HEADER    PEPTIDE BINDING PROTEIN                 24-JUL-17   5OJT              
TITLE     STRUCTURE-ACTIVITY RELATIONSHIPS AND BIOLOGICAL CHARACTERIZATION OF A 
TITLE    2 NOVEL, POTENT AND SERUM STABLE C-X-C CHEMOKINE RECEPTOR TYPE 4       
TITLE    3 (CXCR4) ANTAGONIST                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN;                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
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, PEPTIDE BINDING PROTEIN                                        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    D.BRANCACCIO,A.CAROTENUTO                                             
REVDAT   4   15-NOV-23 5OJT    1       ATOM                                     
REVDAT   3   04-MAY-22 5OJT    1       HETSYN SSBOND LINK                       
REVDAT   2   27-DEC-17 5OJT    1       JRNL                                     
REVDAT   1   22-NOV-17 5OJT    0                                                
JRNL        AUTH   S.DI MARO,F.S.DI LEVA,A.M.TROTTA,D.BRANCACCIO,L.PORTELLA,    
JRNL        AUTH 2 M.AURILIO,S.TOMASSI,A.MESSERE,D.SEMENTA,S.LASTORIA,          
JRNL        AUTH 3 A.CAROTENUTO,E.NOVELLINO,S.SCALA,L.MARINELLI                 
JRNL        TITL   STRUCTURE-ACTIVITY RELATIONSHIPS AND BIOLOGICAL              
JRNL        TITL 2 CHARACTERIZATION OF A NOVEL, POTENT, AND SERUM STABLE C-X-C  
JRNL        TITL 3 CHEMOKINE RECEPTOR TYPE 4 (CXCR4) ANTAGONIST.                
JRNL        REF    J. MED. CHEM.                 V.  60  9641 2017              
JRNL        REFN                   ISSN 1520-4804                               
JRNL        PMID   29125295                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.7B01062                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DYANA                                                
REMARK   3   AUTHORS     : GUNTERT, BRAUN AND WUTHRICH                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5OJT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 24-JUL-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200005934.                                   
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 NA PEPTIDE, 200 MM [U-99%     
REMARK 210                                   2H] SDS, 90% H2O/10% D2O           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;    
REMARK 210                                   2D DQF-COSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XEASY, NMRPIPE, VNMR               
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: 490 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 990 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 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. =   3.8 DEGREES          
REMARK 500  1 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 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. =   3.8 DEGREES          
REMARK 500  2 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.7 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. =   3.8 DEGREES          
REMARK 500  3 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.7 DEGREES          
REMARK 500  4 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  4 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  4 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500  5 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  5 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.9 DEGREES          
REMARK 500  5 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.5 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. =   3.8 DEGREES          
REMARK 500  6 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500  7 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  7 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  7 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 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. =   3.8 DEGREES          
REMARK 500  8 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 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. =   3.8 DEGREES          
REMARK 500  9 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.7 DEGREES          
REMARK 500 10 ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 10 ARG A   5   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 10 HIS A   7   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.9 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 ARG A   5      -56.47   -146.81                                   
REMARK 500  1 NAL A   6      -65.50   -103.87                                   
REMARK 500  2 ARG A   5      -57.49   -148.46                                   
REMARK 500  2 NAL A   6      -69.49   -104.09                                   
REMARK 500  3 ARG A   5      -57.33   -148.66                                   
REMARK 500  3 NAL A   6      -69.99   -103.70                                   
REMARK 500  4 ARG A   5      -56.25   -146.63                                   
REMARK 500  4 NAL A   6      -65.28   -104.86                                   
REMARK 500  5 ARG A   5      -56.92   -149.25                                   
REMARK 500  5 NAL A   6      -66.31   -104.43                                   
REMARK 500  6 ARG A   5      -56.97   -149.13                                   
REMARK 500  6 NAL A   6      -65.75   -105.51                                   
REMARK 500  7 ARG A   5      -59.23   -146.19                                   
REMARK 500  7 NAL A   6      -70.85   -103.90                                   
REMARK 500  8 ARG A   5      -58.14   -146.67                                   
REMARK 500  8 NAL A   6      -65.87   -102.33                                   
REMARK 500  9 ARG A   5      -56.81   -149.41                                   
REMARK 500  9 NAL A   6      -70.69   -103.92                                   
REMARK 500 10 ARG A   5      -57.27   -145.91                                   
REMARK 500 10 NAL A   6      -65.25   -105.42                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 34165   RELATED DB: BMRB                                 
REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS AND BIOLOGICAL CHARACTERIZATION OF  
REMARK 900 A NOVEL, POTENT AND SERUM STABLE C-X-C CHEMOKINE RECEPTOR TYPE 4     
REMARK 900 (CXCR4) ANTAGONIST                                                   
DBREF  5OJT A    1     8  PDB    5OJT     5OJT             1      8             
SEQRES   1 A    8  ACE ARG ALA DCY ARG NAL HIS LE1                              
HET    ACE  A   1       6                                                       
HET    DCY  A   4      10                                                       
HET    NAL  A   6      26                                                       
HET    LE1  A   8      18                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     DCY D-CYSTEINE                                                       
HETNAM     NAL BETA-(2-NAPHTHYL)-ALANINE                                        
HETNAM     LE1 3-SULFANYL-L-VALINE                                              
HETSYN     LE1 L-LE1ICILLAMINE; L-PENICILLAMINE                                 
FORMUL   1  ACE    C2 H4 O                                                      
FORMUL   1  DCY    C3 H7 N O2 S                                                 
FORMUL   1  NAL    C13 H13 N O2                                                 
FORMUL   1  LE1    C5 H11 N O2 S                                                
SSBOND   1 DCY A    4    LE1 A    8                          1555   1555  2.00  
LINK         C   ACE A   1                 N   ARG A   2     1555   1555  1.34  
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  
LINK         C   ARG A   5                 N   NAL A   6     1555   1555  1.35  
LINK         C   NAL A   6                 N   HIS A   7     1555   1555  1.35  
LINK         C   HIS A   7                 N   LE1 A   8     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       1.728  -2.005   6.857  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.691  -1.685   7.434  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.296  -3.402   7.026  1.00  0.00           C  
HETATM    4  H1  ACE A   1       2.019  -3.812   8.013  1.00  0.00           H  
HETATM    5  H2  ACE A   1       1.885  -4.078   6.258  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.399  -3.428   6.962  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.405  -1.194   6.041  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.981   0.218   5.768  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.957   0.399   4.595  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.061   1.240   4.698  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.241   1.150   5.752  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.846   1.682   4.422  1.00  0.00           C  
ATOM     13  CD  ARG A   2       3.052   2.844   3.778  1.00  0.00           C  
ATOM     14  NE  ARG A   2       3.966   3.840   3.153  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       3.595   5.030   2.678  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       4.522   5.863   2.302  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       2.344   5.409   2.571  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.289  -1.596   5.716  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.409   0.561   6.656  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.014   2.029   6.387  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.062   0.670   6.323  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       4.883   1.998   4.652  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.974   0.865   3.688  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       2.345   2.437   3.026  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       2.418   3.338   4.542  1.00  0.00           H  
