0.00           H  
ATOM    113  HA  ARG A   9      -3.219   0.418  -3.036  1.00  0.00           H  
ATOM    114  HB2 ARG A   9      -1.455   1.745  -4.262  1.00  0.00           H  
ATOM    115  HB3 ARG A   9      -0.199   0.763  -3.520  1.00  0.00           H  
ATOM    116  HG2 ARG A   9      -0.446   0.013  -5.734  1.00  0.00           H  
ATOM    117  HG3 ARG A   9      -1.076  -1.284  -4.747  1.00  0.00           H  
ATOM    118  HD2 ARG A   9      -2.912   0.834  -6.071  1.00  0.00           H  
ATOM    119  HD3 ARG A   9      -2.371  -0.558  -6.962  1.00  0.00           H  
ATOM    120 HH11 ARG A   9      -2.472  -2.606  -6.745  1.00  0.00           H  
ATOM    121 HH12 ARG A   9      -3.644  -4.001  -6.484  1.00  0.00           H  
ATOM    122 HH21 ARG A   9      -5.593  -2.034  -4.502  1.00  0.00           H  
ATOM    123 HH22 ARG A   9      -5.353  -3.691  -5.282  1.00  0.00           H  
ATOM    124  N   TRP A  10      -2.542  -1.978  -2.368  1.00  0.00           N  
ATOM    125  CA  TRP A  10      -2.314  -3.347  -1.838  1.00  0.00           C  
ATOM    126  C   TRP A  10      -1.309  -4.164  -2.719  1.00  0.00           C  
ATOM    127  O   TRP A  10      -1.363  -4.153  -3.954  1.00  0.00           O  
ATOM    128  CB  TRP A  10      -3.713  -4.008  -1.714  1.00  0.00           C  
ATOM    129  CG  TRP A  10      -3.716  -5.413  -1.113  1.00  0.00           C  
ATOM    130  CD1 TRP A  10      -3.801  -6.592  -1.865  1.00  0.00           C  
ATOM    131  CD2 TRP A  10      -3.486  -5.810   0.187  1.00  0.00           C  
ATOM    132  NE1 TRP A  10      -3.626  -7.740  -1.064  1.00  0.00           N  
ATOM    133  CE2 TRP A  10      -3.422  -7.224   0.208  1.00  0.00           C  
ATOM    134  CE3 TRP A  10      -3.253  -5.059   1.362  1.00  0.00           C  
ATOM    135  CZ2 TRP A  10      -3.115  -7.900   1.413  1.00  0.00           C  
ATOM    136  CZ3 TRP A  10      -2.963  -5.744   2.543  1.00  0.00           C  
ATOM    137  CH2 TRP A  10      -2.893  -7.144   2.569  1.00  0.00           C  
ATOM    138  H   TRP A  10      -3.031  -1.801  -3.256  1.00  0.00           H  
ATOM    139  HA  TRP A  10      -1.908  -3.276  -0.807  1.00  0.00           H  
ATOM    140  HB2 TRP A  10      -4.381  -3.382  -1.098  1.00  0.00           H  
ATOM    141  HB3 TRP A  10      -4.199  -4.043  -2.704  1.00  0.00           H  
ATOM    142  HD1 TRP A  10      -3.897  -6.571  -2.939  1.00  0.00           H  
ATOM    143  HE1 TRP A  10      -3.526  -8.716  -1.363  1.00  0.00           H  
ATOM    144  HE3 TRP A  10      -3.270  -3.980   1.328  1.00  0.00           H  
ATOM    145  HZ2 TRP A  10      -3.045  -8.977   1.436  1.00  0.00           H  
ATOM    146  HZ3 TRP A  10      -2.767  -5.181   3.443  1.00  0.00           H  
ATOM    147  HH2 TRP A  10      -2.654  -7.648   3.495  1.00  0.00           H  
ATOM    148  N   LYS A  11      -0.442  -4.946  -2.057  1.00 74.43           N  
ATOM    149  CA  LYS A  11       0.473  -5.910  -2.727  1.00  4.20           C  
ATOM    150  C   LYS A  11      -0.267  -7.207  -3.197  1.00 11.04           C  
ATOM    151  O   LYS A  11      -0.332  -8.235  -2.525  1.00 35.41           O  
ATOM    152  CB  LYS A  11       1.646  -6.225  -1.754  1.00 41.10           C  
ATOM    153  CG  LYS A  11       2.585  -5.061  -1.352  1.00 44.10           C  
ATOM    154  CD  LYS A  11       3.457  -4.503  -2.501  1.00 33.11           C  
ATOM    155  CE  LYS A  11       4.261  -3.245  -2.123  1.00 70.12           C  
ATOM    156  NZ  LYS A  11       3.367  -2.077  -1.976  1.00 43.51           N  
ATOM    157  H   LYS A  11      -0.407  -4.803  -1.033  1.00 20.44           H  
ATOM    158  HA  LYS A  11       0.916  -5.437  -3.622  1.00 50.52           H  
ATOM    159  HB2 LYS A  11       1.223  -6.664  -0.830  1.00  0.00           H  
ATOM    160  HB3 LYS A  11       2.260  -7.034  -2.184  1.00 63.23           H  
ATOM    161  HG2 LYS A  11       1.984  -4.250  -0.899  1.00  0.00           H  
ATOM    162  HG3 LYS A  11       3.246  -5.404  -0.532  1.00 60.25           H  
ATOM    163  HD2 LYS A  11       4.160  -5.292  -2.828  1.00  0.00           H  
ATOM    164  HD3 LYS A  11       2.843  -4.284  -3.394  1.00 13.13           H  
ATOM    165  HE2 LYS A  11       4.843  -3.423  -1.195  1.00  0.00           H  
ATOM    166  HE3 LYS A  11       5.014  -3.035  -2.908  1.00 35.55           H  
ATOM    167  HZ1 LYS A  11       2.358  -2.129  -2.140  1.00 44.51           H  
HETATM  168  N   NH2 A  12      -0.861  -7.214  -4.374  1.00 24.35           N  
HETATM  169  HN1 NH2 A  12      -1.011  -6.288  -4.792  1.00 71.12           H  
HETATM  170  HN2 NH2 A  12      -1.387  -8.075  -4.552  1.00 14.20           H  
TER     171      NH2 A  12                                                      
ENDMDL                                                                          
