HEADER    CYTOKINE                                01-JUL-16   5LFH              
TITLE     NMR STRUCTURE OF PEPTIDE 10 TARGETING CXCR4                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS;                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 OTHER_DETAILS: ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS                       
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    CXCR4, CXCL12, CXCR4 ANTAGONISTS, CANCER, MOLECULAR INVASION, DRUG    
KEYWDS   2 DESIGN, CHEMOKINE, CYTOKINE                                          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    S.DI MARO,A.M.TROTTA,D.BRANCACCIO,F.S.DI LEVA,V.LA PIETRA,C.IERANO,   
AUTHOR   2 M.NAPOLITANO,L.PORTELLA,C.D'ALTERIO,R.A.SICILIANO,D.SEMENTA,         
AUTHOR   3 S.TOMASSI,A.CAROTENUTO,E.NOVELLINO,S.SCALA,L.MARINELLI               
REVDAT   2   05-OCT-16 5LFH    1       JRNL                                     
REVDAT   1   07-SEP-16 5LFH    0                                                
JRNL        AUTH   S.DI MARO,A.M.TROTTA,D.BRANCACCIO,F.S.DI LEVA,V.LA PIETRA,   
JRNL        AUTH 2 C.IERANO,M.NAPOLITANO,L.PORTELLA,C.D'ALTERIO,R.A.SICILIANO,  
JRNL        AUTH 3 D.SEMENTA,S.TOMASSI,A.CAROTENUTO,E.NOVELLINO,S.SCALA,        
JRNL        AUTH 4 L.MARINELLI                                                  
JRNL        TITL   EXPLORING THE N-TERMINAL REGION OF C-X-C MOTIF CHEMOKINE 12  
JRNL        TITL 2 (CXCL12): IDENTIFICATION OF PLASMA-STABLE CYCLIC PEPTIDES AS 
JRNL        TITL 3 NOVEL, POTENT C-X-C CHEMOKINE RECEPTOR TYPE 4 (CXCR4)        
JRNL        TITL 4 ANTAGONISTS.                                                 
JRNL        REF    J.MED.CHEM.                   V.  59  8369 2016              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   27571038                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.6B00695                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DISCOVER                                             
REMARK   3   AUTHORS     : ACCELRYS SOFTWARE INC.                               
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5LFH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-JUL-16.                  
REMARK 100 THE DEPOSITION ID IS D_1200000654.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 2 MM PEPTIDE 10, 200 MM            
REMARK 210                                   DEUTERATED SDS, 10 % DEUTERATED    
REMARK 210                                   H2O, 90% H2O/10% D2O               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 1D 1H; 2D 1H-1H NOESY; 2D 1H-1H    
REMARK 210                                   TOCSY; 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                 : XEASY, DYANA                       
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  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 120 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 1110 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  1 CYS A   8   C     CYS A   8   O       0.126                       
REMARK 500  1 CYS A   8   C     CYS A   8   OXT     0.134                       
REMARK 500  2 CYS A   8   C     CYS A   8   O       0.127                       
REMARK 500  2 CYS A   8   C     CYS A   8   OXT     0.132                       
REMARK 500  3 CYS A   8   C     CYS A   8   O       0.125                       
REMARK 500  3 CYS A   8   C     CYS A   8   OXT     0.138                       
REMARK 500  4 CYS A   8   C     CYS A   8   O       0.126                       
REMARK 500  4 CYS A   8   C     CYS A   8   OXT     0.139                       
REMARK 500  5 CYS A   8   C     CYS A   8   O       0.126                       
REMARK 500  5 CYS A   8   C     CYS A   8   OXT     0.135                       
REMARK 500  6 CYS A   8   C     CYS A   8   O       0.127                       
REMARK 500  6 CYS A   8   C     CYS A   8   OXT     0.140                       
REMARK 500  7 CYS A   8   C     CYS A   8   O       0.127                       
REMARK 500  7 CYS A   8   C     CYS A   8   OXT     0.135                       
REMARK 500  8 CYS A   8   C     CYS A   8   O       0.127                       
REMARK 500  8 CYS A   8   C     CYS A   8   OXT     0.139                       
REMARK 500  9 CYS A   8   C     CYS A   8   O       0.126                       
REMARK 500  9 CYS A   8   C     CYS A   8   OXT     0.141                       
REMARK 500 10 CYS A   8   C     CYS A   8   O       0.126                       
REMARK 500 10 CYS A   8   C     CYS A   8   OXT     0.136                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  1 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  2 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  2 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  3 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  3 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.5 DEGREES          
REMARK 500  4 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  4 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  5 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  5 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  6 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  6 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  7 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  7 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  8 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  8 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  9 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  9 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 10 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 10 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 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  5 PHE A   6      -48.00   -133.37                                   
REMARK 500  7 PHE A   6      -49.12   -141.96                                   
REMARK 500  8 PHE A   6      -50.32   -139.10                                   
REMARK 500  9 PHE A   6      -50.16   -142.15                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 34017   RELATED DB: BMRB                                 
DBREF  5LFH A    1     8  PDB    5LFH     5LFH             1      8             
SEQRES   1 A    8  ACE ARG ALA DCY ARG PHE PHE CYS                              
HET    ACE  A   1       6                                                       
HET    DCY  A   4      10                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     DCY D-CYSTEINE                                                       
FORMUL   1  ACE    C2 H4 O                                                      
FORMUL   1  DCY    C3 H7 N O2 S                                                 
SSBOND   1 DCY A    4    CYS A    8                          1555   1555  1.99  
LINK         C   ACE A   1                 N   ARG A   2     1555   1555  1.33  
LINK         C   ALA A   3                 N   DCY A   4     1555   1555  1.35  
LINK         C   DCY A   4                 N   ARG A   5     1555   1555  1.35  
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   1      -7.983  -2.373   4.000  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.122  -1.966   4.231  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.557  -3.768   4.415  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -6.755  -3.739   5.175  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -8.409  -4.316   4.856  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -7.200  -4.360   3.551  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.046  -1.650   3.386  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.329  -0.314   2.778  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.695  -0.257   1.342  1.00  0.00           C  
ATOM     10  O   ARG A   2      -6.997  -1.114   0.506  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.959   0.769   3.848  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -7.286   2.242   3.468  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -7.959   3.088   4.572  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -7.049   3.444   5.702  1.00  0.00           N  
ATOM     15  CZ  ARG A   2      -6.250   4.514   5.752  1.00  0.00           C  
ATOM     16  NH1 ARG A   2      -5.610   4.757   6.859  1.00  0.00           N  
ATOM     17  NH2 ARG A   2      -6.074   5.334   4.744  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.196  -2.188   3.192  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.418  -0.217   2.589  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.495   0.511   4.784  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.889   0.685   4.127  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.369   2.750   3.114  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -7.962   2.255   2.590  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -8.423   3.991   4.129  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -8.832   2.530   4.969  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -7.075   2.908   6.574  1.00  0.00           H  
ATOM     27 HH11 ARG A   2      -5.021   5.592   6.883  1.00  0.00           H  
ATOM     28 HH12 ARG A   2      -5.787   4.127   7.644  1.00  0.00           H  
ATOM     29 HH21 ARG A   2      -5.461   6.141   4.871  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -6.613   5.087   3.913  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.823   0.719   1.033  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.022   0.735  -0.229  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.657  -0.047  -0.222  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.969  -0.097  -1.243  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.790   2.229  -0.530  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.663   1.391   1.787  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.620   0.313  -1.062  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -4.139   2.715   0.222  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.296   2.362  -1.513  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -5.735   2.802  -0.578  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.242  -0.601   0.931  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.898  -1.196   1.150  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.666  -0.223   1.013  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.395  -0.640   0.550  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.961  -1.852   2.564  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.419  -3.569   2.538  1.00  0.00           S  
HETATM   47  H   DCY A   4      -3.982  -0.635   1.638  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.754  -1.998   0.400  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.325  -1.315   3.292  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.967  -1.859   3.028  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.793   1.045   1.459  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.365   1.970   1.665  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.085   1.782   3.040  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.314   1.713   3.083  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.106   3.447   1.483  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.131   3.948   0.022  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.424   5.459  -0.067  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -0.869   5.805  -1.444  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -0.960   7.038  -1.942  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -1.521   7.189  -3.108  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.515   8.108  -1.330  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.756   1.272   1.726  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.141   1.762   0.899  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.102   3.592   1.946  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.558   4.121   2.064  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.849   3.747  -0.459  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.865   3.347  -0.548  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -1.213   5.748   0.660  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.486   6.017   0.233  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.238   5.079  -2.064  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -1.594   8.140  -3.471  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -1.879   6.346  -3.562  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -0.604   9.011  -1.800  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.058   7.923  -0.436  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.327   1.753   4.148  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.882   1.667   5.533  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.846   0.214   6.106  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.829  -0.235   6.696  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.156   2.687   6.463  1.00  0.00           C  