ATOM     26  HE  ARG A   2       4.981   3.703   3.176  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       4.216   6.777   1.961  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       5.492   5.563   2.414  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       2.144   6.341   2.204  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       1.666   4.710   2.879  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.100  -0.348   3.484  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.128  -0.336   2.352  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.803  -1.590   2.191  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.596  -1.619   1.245  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.987  -0.112   1.092  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.868  -1.021   3.542  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.559   0.531   2.436  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.662  -0.964   0.881  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.358   0.029   0.194  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.617   0.794   1.167  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.718  -2.634   3.045  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.493  -3.899   2.865  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.179  -4.713   1.554  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.108  -5.138   0.864  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.373  -4.735   4.163  1.00  0.00           C  
HETATM   46  SG  DCY A   4       0.081  -5.803   4.127  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.173  -2.437   3.890  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.561  -3.611   2.788  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.373  -4.119   5.083  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.257  -5.394   4.254  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.113  -4.868   1.195  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.570  -5.414  -0.119  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.905  -6.231  -0.005  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.955  -7.374  -0.459  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.702  -4.250  -1.156  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.607  -3.815  -1.861  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.728  -2.288  -2.051  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.999  -1.909  -2.732  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.209  -1.872  -2.165  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.230  -1.578  -2.917  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.435  -2.115  -0.896  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.757  -4.484   1.892  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.177  -6.141  -0.498  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.197  -3.386  -0.667  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.414  -4.536  -1.954  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.684  -4.327  -2.841  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.487  -4.181  -1.302  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.621  -1.761  -1.082  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.130  -1.924  -2.653  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.006  -1.690  -3.732  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.146  -1.559  -2.465  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.042  -1.380  -3.900  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.395  -2.080  -0.555  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.594  -2.253  -0.317  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.441  -2.665   0.306  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.039  -3.726  -0.509  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.231  -3.479  -1.622  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.776  -2.196  -1.905  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.149  -1.127  -1.093  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.701   0.169  -1.353  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.101   1.225  -0.540  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.958   1.004   0.533  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.421  -0.278   0.814  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.018  -1.360   0.029  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.435  -5.188  -0.180  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.384  -6.193   0.435  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.836  -6.830   1.789  1.00  0.00           C  
HETATM   88  N   NAL A   6       2.994  -5.631   0.523  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.024  -8.044   1.870  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.082  -2.861   1.155  1.00  0.00           H  
HETATM   91  H3  NAL A   6       3.924  -4.298  -2.258  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.134  -2.048  -2.763  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.043   0.374  -2.189  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.753   2.226  -0.753  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.277   1.836   1.144  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.105  -0.414   1.641  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.352  -5.175   0.441  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.814  -5.640  -1.117  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.371  -7.052  -0.266  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.844  -4.644   0.742  1.00  0.00           H  
ATOM    101  N   HIS A   7       4.989  -6.014   2.849  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.303  -6.461   4.247  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.395  -7.603   4.825  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.915  -8.571   5.384  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.390  -5.264   5.269  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.397  -3.804   4.787  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.352  -3.238   4.080  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.412  -2.851   4.974  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.866  -1.998   3.845  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.084  -1.648   4.359  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.940  -5.017   2.616  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.320  -6.901   4.196  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.558  -5.327   5.996  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.279  -5.432   5.907  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.491  -3.680   3.744  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.332  -3.029   5.511  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.324  -1.306   3.219  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.276  -8.330   2.520  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.727  -9.090   3.379  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.127  -8.651   4.821  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.059  -7.491   4.673  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.870  -8.386   5.741  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.289  -9.722   6.256  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       1.105  -7.491   6.981  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.443  -7.628   4.749  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.917 -10.420   3.154  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.680  -9.501   5.271  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.805  -6.691   4.086  1.00  0.00           H  
HETATM  129  H9  LE1 A   8      -0.654  -9.576   6.816  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.056 -10.420   5.429  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       0.989 -10.247   6.933  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.403  -6.468   6.690  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       0.195  -7.386   7.601  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       1.907  -7.887   7.631  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.671 -10.599   2.244  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  C   ACE A   1       2.093  -1.933   7.232  1.00  0.00           C  
HETATM    2  O   ACE A   1       1.422  -1.443   8.137  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.616  -3.347   7.359  1.00  0.00           C  
HETATM    4  H1  ACE A   1       1.776  -4.041   7.219  1.00  0.00           H  
HETATM    5  H2  ACE A   1       3.406  -3.608   6.635  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.019  -3.521   8.371  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.388  -1.303   6.096  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.984   0.113   5.822  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.953   0.310   4.657  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.101   1.193   4.756  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.271   1.000   5.799  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.733   1.689   4.485  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.180   2.265   4.468  1.00  0.00           C  
ATOM     14  NE  ARG A   2       5.747   2.739   5.769  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       5.335   3.795   6.471  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       5.838   3.978   7.657  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       4.446   4.650   6.037  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.095  -1.804   5.549  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.408   0.482   6.697  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.114   1.806   6.541  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.132   0.449   6.230  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.637   0.983   3.638  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.012   2.493   4.240  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.851   1.463   4.094  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.272   3.050   3.688  1.00  0.00           H  