CONECT    1    2    3    7                                                      
CONECT    2    1                                                                
CONECT    3    1    4    5    6                                                 
CONECT    4    3                                                                
CONECT    5    3                                                                
CONECT    6    3                                                                
CONECT    7    1    8   15                                                      
CONECT    8    7    9   11   16                                                 
CONECT    9    8   10   26                                                      
CONECT   10    9                                                                
CONECT   11    8   12   17   18                                                 
CONECT   12   11   13   19   20                                                 
CONECT   13   12   14   21   22                                                 
CONECT   14   13   23   24   25                                                 
CONECT   15    7                                                                
CONECT   16    8                                                                
CONECT   17   11                                                                
CONECT   18   11                                                                
CONECT   19   12                                                                
CONECT   20   12                                                                
CONECT   21   13                                                                
CONECT   22   13                                                                
CONECT   23   14                                                                
CONECT   24   14                                                                
CONECT   25   14                                                                
CONECT   26    9                                                                
CONECT   31  156                                                                
CONECT   63   75                                                                
CONECT   75   63   76   93                                                      
CONECT   76   75   77   89   94                                                 
CONECT   77   76   78   95   96                                                 
CONECT   78   77   79   80                                                      
CONECT   79   78   81   97                                                      
CONECT   80   78   85   98                                                      
CONECT   81   79   82   88                                                      
CONECT   82   81   83   85                                                      
CONECT   83   82   84   99                                                      
CONECT   84   83   87  100                                                      
CONECT   85   80   82   86                                                      
CONECT   86   85   87   90                                                      
CONECT   87   84   86   92                                                      
CONECT   88   81                                                                
CONECT   89   76   91  101                                                      
CONECT   90   86                                                                
CONECT   91   89                                                                
CONECT   92   87                                                                
CONECT   93   75                                                                
CONECT   94   76                                                                
CONECT   95   77                                                                
CONECT   96   77                                                                
CONECT   97   79                                                                
CONECT   98   80                                                                
CONECT   99   83                                                                
CONECT  100   84                                                                
CONECT  101   89                                                                
CONECT  150  168                                                                
CONECT  156   31                                                                
CONECT  168  150  169  170                                                      
CONECT  169  168                                                                
CONECT  170  168                                                                
MASTER      133    0    4    0    0    0    0    6   89    1   60    1          
END