ATOM     80  CG  PHE A   6       0.188   4.159   5.996  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.909   4.697   5.312  1.00  0.00           C  
ATOM     82  CD2 PHE A   6       1.346   4.928   6.150  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -0.842   5.981   4.777  1.00  0.00           C  
ATOM     84  CE2 PHE A   6       1.408   6.214   5.617  1.00  0.00           C  
ATOM     85  CZ  PHE A   6       0.318   6.738   4.929  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.677   1.816   3.959  1.00  0.00           H  
ATOM     87  HA  PHE A   6       1.954   1.956   5.523  1.00  0.00           H  
ATOM     88  HB2 PHE A   6      -0.891   2.365   6.628  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.605   2.631   7.473  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -1.803   4.108   5.165  1.00  0.00           H  
ATOM     91  HD2 PHE A   6       2.209   4.522   6.657  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -1.682   6.387   4.233  1.00  0.00           H  
ATOM     93  HE2 PHE A   6       2.310   6.800   5.728  1.00  0.00           H  
ATOM     94  HZ  PHE A   6       0.373   7.732   4.509  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.266  -0.526   5.924  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.432  -1.917   6.448  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.106  -3.064   5.494  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.362  -4.202   5.569  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.944  -2.097   6.832  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.720  -0.981   7.596  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -2.107  -0.197   8.583  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -4.045  -0.705   7.238  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -2.791   0.870   9.163  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -4.735   0.351   7.831  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -4.103   1.143   8.787  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.047  -0.012   5.511  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.148  -2.023   7.388  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.491  -2.335   5.900  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.037  -3.025   7.427  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -1.083  -0.382   8.873  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -4.549  -1.306   6.494  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -2.300   1.489   9.902  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -5.759   0.548   7.554  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.633   1.963   9.248  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.094  -2.774   4.619  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.763  -3.758   3.724  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.250  -3.965   4.129  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.977  -3.060   4.828  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.687  -3.231   2.267  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.202  -3.768   1.397  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.736  -5.164   3.700  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.462  -1.824   4.736  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.268  -4.749   3.768  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.756  -2.127   2.215  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.533  -3.595   1.655  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  C   ACE A   1      -8.028  -2.365   3.908  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.182  -1.962   4.055  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.628  -3.764   4.340  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -7.007  -4.279   3.584  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -7.071  -3.741   5.292  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -8.526  -4.390   4.499  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.045  -1.629   3.388  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.258  -0.251   2.853  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.729  -0.185   1.373  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.174  -0.962   0.527  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.666   0.725   3.925  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -6.919   2.248   3.726  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -8.122   2.847   4.481  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.419   2.427   3.882  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.623   2.780   4.332  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -11.672   2.313   3.719  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -10.809   3.576   5.357  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.169  -2.149   3.284  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.341  -0.044   2.768  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.033   0.439   4.932  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.573   0.550   3.992  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.019   2.782   4.090  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -6.975   2.527   2.657  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -8.065   2.567   5.553  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -8.036   3.954   4.450  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.444   1.804   3.071  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -12.585   2.593   4.081  1.00  0.00           H  
ATOM     28 HH12 ARG A   2     -11.508   1.685   2.929  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -11.766   3.797   5.640  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -9.946   3.907   5.791  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.785   0.714   1.048  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.022   0.687  -0.237  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.654  -0.090  -0.231  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.958  -0.125  -1.248  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.801   2.175  -0.581  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.517   1.336   1.816  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.635   0.240  -1.044  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -4.159   2.690   0.159  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.304   2.288  -1.564  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -5.751   2.738  -0.647  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.242  -0.659   0.917  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.883  -1.219   1.149  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.671  -0.223   1.011  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.397  -0.622   0.547  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.936  -1.865   2.567  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.419  -3.592   2.549  1.00  0.00           S  
HETATM   47  H   DCY A   4      -3.981  -0.701   1.624  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.719  -2.023   0.405  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.277  -1.335   3.280  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.932  -1.847   3.051  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.818   1.039   1.463  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.327   1.979   1.674  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.055   1.778   3.044  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.282   1.680   3.078  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.160   3.452   1.509  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.173   3.970   0.053  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.490   5.478  -0.024  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -0.931   5.826  -1.402  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.033   7.060  -1.895  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -1.589   7.209  -3.063  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.602   8.132  -1.276  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.780   1.247   1.745  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.103   1.788   0.905  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.165   3.580   1.961  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.485   4.127   2.107  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.816   3.792  -0.416  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.889   3.363  -0.534  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -1.289   5.747   0.700  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.410   6.049   0.286  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.292   5.099  -2.025  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -1.671   8.162  -3.423  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -1.936   6.364  -3.521  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -0.701   9.036  -1.740  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.152   7.947  -0.377  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.306   1.764   4.159  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.878   1.662   5.537  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.851   0.203   6.097  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.841  -0.248   6.675  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.163   2.674   6.487  1.00  0.00           C  
ATOM     80  CG  PHE A   6       0.178   4.147   6.025  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.968   4.708   5.448  1.00  0.00           C  
ATOM     82  CD2 PHE A   6       1.359   4.896   6.073  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -0.929   5.994   4.912  1.00  0.00           C  
ATOM     84  CE2 PHE A   6       1.395   6.183   5.539  1.00  0.00           C  
ATOM     85  CZ  PHE A   6       0.253   6.729   4.956  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.694   1.884   3.988  1.00  0.00           H  
ATOM     87  HA  PHE A   6       1.948   1.952   5.517  1.00  0.00           H  
ATOM     88  HB2 PHE A   6      -0.877   2.343   6.673  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.635   2.619   7.488  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -1.885   4.139   5.389  1.00  0.00           H  
ATOM     91  HD2 PHE A   6       2.257   4.473   6.498  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -1.812   6.417   4.460  1.00  0.00           H  
ATOM     93  HE2 PHE A   6       2.313   6.753   5.565  1.00  0.00           H  
ATOM     94  HZ  PHE A   6       0.286   7.724   4.537  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.258  -0.541   5.917  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.415  -1.934   6.438  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.138  -3.079   5.493  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.284  -4.232   5.613  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.925  -2.133   6.818  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.715  -1.033   7.587  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -4.050  -0.790   7.246  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -2.106  -0.226   8.561  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -4.754   0.258   7.838  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -2.805   0.833   9.138  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -4.126   1.073   8.775  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.046  -0.025   5.516  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.162  -2.034   7.381  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.468  -2.369   5.882  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.009  -3.067   7.407  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -4.551  -1.407   6.513  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -1.075  -0.385   8.838  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -5.784   0.440   7.570  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -2.317   1.472   9.862  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.667   1.895   9.225  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.085  -2.779   4.578  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.776  -3.768   3.712  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.252  -3.887   4.180  1.00  0.00           C  