ATOM     26  HE  ARG A   2       6.457   2.179   6.252  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       5.494   4.776   8.193  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       6.515   3.285   7.986  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       4.175   5.430   6.640  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       4.096   4.438   5.100  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.032  -0.477   3.566  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.060  -0.416   2.434  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.878  -1.660   2.222  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.629  -1.676   1.243  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.933  -0.147   1.188  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.779  -1.173   3.609  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.623   0.451   2.547  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.574   0.748   1.310  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       1.600  -0.996   0.943  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       0.313   0.043   0.294  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.841  -2.713   3.068  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.510  -4.028   2.796  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.149  -4.698   1.422  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.061  -5.002   0.650  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.290  -4.944   4.035  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.087  -6.691   3.585  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.324  -2.525   3.932  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.600  -3.838   2.743  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.387  -4.654   4.598  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.127  -4.846   4.751  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.149  -4.881   1.112  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.628  -5.388  -0.211  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.950  -6.223  -0.087  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.985  -7.367  -0.544  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.775  -4.207  -1.228  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.513  -3.784  -1.983  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.723  -2.257  -2.054  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -2.019  -1.904  -2.706  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.224  -1.951  -2.126  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.266  -1.653  -2.846  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.425  -2.282  -0.875  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.774  -4.739   1.911  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.115  -6.105  -0.617  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.242  -3.342  -0.715  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.519  -4.476  -2.004  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.498  -4.209  -3.006  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.401  -4.254  -1.525  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.642  -1.798  -1.050  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.109  -1.801  -2.628  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.048  -1.625  -3.690  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.175  -1.697  -2.380  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.102  -1.386  -3.818  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.380  -2.301  -0.518  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.571  -2.419  -0.314  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.492  -2.713   0.295  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.109  -3.769  -0.536  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.312  -3.516  -1.656  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.844  -2.236  -1.926  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.194  -1.175  -1.095  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.729   0.119  -1.342  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.115   1.170  -0.516  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.971   0.947   0.559  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.445  -0.334   0.830  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.058  -1.411   0.030  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.490  -5.235  -0.206  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.418  -6.229   0.393  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.843  -6.891   1.745  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.037  -5.648   0.468  1.00  0.00           N  
HETATM   89  O   NAL A   6       4.947  -8.116   1.826  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.124  -2.914   1.151  1.00  0.00           H  
HETATM   91  H3  NAL A   6       4.016  -4.331  -2.302  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.206  -2.085  -2.787  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.074   0.325  -2.178  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.758   2.169  -0.720  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.281   1.777   1.176  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.130  -0.471   1.655  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.397  -5.230   0.430  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.879  -5.689  -1.138  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.401  -7.081  -0.317  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.894  -4.662   0.701  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.074  -6.086   2.799  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.417  -6.552   4.184  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.425  -7.608   4.793  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.822  -8.736   5.092  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.695  -5.353   5.173  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.612  -3.879   4.720  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.512  -3.312   4.096  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.608  -2.903   4.892  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.976  -2.041   3.900  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.213  -1.681   4.361  1.00  0.00           N  
ATOM    111  H   HIS A   7       5.066  -5.088   2.567  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.377  -7.097   4.086  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       5.034  -5.430   6.057  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.695  -5.521   5.615  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.665  -3.770   3.745  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.563  -3.076   5.369  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.384  -1.326   3.347  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.338  -7.576   2.669  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.572  -8.473   3.476  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.003  -8.235   4.951  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.133  -7.249   4.912  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.806  -7.855   5.932  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.717  -8.866   7.099  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.855  -6.462   6.595  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.853  -7.913   5.168  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.536  -9.794   3.141  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.412  -9.209   5.288  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.971  -6.292   4.593  1.00  0.00           H  
HETATM  129  H9  LE1 A   8       1.589  -8.799   7.779  1.00  0.00           H  
HETATM  130  H9A LE1 A   8      -0.188  -8.707   7.717  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       0.668  -9.912   6.740  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.692  -6.374   7.313  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.002  -5.677   5.839  1.00  0.00           H  
HETATM  134  H8B LE1 A   8      -0.077  -6.222   7.140  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.362  -9.855   2.199  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  C   ACE A   1       2.011  -1.915   7.160  1.00  0.00           C  
HETATM    2  O   ACE A   1       1.197  -1.493   7.979  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.570  -3.314   7.317  1.00  0.00           C  
HETATM    4  H1  ACE A   1       3.241  -3.371   8.191  1.00  0.00           H  
HETATM    5  H2  ACE A   1       1.735  -4.008   7.504  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.120  -3.687   6.437  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.441  -1.216   6.108  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.982   0.183   5.826  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.929   0.339   4.672  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.065   1.213   4.763  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.227   1.126   5.771  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.735   1.651   4.399  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.126   2.334   4.428  1.00  0.00           C  
ATOM     14  NE  ARG A   2       5.278   3.411   5.453  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       4.809   4.656   5.365  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       4.979   5.450   6.382  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       4.181   5.122   4.315  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.225  -1.666   5.626  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.416   0.542   6.712  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       2.984   2.019   6.381  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.075   0.677   6.325  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.773   0.821   3.670  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       2.982   2.348   3.981  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.889   1.554   4.627  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.397   2.704   3.419  1.00  0.00           H  