ATOM    118  O   CYS A   8       4.195  -2.944   3.937  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.694  -3.294   2.239  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.191  -3.826   1.395  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.496  -5.040   4.861  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.396  -1.801   4.632  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.312  -4.772   3.782  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.787  -2.195   2.149  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.534  -3.699   1.642  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  C   ACE A   1      -8.017  -2.353   3.941  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.155  -1.924   4.126  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.643  -3.759   4.382  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -6.619  -4.066   4.102  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -7.728  -3.847   5.480  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -8.340  -4.492   3.940  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.044  -1.642   3.367  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.257  -0.270   2.816  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.727  -0.220   1.336  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.106  -1.057   0.514  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.659   0.717   3.875  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -6.943   2.235   3.674  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -8.085   2.828   4.522  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.417   2.350   4.061  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.574   2.579   4.680  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -11.656   2.061   4.176  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -10.683   3.300   5.769  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.184  -2.179   3.226  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.341  -0.062   2.730  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.001   0.428   4.890  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.563   0.559   3.923  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.021   2.788   3.945  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -7.101   2.495   2.609  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -7.911   2.585   5.591  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -8.040   3.936   4.452  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.502   1.771   3.221  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -12.531   2.242   4.668  1.00  0.00           H  
ATOM     28 HH12 ARG A   2     -11.548   1.490   3.335  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -11.608   3.423   6.185  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -9.797   3.680   6.109  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.846   0.733   0.983  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.051   0.694  -0.281  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.686  -0.087  -0.238  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.994  -0.172  -1.255  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.818   2.178  -0.634  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.627   1.396   1.731  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.650   0.239  -1.098  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -5.767   2.734  -0.750  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.214   2.703   0.132  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.277   2.281  -1.592  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.275  -0.602   0.935  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.935  -1.202   1.170  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.702  -0.232   1.029  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.351  -0.646   0.545  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -2.009  -1.850   2.585  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.411  -3.550   2.583  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.015  -0.615   1.640  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.790  -2.010   0.427  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.412  -1.285   3.326  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -3.026  -1.890   3.022  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.819   1.030   1.492  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.341   1.956   1.678  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.089   1.771   3.040  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.320   1.734   3.063  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.132   3.432   1.496  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.188   3.919   0.031  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.494   5.426  -0.069  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -0.941   5.759  -1.450  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.044   6.987  -1.958  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -1.604   7.123  -3.124  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.609   8.065  -1.353  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.778   1.262   1.768  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.105   1.746   0.900  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.119   3.582   1.979  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.541   4.110   2.057  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.784   3.720  -0.467  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.930   3.308  -0.522  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -1.286   5.712   0.655  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.412   5.996   0.226  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.303   5.024  -2.064  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -1.687   8.072  -3.495  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -1.955   6.274  -3.573  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -0.709   8.964  -1.827  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.155   7.891  -0.456  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.351   1.711   4.161  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.931   1.627   5.538  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.888   0.176   6.117  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.886  -0.307   6.655  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.230   2.666   6.470  1.00  0.00           C  
ATOM     80  CG  PHE A   6       0.236   4.129   5.973  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.922   4.681   5.415  1.00  0.00           C  
ATOM     82  CD2 PHE A   6       1.420   4.876   5.973  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -0.894   5.956   4.853  1.00  0.00           C  
ATOM     84  CE2 PHE A   6       1.445   6.151   5.412  1.00  0.00           C  
ATOM     85  CZ  PHE A   6       0.291   6.688   4.851  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.655   1.763   3.990  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.006   1.905   5.509  1.00  0.00           H  
ATOM     88  HB2 PHE A   6      -0.808   2.340   6.676  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.714   2.635   7.466  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -1.843   4.114   5.392  1.00  0.00           H  
ATOM     91  HD2 PHE A   6       2.329   4.457   6.384  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -1.789   6.374   4.416  1.00  0.00           H  
ATOM     93  HE2 PHE A   6       2.365   6.718   5.404  1.00  0.00           H  
ATOM     94  HZ  PHE A   6       0.313   7.676   4.411  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.248  -0.530   5.974  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.439  -1.938   6.445  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.179  -3.076   5.529  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.139  -4.252   5.715  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.979  -2.150   6.673  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.781  -1.050   7.415  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -3.477  -0.085   6.674  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -2.717  -0.927   8.807  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -4.077   0.996   7.311  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -3.327   0.154   9.445  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -4.001   1.115   8.697  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.037   0.027   5.640  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.054  -2.049   7.432  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.460  -2.347   5.695  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.120  -3.106   7.215  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -3.522  -0.152   5.596  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -2.170  -1.650   9.395  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -4.589   1.752   6.734  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -3.265   0.253  10.520  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.456   1.962   9.192  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.054  -2.740   4.556  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.798  -3.710   3.705  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.277  -3.881   4.182  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.736  -3.436   5.376  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.691  -3.176   2.250  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.193  -3.730   1.411  1.00  0.00           S  
ATOM    121  OXT CYS A   8       4.058  -4.527   3.265  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.330  -1.754   4.609  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.338  -4.717   3.744  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.753  -2.072   2.195  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.526  -3.532   1.620  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  C   ACE A   1      -8.004  -2.377   3.987  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.140  -1.964   4.209  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.598  -3.772   4.436  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -6.597  -4.086   4.087  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -7.605  -3.833   5.539  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -8.325  -4.514   4.061  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.064  -1.659   3.369  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.330  -0.312   2.779  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.720  -0.260   1.331  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.037  -1.114   0.499  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.882   0.740   3.851  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -7.158   2.235   3.520  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -8.043   3.002   4.528  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -7.419   3.188   5.873  1.00  0.00           N  
ATOM     15  CZ  ARG A   2      -6.553   4.149   6.208  1.00  0.00           C  
ATOM     16  NH1 ARG A   2      -6.176   4.233   7.451  1.00  0.00           N  
ATOM     17  NH2 ARG A   2      -6.058   5.011   5.354  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.208  -2.192   3.193  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.420  -0.177   2.622  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.374   0.484   4.812  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.804   0.608   4.071  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.193   2.765   3.395  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -7.644   2.320   2.528  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -8.359   3.976   4.097  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -9.001   2.455   4.646  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -7.703   2.594   6.657  1.00  0.00           H  
ATOM     27 HH11 ARG A   2      -5.525   4.984   7.692  1.00  0.00           H  
ATOM     28 HH12 ARG A   2      -6.600   3.573   8.107  1.00  0.00           H  
ATOM     29 HH21 ARG A   2      -5.410   5.722   5.696  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -6.410   4.896   4.402  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.847   0.710   1.012  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.041   0.714  -0.247  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.670  -0.054  -0.223  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.983  -0.120  -1.246  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.823   2.207  -0.566  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.685   1.390   1.759  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.633   0.275  -1.076  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -5.776   2.764  -0.647  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.201   2.715   0.195  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.306   2.335  -1.537  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.246  -0.579   0.940  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.905  -1.185   1.157  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.669  -0.220   1.023  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.391  -0.642   0.562  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.972  -1.852   2.563  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.403  -3.562   2.530  1.00  0.00           S  
HETATM   47  H   DCY A   4      -3.987  -0.613   1.647  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.768  -1.983   0.401  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.357  -1.307   3.304  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.983  -1.882   3.013  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.788   1.049   1.468  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.376   1.971   1.662  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.113   1.800   3.033  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.343   1.814   3.075  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.096   3.447   1.477  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.166   3.932   0.012  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.455   5.444  -0.084  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -0.914   5.786  -1.456  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.013   7.019  -1.957  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -1.587   7.168  -3.116  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.561   8.090  -1.349  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.752   1.288   1.718  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.145   1.760   0.892  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.076   3.601   1.971  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.587   4.125   2.027  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.794   3.719  -0.501  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.925   3.331  -0.529  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -1.232   5.739   0.651  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.463   6.000   0.201  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.287   5.058  -2.072  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -1.665   8.119  -3.479  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -1.948   6.325  -3.564  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -0.658   8.993  -1.818  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.095   7.906  -0.460  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.363   1.701   4.142  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.920   1.637   5.528  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.889   0.183   6.105  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.894  -0.302   6.626  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.176   2.661   6.443  1.00  0.00           C  
ATOM     80  CG  PHE A   6       0.198   4.130   5.968  1.00  0.00           C  
ATOM     81  CD1 PHE A   6       1.318   4.937   6.200  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -0.868   4.636   5.216  1.00  0.00           C  
ATOM     83  CE1 PHE A   6       1.372   6.227   5.677  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -0.809   5.925   4.689  1.00  0.00           C  
ATOM     85  CZ  PHE A   6       0.311   6.718   4.920  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.642   1.672   3.949  1.00  0.00           H  
ATOM     87  HA  PHE A   6       1.989   1.935   5.520  1.00  0.00           H  
ATOM     88  HB2 PHE A   6      -0.872   2.335   6.599  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.614   2.613   7.459  1.00  0.00           H  
ATOM     90  HD1 PHE A   6       2.157   4.558   6.766  1.00  0.00           H  
ATOM     91  HD2 PHE A   6      -1.731   4.019   5.009  1.00  0.00           H  
ATOM     92  HE1 PHE A   6       2.242   6.844   5.853  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -1.625   6.304   4.093  1.00  0.00           H  
ATOM     94  HZ  PHE A   6       0.362   7.717   4.508  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.249  -0.524   5.975  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.437  -1.927   6.455  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.167  -3.069   5.537  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.151  -4.243   5.740  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.974  -2.140   6.705  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.769  -1.027   7.438  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -3.498  -0.096   6.687  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -2.658  -0.854   8.822  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -4.085   1.004   7.308  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -3.252   0.243   9.442  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -3.960   1.174   8.685  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.045   0.035   5.657  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.069  -2.034   7.437  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.465  -2.354   5.737  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.107  -3.086   7.266  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -3.580  -0.202   5.615  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -2.082  -1.551   9.415  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -4.621   1.731   6.717  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -3.152   0.381  10.510  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.401   2.033   9.169  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.034  -2.746   4.553  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.755  -3.730   3.700  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.221  -3.905   4.184  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.723  -5.087   4.617  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.707  -3.244   2.230  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.206  -3.747   1.366  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.956  -2.752   4.132  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.302  -1.757   4.571  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.280  -4.729   3.750  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.816  -2.144   2.153  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.549  -3.656   1.642  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  C   ACE A   1      -8.017  -2.375   3.919  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.164  -1.964   4.085  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.619  -3.773   4.362  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -6.888  -4.250   3.683  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -7.186  -3.753   5.377  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -8.506  -4.431   4.394  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.042  -1.650   3.372  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.264  -0.283   2.811  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.701  -0.232   1.342  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.054  -1.074   0.515  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.707   0.718   3.880  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -6.975   2.232   3.638  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -8.022   2.889   4.555  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.398   2.471   4.175  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.521   2.896   4.755  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -11.656   2.458   4.295  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -10.544   3.733   5.764  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.175  -2.179   3.243  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.349  -0.089   2.700  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.100   0.441   4.880  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.615   0.556   3.984  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.021   2.772   3.792  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -7.227   2.449   2.580  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -7.803   2.644   5.617  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -7.922   3.992   4.470  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.550   1.808   3.411  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -12.506   2.796   4.749  1.00  0.00           H  
ATOM     28 HH12 ARG A   2     -11.617   1.805   3.508  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -11.447   4.004   6.155  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -9.620   4.032   6.081  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.828   0.732   1.007  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.024   0.713  -0.253  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.662  -0.073  -0.216  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.965  -0.139  -1.230  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.790   2.201  -0.579  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.629   1.399   1.757  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.618   0.273  -1.080  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -4.226   2.321  -1.523  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -5.740   2.754  -0.712  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.208   2.722   0.207  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.258  -0.615   0.948  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.911  -1.200   1.184  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.688  -0.217   1.056  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.379  -0.615   0.590  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.979  -1.859   2.595  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.407  -3.565   2.569  1.00  0.00           S  
HETATM   47  H   DCY A   4      -3.992  -0.616   1.661  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.755  -2.001   0.436  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.363  -1.312   3.333  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.991  -1.883   3.046  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.838   1.045   1.503  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.281   2.034   1.623  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.076   2.034   2.983  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.190   2.553   3.055  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.316   3.451   1.321  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.318   4.139   0.091  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.104   5.611  -0.104  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.266   5.745  -1.029  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.711   6.900  -1.532  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -2.643   6.866  -2.440  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -1.257   8.073  -1.162  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.804   1.259   1.768  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.045   1.792   0.857  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.417   3.435   1.195  1.00  0.00           H  
ATOM     65  HB3 ARG A   5      -0.182   4.112   2.201  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       1.419   4.114   0.214  1.00  0.00           H  
ATOM     67  HG3 ARG A   5       0.137   3.537  -0.823  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.321   6.088   0.876  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.766   6.163  -0.513  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.725   4.914  -1.412  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -2.949   7.762  -2.823  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -2.970   5.945  -2.739  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -1.643   8.912  -1.599  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.533   8.032  -0.441  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.466   1.509   4.050  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.950   1.572   5.462  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.852   0.162   6.131  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.834  -0.306   6.709  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.271   2.711   6.309  1.00  0.00           C  
ATOM     80  CG  PHE A   6      -1.069   3.317   5.827  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -2.270   2.628   6.011  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -1.066   4.509   5.095  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -3.453   3.116   5.457  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -2.248   4.997   4.541  1.00  0.00           C  
ATOM     85  CZ  PHE A   6      -3.439   4.299   4.720  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.451   1.123   3.805  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.038   1.793   5.455  1.00  0.00           H  
ATOM     88  HB2 PHE A   6       0.151   2.386   7.361  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       1.009   3.531   6.404  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -2.287   1.704   6.566  1.00  0.00           H  
ATOM     91  HD2 PHE A   6      -0.144   5.047   4.930  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -4.376   2.575   5.602  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -2.237   5.916   3.973  1.00  0.00           H  