ATOM     26  HE  ARG A   2       5.742   3.211   6.344  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       4.605   6.399   6.303  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       5.464   5.068   7.195  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       3.850   6.089   4.330  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       4.081   4.444   3.558  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.008  -0.465   3.593  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.044  -0.415   2.452  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.874  -1.672   2.224  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.613  -1.696   1.235  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.925  -0.128   1.215  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.760  -1.155   3.648  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.653   0.439   2.562  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.638  -0.947   0.999  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.314   0.013   0.306  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.518   0.799   1.331  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.834  -2.723   3.071  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.495  -4.041   2.803  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.135  -4.716   1.432  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.048  -5.022   0.661  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.260  -4.940   4.049  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.135  -6.697   3.627  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.327  -2.526   3.941  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.587  -3.859   2.754  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.325  -4.676   4.569  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.066  -4.800   4.794  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.162  -4.901   1.119  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.638  -5.416  -0.202  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.963  -6.246  -0.080  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.001  -7.391  -0.532  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.777  -4.243  -1.230  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.513  -3.834  -1.990  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.735  -2.309  -2.067  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -2.037  -1.969  -2.714  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.238  -2.024  -2.127  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.286  -1.733  -2.840  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.428  -2.357  -0.874  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.789  -4.761   1.917  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.105  -6.138  -0.600  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.237  -3.371  -0.723  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.523  -4.512  -2.003  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.490  -4.262  -3.012  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.397  -4.311  -1.532  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.652  -1.843  -1.066  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.090  -1.850  -2.648  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.074  -1.691  -3.698  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.192  -1.782  -2.369  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.129  -1.464  -3.813  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.381  -2.385  -0.510  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.569  -2.496  -0.323  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.480  -2.710   0.278  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.104  -3.773  -0.549  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.305  -3.532  -1.669  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.824  -2.258  -1.944  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.165  -1.190  -1.118  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.688   0.100  -1.370  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.067   1.157  -0.550  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.928   0.946   0.523  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.413  -0.329   0.800  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.033  -1.412   0.006  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.499  -5.234  -0.210  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.434  -6.237   0.385  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.864  -6.905   1.733  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.050  -5.664   0.469  1.00  0.00           N  
HETATM   89  O   NAL A   6       4.962  -8.131   1.811  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.115  -2.901   1.133  1.00  0.00           H  
HETATM   91  H3  NAL A   6       4.015  -4.353  -2.312  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.184  -2.116  -2.804  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.030   0.296  -2.205  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.702   2.153  -0.760  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.236   1.784   1.132  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.098  -0.456   1.627  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.402  -5.217   0.431  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.900  -5.686  -1.138  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.419  -7.085  -0.331  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.903  -4.677   0.696  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.102  -6.102   2.787  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.415  -6.569   4.179  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.410  -7.623   4.770  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.801  -8.744   5.099  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.669  -5.369   5.173  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.580  -3.897   4.719  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.486  -3.343   4.075  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.570  -2.915   4.887  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.947  -2.077   3.860  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.177  -1.703   4.330  1.00  0.00           N  
ATOM    111  H   HIS A   7       5.088  -5.103   2.558  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.377  -7.116   4.101  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.995  -5.451   6.047  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.663  -5.529   5.631  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.640  -3.807   3.726  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.523  -3.079   5.371  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.361  -1.380   3.279  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.256  -7.599   2.658  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.518  -8.489   3.465  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       1.982  -8.239   4.926  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.117  -7.261   4.848  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.821  -7.838   5.941  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.754  -8.856   7.104  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.919  -6.448   6.613  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.863  -7.876   5.236  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.493  -9.811   3.134  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.394  -9.214   5.260  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.959  -6.314   4.498  1.00  0.00           H  
HETATM  129  H9  LE1 A   8      -0.047  -8.615   7.829  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.546  -9.878   6.740  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       1.702  -8.900   7.675  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       0.009  -6.194   7.187  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.778  -6.385   7.308  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       1.064  -5.653   5.865  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.305  -9.880   2.197  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  C   ACE A   1       1.748  -2.024   6.881  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.710  -1.708   7.457  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.322  -3.417   7.047  1.00  0.00           C  
HETATM    4  H1  ACE A   1       1.917  -4.095   6.276  1.00  0.00           H  
HETATM    5  H2  ACE A   1       3.425  -3.437   6.988  1.00  0.00           H  
HETATM    6  H3  ACE A   1       2.044  -3.832   8.033  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.422  -1.209   6.065  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.985   0.193   5.779  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.919   0.337   4.636  1.00  0.00           C  
ATOM     10  O   ARG A   2      -0.034   1.104   4.783  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.239   1.127   5.685  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.690   1.663   4.298  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.006   2.479   4.342  1.00  0.00           C  
ATOM     14  NE  ARG A   2       4.902   3.790   3.635  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       4.345   4.897   4.137  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       4.370   5.986   3.424  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       3.764   4.943   5.310  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.303  -1.613   5.729  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.444   0.552   6.680  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.030   2.007   6.322  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.107   0.656   6.192  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.810   0.831   3.583  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       2.863   2.260   3.861  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.382   2.617   5.377  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.811   1.878   3.870  1.00  0.00           H  
ATOM     26  HE  ARG A   2       5.316   3.925   2.707  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       3.936   6.816   3.832  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       4.828   5.937   2.512  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       3.349   5.822   5.628  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       3.768   4.045   5.797  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.097  -0.367   3.501  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.136  -0.347   2.361  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.808  -1.589   2.194  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.604  -1.603   1.248  1.00  0.00           O  
ATOM     35  CB  ALA A   3       1.017  -0.144   1.109  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.904  -0.993   3.528  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.534   0.534   2.434  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.666  -1.015   0.899  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.401   0.023   0.207  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.674   0.742   1.196  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.727  -2.641   3.037  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.506  -3.901   2.845  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.187  -4.706   1.529  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.114  -5.124   0.833  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.390  -4.747   4.138  1.00  0.00           C  
HETATM   46  SG  DCY A   4       0.064  -5.814   4.094  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.175  -2.455   3.881  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.573  -3.610   2.767  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.392  -4.138   5.062  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.274  -5.406   4.223  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.106  -4.861   1.176  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.568  -5.406  -0.139  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.899  -6.228  -0.021  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.944  -7.370  -0.481  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.707  -4.239  -1.171  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.599  -3.796  -1.880  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.724  -2.268  -2.048  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.998  -1.885  -2.724  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.208  -1.859  -2.157  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.231  -1.563  -2.904  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.431  -2.114  -0.890  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.749  -4.487   1.879  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.181  -6.128  -0.523  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.205  -3.379  -0.681  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.419  -4.527  -1.969  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.668  -4.296  -2.867  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.481  -4.174  -1.331  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.619  -1.753  -1.073  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.131  -1.894  -2.647  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.007  -1.654  -3.723  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.146  -1.551  -2.451  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.045  -1.353  -3.886  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.391  -2.086  -0.546  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.589  -2.250  -0.313  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.459  -2.698   0.287  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.052  -3.759  -0.525  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.247  -3.510  -1.641  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.801  -2.226  -1.927  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.178  -1.157  -1.118  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.738   0.141  -1.383  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.146   1.197  -0.575  1.00  0.00           C  
HETATM   82  C7  NAL A   6       5.002   0.974   0.499  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.457  -0.310   0.785  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.045  -1.392   0.005  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.434  -5.222  -0.190  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.374  -6.209   0.438  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.825  -6.833   1.798  1.00  0.00           C  
HETATM   88  N   NAL A   6       2.988  -5.639   0.517  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.012  -8.047   1.890  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.097  -2.896   1.139  1.00  0.00           H  
HETATM   91  H3  NAL A   6       3.936  -4.329  -2.274  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.161  -2.077  -2.786  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.082   0.346  -2.219  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.805   2.199  -0.792  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.327   1.806   1.106  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.140  -0.448   1.613  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.356  -5.216   0.425  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.803  -5.685  -1.126  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.356  -7.078  -0.252  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.842  -4.651   0.738  1.00  0.00           H  
ATOM    101  N   HIS A   7       4.979  -6.006   2.852  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.308  -6.443   4.250  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.405  -7.585   4.838  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.931  -8.569   5.363  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.400  -5.242   5.265  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.411  -3.785   4.778  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.366  -3.218   4.071  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.426  -2.832   4.964  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.882  -1.980   3.834  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.099  -1.628   4.350  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.931  -5.013   2.610  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.324  -6.881   4.193  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.571  -5.300   5.995  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.290  -5.409   5.902  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.505  -3.660   3.735  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.348  -3.010   5.501  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.344  -1.290   3.202  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.316  -8.270   2.526  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.769  -9.039   3.374  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.136  -8.622   4.834  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.067  -7.459   4.721  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.858  -8.376   5.730  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.290  -9.720   6.238  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       1.051  -7.471   6.971  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.452  -7.641   4.716  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.999 -10.358   3.122  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.682  -9.476   5.284  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.807  -6.635   4.169  1.00  0.00           H  
HETATM  129  H9  LE1 A   8       0.123 -10.440   5.415  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.969 -10.212   6.961  1.00  0.00           H  
HETATM  131  H9B LE1 A   8      -0.685  -9.592   6.745  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.852  -7.846   7.635  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.326  -6.442   6.681  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       0.128  -7.388   7.577  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.780 -10.518   2.202  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  C   ACE A   1       1.604  -2.178   6.404  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.380  -2.061   6.426  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.241  -3.514   6.718  1.00  0.00           C  
HETATM    4  H1  ACE A   1       1.628  -4.061   7.456  1.00  0.00           H  
HETATM    5  H2  ACE A   1       2.292  -4.133   5.806  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.260  -3.429   7.135  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.439  -1.193   6.062  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.976   0.209   5.797  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.947   0.423   4.625  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.112   1.325   4.703  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.218   1.163   5.776  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.773   1.645   4.403  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.140   2.356   4.473  1.00  0.00           C  
ATOM     14  NE  ARG A   2       6.232   1.349   4.586  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       7.500   1.597   4.899  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       8.317   0.585   4.947  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       7.969   2.790   5.161  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.426  -1.462   6.111  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.403   0.503   6.701  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       2.949   2.070   6.351  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.044   0.732   6.377  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.805   0.817   3.670  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.037   2.351   3.969  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.286   2.961   3.553  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.146   3.078   5.316  1.00  0.00           H  