ATOM     94  HZ  PHE A   6      -4.352   4.682   4.289  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.291  -0.544   6.013  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.447  -1.954   6.492  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.126  -3.080   5.531  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.276  -4.242   5.638  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.964  -2.179   6.831  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.760  -1.106   7.626  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -2.207  -0.459   8.738  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -4.031  -0.720   7.177  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -2.892   0.580   9.364  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -4.721   0.311   7.813  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -4.147   0.965   8.899  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.086  -0.004   5.664  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.112  -2.071   7.443  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.488  -2.388   5.879  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.054  -3.132   7.387  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -1.223  -0.730   9.096  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -4.485  -1.207   6.327  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -2.443   1.098  10.200  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -5.696   0.610   7.459  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.671   1.779   9.381  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.066  -2.755   4.616  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.768  -3.726   3.732  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.250  -3.880   4.164  1.00  0.00           C  
ATOM    118  O   CYS A   8       4.038  -2.843   4.538  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.698  -3.215   2.272  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.205  -3.744   1.410  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.672  -5.176   4.125  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.400  -1.790   4.716  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.293  -4.727   3.775  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.780  -2.111   2.211  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.542  -3.597   1.668  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  C   ACE A   1      -8.010  -2.388   3.907  1.00  0.00           C  
HETATM    2  O   ACE A   1      -9.164  -1.989   4.062  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -7.600  -3.786   4.339  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -8.494  -4.419   4.487  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -6.966  -4.293   3.588  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -7.052  -3.759   5.297  1.00  0.00           H  
ATOM      7  N   ARG A   2      -7.035  -1.650   3.376  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.264  -0.283   2.820  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.705  -0.221   1.351  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.081  -1.043   0.513  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -6.718   0.721   3.891  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -7.004   2.232   3.652  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -8.120   2.860   4.505  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.463   2.409   4.049  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.626   2.886   4.492  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -11.723   2.400   3.985  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -10.728   3.817   5.408  1.00  0.00           N  
ATOM     18  H   ARG A   2      -6.160  -2.170   3.258  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.350  -0.098   2.707  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -7.105   0.440   4.892  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -5.624   0.571   3.990  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -6.073   2.790   3.874  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -7.190   2.457   2.582  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -7.960   2.621   5.578  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -8.037   3.965   4.425  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.555   1.671   3.347  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -12.605   2.779   4.335  1.00  0.00           H  
ATOM     28 HH12 ARG A   2     -11.623   1.672   3.275  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -11.659   4.124   5.694  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -9.832   4.147   5.771  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.807   0.725   1.027  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.017   0.713  -0.239  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.650  -0.067  -0.216  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.942  -0.100  -1.225  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.788   2.205  -0.559  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.590   1.375   1.789  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.617   0.277  -1.063  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -4.267   2.331  -1.527  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -5.739   2.767  -0.642  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.169   2.712   0.208  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.256  -0.640   0.935  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.898  -1.196   1.186  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.690  -0.198   1.047  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.382  -0.585   0.577  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.960  -1.827   2.610  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.456  -3.556   2.607  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.000  -0.668   1.637  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.726  -2.006   0.451  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.298  -1.296   3.321  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.958  -1.795   3.091  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.851   1.061   1.499  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.262   2.056   1.625  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.060   2.045   2.982  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.197   2.516   3.046  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.338   3.473   1.331  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.329   4.185   0.132  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.092   5.657  -0.057  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.265   5.794  -0.965  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.689   6.944  -1.497  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -2.643   6.907  -2.382  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -1.193   8.115  -1.178  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.817   1.263   1.774  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.027   1.822   0.855  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.434   3.448   1.167  1.00  0.00           H  
ATOM     65  HB3 ARG A   5      -0.239   4.118   2.228  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       1.427   4.162   0.288  1.00  0.00           H  
ATOM     67  HG3 ARG A   5       0.176   3.597  -0.796  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.292   6.134   0.926  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.778   6.203  -0.479  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.757   4.965  -1.308  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -2.932   7.800  -2.788  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -3.005   5.987  -2.641  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -1.563   8.950  -1.635  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.455   8.075  -0.471  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.428   1.561   4.057  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.928   1.600   5.464  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.855   0.174   6.104  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.852  -0.296   6.657  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.239   2.712   6.340  1.00  0.00           C  
ATOM     80  CG  PHE A   6      -1.102   3.324   5.869  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -2.298   2.620   6.024  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -1.104   4.531   5.160  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -3.479   3.107   5.468  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -2.284   5.018   4.605  1.00  0.00           C  
ATOM     85  CZ  PHE A   6      -3.471   4.305   4.756  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.508   1.220   3.823  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.012   1.838   5.455  1.00  0.00           H  
ATOM     88  HB2 PHE A   6       0.115   2.357   7.383  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.971   3.533   6.464  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -2.312   1.684   6.559  1.00  0.00           H  
ATOM     91  HD2 PHE A   6      -0.183   5.079   5.014  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -4.399   2.553   5.594  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -2.276   5.948   4.053  1.00  0.00           H  
ATOM     94  HZ  PHE A   6      -4.382   4.687   4.320  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.284  -0.540   5.993  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.430  -1.948   6.480  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.138  -3.076   5.519  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.288  -4.230   5.615  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.945  -2.178   6.824  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.749  -1.111   7.619  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -2.197  -0.450   8.723  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -4.030  -0.747   7.181  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -2.891   0.581   9.352  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -4.730   0.275   7.818  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -4.157   0.943   8.897  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.087  -0.001   5.661  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.133  -2.059   7.428  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.473  -2.392   5.874  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.029  -3.130   7.382  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -1.206  -0.705   9.074  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -4.484  -1.246   6.338  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -2.444   1.109  10.182  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -5.715   0.557   7.471  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.691   1.749   9.379  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.097  -2.768   4.617  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.765  -3.755   3.724  1.00  0.00           C  
ATOM    117  C   CYS A   8       3.225  -3.990   4.216  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.533  -4.827   5.237  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.648  -3.261   2.257  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.137  -3.806   1.436  1.00  0.00           S  
ATOM    121  OXT CYS A   8       4.170  -3.278   3.528  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.417  -1.795   4.691  1.00  0.00           H  
ATOM    123  HA  CYS A   8       1.272  -4.745   3.779  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.727  -2.160   2.179  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.480  -3.650   1.640  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  C   ACE A   1      -7.166  -2.882   3.419  1.00  0.00           C  
HETATM    2  O   ACE A   1      -8.251  -3.134   2.898  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -6.365  -3.983   4.097  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -7.048  -4.690   4.600  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -5.794  -4.558   3.347  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -5.657  -3.613   4.860  1.00  0.00           H  
ATOM      7  N   ARG A   2      -6.616  -1.667   3.439  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.269  -0.466   2.836  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.717  -0.193   1.394  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.005  -0.970   0.483  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -7.177   0.685   3.898  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -8.406   0.834   4.829  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -9.667   1.473   4.187  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.439   2.807   3.549  1.00  0.00           N  
ATOM     15  CZ  ARG A   2      -9.227   3.960   4.188  1.00  0.00           C  
ATOM     16  NH1 ARG A   2      -8.955   5.019   3.481  1.00  0.00           N  
ATOM     17  NH2 ARG A   2      -9.273   4.083   5.490  1.00  0.00           N  
ATOM     18  H   ARG A   2      -5.736  -1.635   3.957  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.344  -0.670   2.659  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -6.264   0.579   4.519  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -7.020   1.661   3.406  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -8.671  -0.159   5.249  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -8.106   1.427   5.712  1.00  0.00           H  
ATOM     24  HD2 ARG A   2     -10.063   0.780   3.417  1.00  0.00           H  
ATOM     25  HD3 ARG A   2     -10.492   1.526   4.926  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.387   2.890   2.527  1.00  0.00           H  
ATOM     27 HH11 ARG A   2      -8.793   5.889   3.990  1.00  0.00           H  
ATOM     28 HH12 ARG A   2      -8.927   4.906   2.466  1.00  0.00           H  
ATOM     29 HH21 ARG A   2      -9.103   4.999   5.907  1.00  0.00           H  
ATOM     30 HH22 ARG A   2      -9.510   3.215   5.975  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.907   0.859   1.163  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.074   0.980  -0.074  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.745   0.138  -0.124  1.00  0.00           C  
ATOM     34  O   ALA A   3      -3.045   0.145  -1.139  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.766   2.488  -0.197  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.735   1.454   1.977  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.671   0.682  -0.958  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -5.685   3.104  -0.226  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.138   2.861   0.635  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.215   2.706  -1.131  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.374  -0.528   0.985  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -2.054  -1.180   1.195  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.773  -0.278   1.026  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.262  -0.745   0.552  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -2.146  -1.801   2.624  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.651  -3.531   2.649  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.134  -0.599   1.667  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.966  -2.004   0.458  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.506  -1.258   3.346  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -3.155  -1.776   3.078  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.845   0.999   1.451  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.323   1.936   1.515  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.144   1.976   2.856  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.230   2.561   2.899  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.228   3.364   1.184  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.091   3.882  -0.244  1.00  0.00           C  
ATOM     57  CD  ARG A   5       0.561   5.350  -0.291  1.00  0.00           C  
ATOM     58  NE  ARG A   5       1.932   5.457   0.289  1.00  0.00           N  
ATOM     59  CZ  ARG A   5       2.722   6.527   0.226  1.00  0.00           C  
ATOM     60  NH1 ARG A   5       3.916   6.439   0.736  1.00  0.00           N  
ATOM     61  NH2 ARG A   5       2.361   7.661  -0.320  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.798   1.275   1.706  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.068   1.638   0.750  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.320   3.446   1.363  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.159   4.094   1.924  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.842   3.246  -0.755  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.813   3.763  -0.871  1.00  0.00           H  
ATOM     68  HD2 ARG A   5       0.549   5.694  -1.346  1.00  0.00           H  
ATOM     69  HD3 ARG A   5      -0.156   5.999   0.256  1.00  0.00           H  
ATOM     70  HE  ARG A   5       2.345   4.656   0.778  1.00  0.00           H  
ATOM     71 HH11 ARG A   5       4.515   7.264   0.665  1.00  0.00           H  
ATOM     72 HH12 ARG A   5       4.176   5.541   1.149  1.00  0.00           H  
ATOM     73 HH21 ARG A   5       3.028   8.435  -0.329  1.00  0.00           H  
ATOM     74 HH22 ARG A   5       1.406   7.665  -0.683  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.578   1.434   3.936  1.00  0.00           N  
ATOM     76  CA  PHE A   6       1.057   1.582   5.342  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.867   0.231   6.105  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.826  -0.270   6.695  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.457   2.823   6.095  1.00  0.00           C  
ATOM     80  CG  PHE A   6      -0.893   3.415   5.627  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -2.106   2.825   5.996  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -0.902   4.503   4.747  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -3.308   3.305   5.475  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -2.102   4.983   4.229  1.00  0.00           C  
ATOM     85  CZ  PHE A   6      -3.304   4.379   4.589  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.320   0.997   3.709  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.157   1.730   5.323  1.00  0.00           H  
ATOM     88  HB2 PHE A   6       0.397   2.615   7.181  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       1.217   3.628   6.056  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -2.119   1.990   6.679  1.00  0.00           H  
ATOM     91  HD2 PHE A   6       0.026   4.967   4.444  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -4.242   2.843   5.762  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -2.099   5.820   3.544  1.00  0.00           H  
ATOM     94  HZ  PHE A   6      -4.234   4.754   4.185  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.323  -0.402   6.042  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.550  -1.786   6.565  1.00  0.00           C  
ATOM     97  C   PHE A   7      -0.088  -2.968   5.609  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.602  -4.085   5.713  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -2.061  -1.897   6.971  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.733  -0.770   7.804  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -3.997  -0.295   7.425  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -2.075  -0.164   8.882  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -4.578   0.779   8.097  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -2.651   0.920   9.544  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -3.901   1.390   9.148  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.088   0.172   5.677  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.040  -1.919   7.494  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.643  -2.061   6.043  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.199  -2.842   7.531  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -4.530  -0.747   6.602  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -1.096  -0.502   9.185  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -5.548   1.147   7.797  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -2.123   1.401  10.353  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.342   2.236   9.657  1.00  0.00           H  
ATOM    115  N   CYS A   8       0.887  -2.738   4.704  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.515  -3.775   3.837  1.00  0.00           C  
ATOM    117  C   CYS A   8       2.991  -4.056   4.252  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.673  -3.324   5.167  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.455  -3.276   2.369  1.00  0.00           C  
ATOM    120  SG  CYS A   8      -0.039  -3.805   1.512  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.517  -5.124   3.586  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.314  -1.811   4.815  1.00  0.00           H  
ATOM    123  HA  CYS A   8       0.977  -4.741   3.905  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.547  -2.176   2.291  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.292  -3.672   1.764  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  C   ACE A   1      -7.141  -2.860   3.436  1.00  0.00           C  
HETATM    2  O   ACE A   1      -8.241  -3.111   2.944  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -6.322  -3.951   4.103  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -5.315  -4.041   3.655  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -6.212  -3.769   5.186  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -6.820  -4.930   3.985  1.00  0.00           H  
ATOM      7  N   ARG A   2      -6.587  -1.644   3.443  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.247  -0.452   2.831  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.713  -0.179   1.386  1.00  0.00           C  
ATOM     10  O   ARG A   2      -7.044  -0.937   0.473  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -7.230   0.717   3.876  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -8.503   0.800   4.760  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -9.660   1.671   4.194  1.00  0.00           C  
ATOM     14  NE  ARG A   2     -10.126   1.314   2.817  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.888   0.268   2.493  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -11.117   0.041   1.231  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -11.403  -0.552   3.373  1.00  0.00           N  
ATOM     18  H   ARG A   2      -5.700  -1.612   3.951  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.307  -0.695   2.637  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -6.333   0.645   4.525  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -7.103   1.696   3.378  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -8.861  -0.218   5.007  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -8.218   1.226   5.742  1.00  0.00           H  
ATOM     24  HD2 ARG A   2     -10.510   1.690   4.906  1.00  0.00           H  
ATOM     25  HD3 ARG A   2      -9.319   2.725   4.178  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -9.810   1.855   2.006  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -11.678  -0.782   1.003  1.00  0.00           H  
ATOM     28 HH12 ARG A   2     -10.680   0.670   0.555  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -11.954  -1.347   3.040  1.00  0.00           H  
ATOM     30 HH22 ARG A   2     -11.168  -0.323   4.338  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.883   0.853   1.156  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.051   0.953  -0.083  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.727   0.104  -0.120  1.00  0.00           C  
ATOM     34  O   ALA A   3      -3.019   0.103  -1.129  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.744   2.458  -0.233  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.709   1.458   1.963  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.647   0.641  -0.965  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -5.665   3.068  -0.306  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.147   2.856   0.610  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.166   2.660  -1.154  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.364  -0.560   0.994  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -2.031  -1.181   1.231  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.767  -0.256   1.061  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.288  -0.717   0.625  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -2.118  -1.777   2.670  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.709  -3.530   2.710  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.120  -0.608   1.683  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.918  -2.012   0.509  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.429  -1.265   3.366  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -3.109  -1.684   3.156  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.872   1.030   1.448  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.277   1.989   1.521  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.099   2.033   2.861  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.186   2.615   2.906  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.304   3.406   1.205  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.005   3.938  -0.220  1.00  0.00           C  
ATOM     57  CD  ARG A   5       0.469   5.409  -0.259  1.00  0.00           C  
ATOM     58  NE  ARG A   5       1.842   5.516   0.315  1.00  0.00           N  
ATOM     59  CZ  ARG A   5       2.634   6.584   0.241  1.00  0.00           C  
ATOM     60  NH1 ARG A   5       3.831   6.498   0.744  1.00  0.00           N  