ATOM     26  HE  ARG A   2       6.049   0.349   4.427  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       9.292   0.768   5.190  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       7.906  -0.329   4.720  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       8.957   2.881   5.405  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       7.275   3.537   5.102  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.029  -0.390   3.556  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.058  -0.377   2.428  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.813  -1.669   2.220  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.525  -1.736   1.212  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.929  -0.060   1.191  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.728  -1.127   3.674  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.669   0.451   2.541  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.731  -0.806   1.027  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.329  -0.027   0.264  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.418   0.930   1.275  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.777  -2.701   3.099  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.439  -4.027   2.854  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.120  -4.703   1.471  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.050  -5.007   0.721  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.193  -4.955   4.082  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -0.952  -6.683   3.579  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.340  -2.463   3.998  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.531  -3.837   2.826  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.303  -4.652   4.663  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.043  -4.899   4.788  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.170  -4.899   1.141  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.626  -5.408  -0.189  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.952  -6.239  -0.082  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.989  -7.381  -0.543  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.758  -4.223  -1.202  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.536  -3.832  -1.961  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.718  -2.310  -2.139  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -2.020  -1.992  -2.794  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.212  -1.967  -2.188  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.266  -1.733  -2.917  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.391  -2.168  -0.905  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.809  -4.730   1.922  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.123  -6.126  -0.582  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.196  -3.347  -0.683  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.513  -4.470  -1.974  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.550  -4.335  -2.949  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.423  -4.244  -1.449  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.616  -1.782  -1.170  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.111  -1.911  -2.756  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.065  -1.815  -3.801  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.167  -1.725  -2.436  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.116  -1.574  -3.915  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.341  -2.147  -0.534  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.532  -2.285  -0.347  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.477  -2.710   0.219  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.095  -3.785  -0.587  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.290  -3.560  -1.707  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.810  -2.287  -1.999  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.155  -1.208  -1.190  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.675   0.077  -1.454  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.052   1.144  -0.646  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.918   0.948   0.426  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.412  -0.321   0.711  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.030  -1.416  -0.067  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.487  -5.242  -0.224  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.422  -6.235   0.388  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.856  -6.880   1.746  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.039  -5.658   0.465  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.020  -8.098   1.830  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.116  -2.889   1.074  1.00  0.00           H  
HETATM   91  H3  NAL A   6       3.995  -4.389  -2.335  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.165  -2.159  -2.857  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.011   0.262  -2.287  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.680   2.136  -0.861  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.219   1.791   1.030  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.101  -0.437   1.535  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.390  -5.216   0.417  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.885  -5.709  -1.145  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.404  -7.095  -0.313  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.895  -4.671   0.688  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.025  -6.064   2.804  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.346  -6.508   4.202  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.387  -7.605   4.787  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.843  -8.688   5.156  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.510  -5.301   5.204  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.470  -3.848   4.705  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.387  -3.297   4.046  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.506  -2.907   4.782  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.885  -2.067   3.745  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.147  -1.718   4.156  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.956  -5.069   2.573  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.339  -6.997   4.139  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.748  -5.360   6.003  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.451  -5.457   5.765  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.499  -3.734   3.778  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.466  -3.094   5.242  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.298  -1.384   3.147  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.294  -7.852   2.589  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.607  -8.702   3.420  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.011  -8.389   4.889  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.067  -7.328   4.822  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.800  -8.102   5.886  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.656  -9.267   6.893  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.869  -6.815   6.737  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.838  -7.998   5.092  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.702 -10.026   3.113  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.503  -9.319   5.243  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.853  -6.409   4.428  1.00  0.00           H  
HETATM  129  H9  LE1 A   8      -0.245  -9.162   7.526  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.565 -10.244   6.382  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       1.525  -9.339   7.575  1.00  0.00           H  
HETATM  132  H8  LE1 A   8      -0.001  -6.707   7.412  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.781  -6.769   7.360  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       0.869  -5.926   6.088  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.551 -10.119   2.170  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  C   ACE A   1       1.630  -2.250   6.388  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.408  -2.134   6.420  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.278  -3.582   6.699  1.00  0.00           C  
HETATM    4  H1  ACE A   1       2.340  -4.198   5.785  1.00  0.00           H  
HETATM    5  H2  ACE A   1       3.294  -3.489   7.123  1.00  0.00           H  
HETATM    6  H3  ACE A   1       1.667  -4.133   7.435  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.464  -1.267   6.042  1.00  0.00           N  
ATOM      8  CA  ARG A   2       2.007   0.139   5.795  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.970   0.370   4.633  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.136   1.272   4.733  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.262   1.077   5.771  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.784   1.600   4.401  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.228   2.142   4.391  1.00  0.00           C  
ATOM     14  NE  ARG A   2       5.364   3.371   5.222  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       6.492   4.055   5.407  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       6.466   5.084   6.204  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       7.629   3.751   4.830  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.451  -1.542   6.064  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.445   0.428   6.706  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.025   1.962   6.391  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.104   0.612   6.326  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.728   0.789   3.654  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.087   2.367   4.007  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.923   1.348   4.735  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.514   2.362   3.341  1.00  0.00           H  