ATOM     61  NH2 ARG A   5       2.273   7.716  -0.311  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.834   1.292   1.682  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.026   1.710   0.753  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.396   3.466   1.384  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.067   4.139   1.951  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.755   3.310  -0.743  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.903   3.822  -0.842  1.00  0.00           H  
ATOM     68  HD2 ARG A   5       0.449   5.759  -1.312  1.00  0.00           H  
ATOM     69  HD3 ARG A   5      -0.247   6.050   0.296  1.00  0.00           H  
ATOM     70  HE  ARG A   5       2.255   4.718   0.809  1.00  0.00           H  
ATOM     71 HH11 ARG A   5       4.432   7.321   0.665  1.00  0.00           H  
ATOM     72 HH12 ARG A   5       4.092   5.602   1.164  1.00  0.00           H  
ATOM     73 HH21 ARG A   5       2.941   8.488  -0.331  1.00  0.00           H  
ATOM     74 HH22 ARG A   5       1.314   7.718  -0.668  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.531   1.487   3.938  1.00  0.00           N  
ATOM     76  CA  PHE A   6       1.011   1.615   5.344  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.873   0.236   6.066  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.850  -0.258   6.629  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.356   2.810   6.130  1.00  0.00           C  
ATOM     80  CG  PHE A   6      -0.987   3.404   5.639  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.992   4.589   4.893  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -2.190   2.722   5.843  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -2.178   5.073   4.345  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -3.375   3.201   5.289  1.00  0.00           C  
ATOM     85  CZ  PHE A   6      -3.367   4.375   4.540  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.372   1.064   3.707  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.104   1.810   5.330  1.00  0.00           H  
ATOM     88  HB2 PHE A   6       0.249   2.548   7.202  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       1.104   3.625   6.167  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -0.071   5.129   4.718  1.00  0.00           H  
ATOM     91  HD2 PHE A   6      -2.206   1.812   6.418  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -2.174   5.988   3.771  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -4.301   2.666   5.447  1.00  0.00           H  
ATOM     94  HZ  PHE A   6      -4.286   4.753   4.114  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.305  -0.421   6.004  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.519  -1.796   6.554  1.00  0.00           C  
ATOM     97  C   PHE A   7      -0.065  -2.991   5.614  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.581  -4.102   5.747  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -2.028  -1.906   6.973  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.712  -0.767   7.780  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -3.997  -0.345   7.415  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -2.045  -0.099   8.816  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -4.591   0.743   8.053  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -2.635   0.997   9.444  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -3.907   1.417   9.060  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.083   0.145   5.652  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.080  -1.908   7.481  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.612  -2.098   6.052  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.154  -2.838   7.555  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -4.537  -0.846   6.625  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -1.049  -0.397   9.109  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -5.577   1.072   7.760  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -2.102   1.528  10.220  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.358   2.273   9.543  1.00  0.00           H  
ATOM    115  N   CYS A   8       0.899  -2.783   4.692  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.490  -3.845   3.828  1.00  0.00           C  
ATOM    117  C   CYS A   8       2.955  -4.116   4.266  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.339  -5.241   4.918  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.403  -3.418   2.341  1.00  0.00           C  
ATOM    120  SG  CYS A   8      -0.141  -3.902   1.541  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.821  -3.111   3.932  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.300  -1.840   4.734  1.00  0.00           H  
ATOM    123  HA  CYS A   8       0.948  -4.805   3.940  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.549  -2.329   2.213  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.208  -3.885   1.742  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  C   ACE A   1      -7.139  -2.867   3.403  1.00  0.00           C  
HETATM    2  O   ACE A   1      -8.183  -3.149   2.820  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -6.339  -3.957   4.100  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -6.984  -4.499   4.813  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -5.981  -4.693   3.360  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -5.459  -3.589   4.659  1.00  0.00           H  
ATOM      7  N   ARG A   2      -6.639  -1.631   3.471  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.293  -0.450   2.828  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.715  -0.206   1.390  1.00  0.00           C  
ATOM     10  O   ARG A   2      -6.988  -1.002   0.488  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -7.229   0.730   3.856  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -8.413   0.810   4.858  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -9.713   1.421   4.291  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.536   2.875   4.007  1.00  0.00           N  
ATOM     15  CZ  ARG A   2     -10.470   3.695   3.528  1.00  0.00           C  
ATOM     16  NH1 ARG A   2     -10.139   4.931   3.285  1.00  0.00           N  
ATOM     17  NH2 ARG A   2     -11.704   3.327   3.291  1.00  0.00           N  
ATOM     18  H   ARG A   2      -5.791  -1.570   4.040  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.364  -0.669   2.641  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -6.274   0.702   4.421  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -7.176   1.696   3.323  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -8.624  -0.205   5.250  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -8.102   1.381   5.756  1.00  0.00           H  
ATOM     24  HD2 ARG A   2     -10.026   0.871   3.379  1.00  0.00           H  
ATOM     25  HD3 ARG A   2     -10.529   1.271   5.029  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -8.625   3.320   4.151  1.00  0.00           H  
ATOM     27 HH11 ARG A   2     -10.868   5.546   2.920  1.00  0.00           H  
ATOM     28 HH12 ARG A   2      -9.170   5.198   3.471  1.00  0.00           H  
ATOM     29 HH21 ARG A   2     -12.363   4.023   2.935  1.00  0.00           H  
ATOM     30 HH22 ARG A   2     -11.899   2.349   3.508  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.902   0.841   1.156  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.065   0.956  -0.080  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.734   0.118  -0.121  1.00  0.00           C  
ATOM     34  O   ALA A   3      -3.030   0.125  -1.133  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.766   2.463  -0.211  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.754   1.460   1.956  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.660   0.648  -0.964  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -5.689   3.072  -0.262  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.157   2.850   0.629  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -4.202   2.679  -1.138  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.362  -0.544   0.990  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -2.036  -1.183   1.206  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.764  -0.265   1.047  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.283  -0.728   0.596  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -2.124  -1.809   2.633  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.650  -3.546   2.645  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.123  -0.616   1.671  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -1.934  -2.002   0.467  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.470  -1.280   3.350  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -3.128  -1.771   3.096  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.856   1.015   1.456  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.299   1.967   1.524  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.126   2.009   2.862  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.203   2.607   2.907  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.271   3.388   1.205  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.039   3.920  -0.219  1.00  0.00           C  
ATOM     57  CD  ARG A   5       0.498   5.393  -0.258  1.00  0.00           C  
ATOM     58  NE  ARG A   5       1.870   5.506   0.317  1.00  0.00           N  
ATOM     59  CZ  ARG A   5       2.655   6.577   0.250  1.00  0.00           C  
ATOM     60  NH1 ARG A   5       3.852   6.495   0.753  1.00  0.00           N  
ATOM     61  NH2 ARG A   5       2.288   7.712  -0.294  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.815   1.281   1.698  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.046   1.683   0.754  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.364   3.454   1.386  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       0.105   4.118   1.950  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       0.792   3.294  -0.740  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -0.868   3.800  -0.844  1.00  0.00           H  
ATOM     68  HD2 ARG A   5       0.478   5.743  -1.310  1.00  0.00           H  
ATOM     69  HD3 ARG A   5      -0.221   6.031   0.297  1.00  0.00           H  
ATOM     70  HE  ARG A   5       2.287   4.705   0.806  1.00  0.00           H  
ATOM     71 HH11 ARG A   5       4.449   7.321   0.679  1.00  0.00           H  
ATOM     72 HH12 ARG A   5       4.119   5.598   1.166  1.00  0.00           H  
ATOM     73 HH21 ARG A   5       2.952   8.487  -0.309  1.00  0.00           H  
ATOM     74 HH22 ARG A   5       1.331   7.710  -0.652  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.572   1.446   3.938  1.00  0.00           N  
ATOM     76  CA  PHE A   6       1.056   1.585   5.343  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.882   0.221   6.087  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.852  -0.290   6.650  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.440   2.811   6.114  1.00  0.00           C  
ATOM     80  CG  PHE A   6      -0.907   3.406   5.641  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.916   4.529   4.808  1.00  0.00           C  
ATOM     82  CD2 PHE A   6      -2.119   2.783   5.958  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -2.113   5.011   4.283  1.00  0.00           C  
ATOM     84  CE2 PHE A   6      -3.316   3.263   5.430  1.00  0.00           C  
ATOM     85  CZ  PHE A   6      -3.311   4.373   4.591  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.321   1.003   3.709  1.00  0.00           H  
ATOM     87  HA  PHE A   6       2.152   1.747   5.323  1.00  0.00           H  
ATOM     88  HB2 PHE A   6       0.367   2.581   7.194  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       1.198   3.617   6.100  1.00  0.00           H  
ATOM     90  HD1 PHE A   6       0.013   5.020   4.545  1.00  0.00           H  
ATOM     91  HD2 PHE A   6      -2.131   1.920   6.606  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -2.108   5.877   3.636  1.00  0.00           H  
ATOM     93  HE2 PHE A   6      -4.249   2.773   5.676  1.00  0.00           H  
ATOM     94  HZ  PHE A   6      -4.238   4.748   4.181  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.310  -0.411   6.035  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.535  -1.796   6.556  1.00  0.00           C  
ATOM     97  C   PHE A   7      -0.069  -2.981   5.607  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.556  -4.105   5.746  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -2.048  -1.913   6.953  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.730  -0.790   7.783  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -2.086  -0.198   8.877  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -3.985  -0.306   7.387  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -2.668   0.881   9.539  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -4.570   0.766   8.059  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -3.907   1.364   9.127  1.00  0.00           C  