ATOM     26  HE  ARG A   2       4.557   3.736   5.737  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       7.342   5.592   6.338  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       5.573   5.301   6.651  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       8.447   4.331   5.023  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       7.583   2.935   4.217  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.040  -0.425   3.550  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.057  -0.390   2.431  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.850  -1.661   2.235  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.591  -1.705   1.248  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.920  -0.111   1.179  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.743  -1.164   3.644  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.642   0.461   2.549  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.608  -0.946   0.942  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.291   0.052   0.285  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.538   0.801   1.289  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.798  -2.703   3.099  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.452  -4.029   2.844  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.127  -4.688   1.454  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.053  -4.973   0.692  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.191  -4.960   4.067  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -0.940  -6.685   3.561  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.332  -2.482   3.988  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.545  -3.850   2.821  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.299  -4.655   4.645  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.037  -4.911   4.779  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.164  -4.888   1.129  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.625  -5.403  -0.198  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.946  -6.238  -0.085  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.981  -7.381  -0.546  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.768  -4.224  -1.216  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.519  -3.821  -1.980  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.715  -2.297  -2.109  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -2.010  -1.972  -2.774  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.212  -1.986  -2.188  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.257  -1.749  -2.926  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.406  -2.228  -0.914  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.800  -4.737   1.917  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.126  -6.118  -0.591  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.219  -3.351  -0.701  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.521  -4.483  -1.986  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.511  -4.289  -2.985  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.408  -4.263  -1.497  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.633  -1.799  -1.122  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.119  -1.868  -2.700  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.042  -1.764  -3.776  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.166  -1.773  -2.460  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.096  -1.561  -3.916  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.361  -2.234  -0.557  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.552  -2.343  -0.347  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.471  -2.727   0.203  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.093  -3.804  -0.602  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.295  -3.580  -1.728  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.817  -2.309  -2.024  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.159  -1.228  -1.218  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.682   0.057  -1.489  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.062   1.127  -0.688  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.925   0.935   0.388  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.412  -0.336   0.683  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.028  -1.434  -0.090  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.480  -5.259  -0.236  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.415  -6.240   0.395  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.850  -6.856   1.765  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.034  -5.659   0.464  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.021  -8.072   1.869  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.104  -2.905   1.064  1.00  0.00           H  
HETATM   91  H3  NAL A   6       4.003  -4.411  -2.355  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.176  -2.182  -2.887  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.021   0.240  -2.326  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.695   2.120  -0.909  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.230   1.782   0.983  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.098  -0.451   1.511  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.392  -5.236   0.393  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.863  -5.737  -1.158  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.396  -7.113  -0.289  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.890  -4.671   0.686  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.013  -6.023   2.810  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.335  -6.448   4.212  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.377  -7.538   4.814  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.843  -8.603   5.223  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.510  -5.230   5.199  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.496  -3.776   4.694  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.446  -3.224   3.984  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.494  -2.806   4.884  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.929  -1.969   3.771  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.143  -1.601   4.284  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.961  -5.030   2.561  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.326  -6.940   4.153  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.740  -5.272   5.993  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.444  -5.395   5.769  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.571  -3.659   3.676  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.417  -2.970   5.423  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.362  -1.277   3.166  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.321  -7.860   2.574  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.607  -8.699   3.426  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.013  -8.365   4.890  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.051  -7.284   4.817  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.795  -8.105   5.883  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.650  -9.291   6.864  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.853  -6.835   6.758  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.839  -7.995   5.079  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.647 -10.033   3.154  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.524  -9.284   5.245  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.831  -6.383   4.387  1.00  0.00           H  
HETATM  129  H9  LE1 A   8       0.545 -10.254   6.331  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       1.526  -9.387   7.535  1.00  0.00           H  
HETATM  131  H9B LE1 A   8      -0.243  -9.193   7.510  1.00  0.00           H  
HETATM  132  H8  LE1 A   8      -0.012  -6.753   7.443  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.770  -6.788   7.374  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       0.832  -5.935   6.125  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.480 -10.146   2.215  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  C   ACE A   1       2.112  -1.862   7.168  1.00  0.00           C  
HETATM    2  O   ACE A   1       1.338  -1.433   8.020  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.644  -3.274   7.298  1.00  0.00           C  
HETATM    4  H1  ACE A   1       3.222  -3.388   8.232  1.00  0.00           H  
HETATM    5  H2  ACE A   1       1.791  -3.967   7.361  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.281  -3.604   6.462  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.501  -1.161   6.098  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.987   0.219   5.807  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.934   0.339   4.649  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.085   1.231   4.712  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.174   1.230   5.739  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.847   1.502   4.368  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.170   2.299   4.436  1.00  0.00           C  
ATOM     14  NE  ARG A   2       4.972   3.779   4.389  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       4.848   4.591   5.441  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       4.746   5.870   5.224  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       4.822   4.173   6.681  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.251  -1.620   5.572  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.406   0.558   6.689  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       2.802   2.197   6.126  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       3.944   0.924   6.477  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       4.054   0.539   3.876  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.128   2.002   3.687  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.802   1.973   5.286  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.782   2.019   3.556  1.00  0.00           H  
ATOM     26  HE  ARG A   2       4.971   4.274   3.492  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       4.652   6.475   6.043  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       4.780   6.183   4.252  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       4.706   4.858   7.430  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       4.887   3.158   6.772  1.00  0.00           H  