ATOM    106  H   PHE A   7      -1.079   0.168   5.688  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.050  -1.924   7.489  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.624  -2.080   6.021  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.184  -2.859   7.512  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -1.114  -0.547   9.196  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -4.503  -0.745   6.549  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -2.153   1.353  10.363  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -5.533   1.144   7.744  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -4.352   2.208   9.637  1.00  0.00           H  
ATOM    115  N   CYS A   8       0.877  -2.749   4.671  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.505  -3.799   3.821  1.00  0.00           C  
ATOM    117  C   CYS A   8       2.965  -4.057   4.284  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.389  -5.246   4.776  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.463  -3.356   2.335  1.00  0.00           C  
ATOM    120  SG  CYS A   8      -0.054  -3.841   1.491  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.783  -2.967   4.146  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.267  -1.801   4.724  1.00  0.00           H  
ATOM    123  HA  CYS A   8       0.971  -4.765   3.908  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.606  -2.265   2.224  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.287  -3.812   1.756  1.00  0.00           H  
TER     126      CYS A   8                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  C   ACE A   1      -7.134  -2.857   3.374  1.00  0.00           C  
HETATM    2  O   ACE A   1      -8.186  -3.147   2.807  1.00  0.00           O  
HETATM    3  CH3 ACE A   1      -6.315  -3.922   4.080  1.00  0.00           C  
HETATM    4  H1  ACE A   1      -5.352  -4.097   3.566  1.00  0.00           H  
HETATM    5  H2  ACE A   1      -6.109  -3.657   5.132  1.00  0.00           H  
HETATM    6  H3  ACE A   1      -6.860  -4.884   4.087  1.00  0.00           H  
ATOM      7  N   ARG A   2      -6.629  -1.623   3.424  1.00  0.00           N  
ATOM      8  CA  ARG A   2      -7.299  -0.444   2.793  1.00  0.00           C  
ATOM      9  C   ARG A   2      -6.683  -0.144   1.386  1.00  0.00           C  
ATOM     10  O   ARG A   2      -6.933  -0.904   0.447  1.00  0.00           O  
ATOM     11  CB  ARG A   2      -7.312   0.706   3.853  1.00  0.00           C  
ATOM     12  CG  ARG A   2      -8.462   0.614   4.893  1.00  0.00           C  
ATOM     13  CD  ARG A   2      -9.556   1.694   4.723  1.00  0.00           C  
ATOM     14  NE  ARG A   2      -9.170   2.994   5.351  1.00  0.00           N  
ATOM     15  CZ  ARG A   2      -9.339   3.313   6.637  1.00  0.00           C  
ATOM     16  NH1 ARG A   2      -8.960   4.492   7.041  1.00  0.00           N  
ATOM     17  NH2 ARG A   2      -9.862   2.499   7.521  1.00  0.00           N  
ATOM     18  H   ARG A   2      -5.785  -1.560   3.998  1.00  0.00           H  
ATOM     19  HA  ARG A   2      -8.358  -0.681   2.560  1.00  0.00           H  
ATOM     20  HB2 ARG A   2      -6.338   0.757   4.381  1.00  0.00           H  
ATOM     21  HB3 ARG A   2      -7.371   1.684   3.339  1.00  0.00           H  
ATOM     22  HG2 ARG A   2      -8.938  -0.386   4.843  1.00  0.00           H  
ATOM     23  HG3 ARG A   2      -8.041   0.643   5.918  1.00  0.00           H  
ATOM     24  HD2 ARG A   2      -9.764   1.852   3.644  1.00  0.00           H  
ATOM     25  HD3 ARG A   2     -10.528   1.331   5.111  1.00  0.00           H  
ATOM     26  HE  ARG A   2      -8.742   3.740   4.794  1.00  0.00           H  
ATOM     27 HH11 ARG A   2      -9.102   4.709   8.030  1.00  0.00           H  
ATOM     28 HH12 ARG A   2      -8.557   5.118   6.343  1.00  0.00           H  
ATOM     29 HH21 ARG A   2      -9.961   2.812   8.488  1.00  0.00           H  
ATOM     30 HH22 ARG A   2     -10.125   1.590   7.136  1.00  0.00           H  
ATOM     31  N   ALA A   3      -5.855   0.904   1.217  1.00  0.00           N  
ATOM     32  CA  ALA A   3      -5.001   1.064   0.002  1.00  0.00           C  
ATOM     33  C   ALA A   3      -3.703   0.177  -0.086  1.00  0.00           C  
ATOM     34  O   ALA A   3      -2.967   0.263  -1.073  1.00  0.00           O  
ATOM     35  CB  ALA A   3      -4.645   2.565  -0.036  1.00  0.00           C  
ATOM     36  H   ALA A   3      -5.730   1.494   2.044  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -5.596   0.835  -0.905  1.00  0.00           H  
ATOM     38  HB1 ALA A   3      -4.033   2.878   0.831  1.00  0.00           H  
ATOM     39  HB2 ALA A   3      -4.063   2.814  -0.945  1.00  0.00           H  
ATOM     40  HB3 ALA A   3      -5.545   3.208  -0.058  1.00  0.00           H  
HETATM   41  N   DCY A   4      -3.392  -0.613   0.958  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -2.090  -1.311   1.147  1.00  0.00           C  
HETATM   43  C   DCY A   4      -0.795  -0.422   1.056  1.00  0.00           C  
HETATM   44  O   DCY A   4       0.228  -0.868   0.535  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -2.208  -2.026   2.527  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.579  -3.714   2.482  1.00  0.00           S  
HETATM   47  H   DCY A   4      -4.171  -0.718   1.615  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.008  -2.085   0.360  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.664  -1.477   3.319  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -3.243  -2.110   2.910  1.00  0.00           H  
ATOM     51  N   ARG A   5      -0.851   0.821   1.572  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.298   1.772   1.595  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.019   1.800   2.983  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.243   1.662   3.043  1.00  0.00           O  
ATOM     55  CB  ARG A   5      -0.192   3.184   1.123  1.00  0.00           C  
ATOM     56  CG  ARG A   5       0.648   3.783  -0.032  1.00  0.00           C  
ATOM     57  CD  ARG A   5       0.408   5.281  -0.304  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -0.857   5.532  -1.052  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.332   6.741  -1.369  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -2.391   6.816  -2.124  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.786   7.862  -0.965  1.00  0.00           N  
ATOM     62  H   ARG A   5      -1.801   1.079   1.855  1.00  0.00           H  
ATOM     63  HA  ARG A   5       1.067   1.415   0.878  1.00  0.00           H  
ATOM     64  HB2 ARG A   5      -1.253   3.170   0.804  1.00  0.00           H  
ATOM     65  HB3 ARG A   5      -0.190   3.891   1.977  1.00  0.00           H  
ATOM     66  HG2 ARG A   5       1.722   3.657   0.212  1.00  0.00           H  
ATOM     67  HG3 ARG A   5       0.505   3.186  -0.956  1.00  0.00           H  
ATOM     68  HD2 ARG A   5       0.432   5.838   0.656  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       1.264   5.668  -0.895  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.391   4.753  -1.445  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -2.722   7.752  -2.366  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -2.790   5.935  -2.457  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -1.207   8.748  -1.254  1.00  0.00           H  
ATOM     74 HH22 ARG A   5       0.043   7.736  -0.382  1.00  0.00           H  
ATOM     75  N   PHE A   6       0.266   1.975   4.083  1.00  0.00           N  
ATOM     76  CA  PHE A   6       0.816   1.978   5.479  1.00  0.00           C  
ATOM     77  C   PHE A   6       0.615   0.637   6.281  1.00  0.00           C  
ATOM     78  O   PHE A   6       1.047   0.552   7.432  1.00  0.00           O  
ATOM     79  CB  PHE A   6       0.221   3.208   6.240  1.00  0.00           C  
ATOM     80  CG  PHE A   6       0.388   4.582   5.549  1.00  0.00           C  
ATOM     81  CD1 PHE A   6      -0.698   5.164   4.887  1.00  0.00           C  
ATOM     82  CD2 PHE A   6       1.654   5.168   5.435  1.00  0.00           C  
ATOM     83  CE1 PHE A   6      -0.519   6.302   4.104  1.00  0.00           C  
ATOM     84  CE2 PHE A   6       1.832   6.307   4.651  1.00  0.00           C  
ATOM     85  CZ  PHE A   6       0.748   6.869   3.982  1.00  0.00           C  
ATOM     86  H   PHE A   6      -0.724   2.148   3.893  1.00  0.00           H  
ATOM     87  HA  PHE A   6       1.915   2.126   5.449  1.00  0.00           H  
ATOM     88  HB2 PHE A   6      -0.847   3.019   6.463  1.00  0.00           H  
ATOM     89  HB3 PHE A   6       0.686   3.267   7.244  1.00  0.00           H  
ATOM     90  HD1 PHE A   6      -1.680   4.714   4.946  1.00  0.00           H  
ATOM     91  HD2 PHE A   6       2.509   4.719   5.920  1.00  0.00           H  
ATOM     92  HE1 PHE A   6      -1.358   6.735   3.579  1.00  0.00           H  
ATOM     93  HE2 PHE A   6       2.816   6.743   4.550  1.00  0.00           H  
ATOM     94  HZ  PHE A   6       0.891   7.745   3.366  1.00  0.00           H  
ATOM     95  N   PHE A   7      -0.027  -0.398   5.696  1.00  0.00           N  
ATOM     96  CA  PHE A   7      -0.345  -1.691   6.384  1.00  0.00           C  
ATOM     97  C   PHE A   7       0.005  -2.945   5.488  1.00  0.00           C  
ATOM     98  O   PHE A   7      -0.759  -3.914   5.434  1.00  0.00           O  
ATOM     99  CB  PHE A   7      -1.850  -1.671   6.830  1.00  0.00           C  
ATOM    100  CG  PHE A   7      -2.344  -0.465   7.660  1.00  0.00           C  
ATOM    101  CD1 PHE A   7      -3.081   0.552   7.040  1.00  0.00           C  
ATOM    102  CD2 PHE A   7      -1.977  -0.324   9.002  1.00  0.00           C  
ATOM    103  CE1 PHE A   7      -3.430   1.700   7.747  1.00  0.00           C  
ATOM    104  CE2 PHE A   7      -2.328   0.825   9.708  1.00  0.00           C  
ATOM    105  CZ  PHE A   7      -3.050   1.838   9.079  1.00  0.00           C  
ATOM    106  H   PHE A   7      -0.284  -0.205   4.724  1.00  0.00           H  
ATOM    107  HA  PHE A   7       0.271  -1.800   7.299  1.00  0.00           H  
ATOM    108  HB2 PHE A   7      -2.487  -1.786   5.932  1.00  0.00           H  
ATOM    109  HB3 PHE A   7      -2.057  -2.593   7.406  1.00  0.00           H  
ATOM    110  HD1 PHE A   7      -3.353   0.471   5.998  1.00  0.00           H  
ATOM    111  HD2 PHE A   7      -1.390  -1.089   9.491  1.00  0.00           H  
ATOM    112  HE1 PHE A   7      -3.979   2.492   7.259  1.00  0.00           H  
ATOM    113  HE2 PHE A   7      -2.025   0.939  10.740  1.00  0.00           H  
ATOM    114  HZ  PHE A   7      -3.307   2.735   9.626  1.00  0.00           H  
ATOM    115  N   CYS A   8       1.157  -2.932   4.786  1.00  0.00           N  
ATOM    116  CA  CYS A   8       1.545  -3.961   3.779  1.00  0.00           C  
ATOM    117  C   CYS A   8       2.943  -4.569   4.080  1.00  0.00           C  
ATOM    118  O   CYS A   8       3.872  -3.978   4.870  1.00  0.00           O  
ATOM    119  CB  CYS A   8       1.520  -3.305   2.370  1.00  0.00           C  
ATOM    120  SG  CYS A   8       0.092  -3.831   1.402  1.00  0.00           S  
ATOM    121  OXT CYS A   8       3.125  -5.768   3.454  1.00  0.00           O  
ATOM    122  H   CYS A   8       1.713  -2.082   4.923  1.00  0.00           H  
ATOM    123  HA  CYS A   8       0.834  -4.811   3.784  1.00  0.00           H  
ATOM    124  HB2 CYS A   8       1.528  -2.198   2.402  1.00  0.00           H  
ATOM    125  HB3 CYS A   8       2.408  -3.570   1.765  1.00  0.00           H  
TER     126      CYS A   8                                                      
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                                                                
CONECT   33   41                                                                
CONECT   41   33   42   47                                                      
CONECT   42   41   43   45   48                                                 
CONECT   43   42   44   51                                                      
CONECT   44   43                                                                
CONECT   45   42   46   49   50                                                 
CONECT   46   45  120                                                           
CONECT   47   41                                                                
CONECT   48   42                                                                
CONECT   49   45                                                                
CONECT   50   45                                                                
CONECT   51   43                                                                
CONECT  120   46                                                                
MASTER      172    0    2    0    0    0    0    6   65    1   20    1          
END