ATOM     31  N   ALA A   3       0.990  -0.506   3.599  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.044  -0.453   2.442  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.866  -1.712   2.183  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.535  -1.756   1.146  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.944  -0.143   1.224  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.734  -1.203   3.668  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.662   0.395   2.549  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.652  -0.964   0.997  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.344   0.022   0.311  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.543   0.777   1.366  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.892  -2.735   3.068  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.547  -4.061   2.805  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.155  -4.776   1.463  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.044  -5.170   0.705  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.339  -4.949   4.066  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.196  -6.711   3.654  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.428  -2.516   3.955  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.637  -3.878   2.722  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.415  -4.676   4.602  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.160  -4.804   4.793  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.149  -4.906   1.161  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.648  -5.361  -0.171  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.964  -6.204  -0.069  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.988  -7.342  -0.541  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.803  -4.125  -1.117  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.494  -3.635  -1.804  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.351  -2.230  -2.422  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.535  -1.895  -3.263  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.667  -2.169  -4.564  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -2.763  -1.807  -5.165  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.754  -2.791  -5.268  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.767  -4.695   1.949  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.092  -6.051  -0.625  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.277  -3.293  -0.557  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.525  -4.364  -1.920  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.802  -4.379  -2.565  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.333  -3.606  -1.082  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.275  -1.492  -1.597  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.602  -2.116  -2.975  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.350  -1.432  -2.848  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -2.844  -2.033  -6.158  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -3.467  -1.329  -4.600  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -0.931  -2.973  -6.257  1.00  0.00           H  
ATOM     74 HH22 ARG A   5       0.063  -3.071  -4.724  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.511  -2.714   0.283  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.127  -3.775  -0.540  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.331  -3.528  -1.662  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.862  -2.250  -1.940  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.207  -1.184  -1.113  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.735   0.106  -1.361  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.115   1.161  -0.539  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.974   0.946   0.535  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.455  -0.332   0.808  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.072  -1.413   0.012  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.509  -5.238  -0.197  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.436  -6.236   0.392  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.862  -6.933   1.728  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.059  -5.647   0.490  1.00  0.00           N  
HETATM   89  O   NAL A   6       4.930  -8.161   1.791  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.145  -2.908   1.138  1.00  0.00           H  
HETATM   91  H3  NAL A   6       4.036  -4.347  -2.304  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.227  -2.103  -2.803  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.077   0.309  -2.196  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.752   2.159  -0.743  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.280   1.780   1.148  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.139  -0.463   1.637  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.407  -5.225   0.452  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.915  -5.693  -1.120  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.406  -7.073  -0.337  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.922  -4.667   0.749  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.130  -6.149   2.789  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.447  -6.630   4.175  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.432  -7.675   4.764  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.791  -8.827   5.015  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.727  -5.437   5.172  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.618  -3.962   4.731  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.524  -3.424   4.076  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.604  -2.971   4.887  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.984  -2.166   3.831  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.209  -1.774   4.300  1.00  0.00           N  
ATOM    111  H   HIS A   7       5.126  -5.147   2.573  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.400  -7.189   4.086  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       5.081  -5.527   6.066  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.736  -5.594   5.599  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.687  -3.898   3.721  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.559  -3.124   5.369  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.414  -1.505   3.195  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.265  -7.398   2.713  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.546  -8.349   3.437  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       1.987  -8.213   4.920  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.157  -7.274   4.916  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.825  -7.819   5.938  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.785  -8.826   7.111  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.902  -6.419   6.587  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.867  -7.896   5.251  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.578  -9.635   2.987  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.352  -9.223   5.201  1.00  0.00           H  
HETATM  128  H   LE1 A   8       3.027  -6.295   4.656  1.00  0.00           H  
HETATM  129  H9  LE1 A   8      -0.022  -8.597   7.832  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.600  -9.858   6.758  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       1.734  -8.843   7.680  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.755  -6.335   7.288  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.045  -5.636   5.826  1.00  0.00           H  
HETATM  134  H8B LE1 A   8      -0.015  -6.167   7.151  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.421  -9.624   2.041  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  C   ACE A   1       1.721  -2.015   6.855  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.683  -1.692   7.428  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.285  -3.413   7.025  1.00  0.00           C  
HETATM    4  H1  ACE A   1       2.008  -3.820   8.014  1.00  0.00           H  
HETATM    5  H2  ACE A   1       1.869  -4.091   6.260  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.387  -3.444   6.960  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.401  -1.205   6.041  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.984   0.209   5.768  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.961   0.394   4.593  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.070   1.239   4.696  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.246   1.137   5.754  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.855   1.667   4.425  1.00  0.00           C  
ATOM     13  CD  ARG A   2       3.067   2.832   3.780  1.00  0.00           C  
ATOM     14  NE  ARG A   2       3.985   3.826   3.156  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       3.619   5.016   2.681  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       4.549   5.846   2.307  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       2.370   5.400   2.570  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.285  -1.610   5.716  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.412   0.553   6.654  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.022   2.016   6.388  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.065   0.654   6.327  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       4.893   1.980   4.657  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.981   0.852   3.691  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       2.358   2.428   3.027  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       2.433   3.329   4.544  1.00  0.00           H  
ATOM     26  HE  ARG A   2       4.999   3.686   3.182  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       4.248   6.761   1.964  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       5.518   5.543   2.421  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       2.173   6.333   2.203  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       1.689   4.702   2.877  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.103  -0.353   3.482  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.132  -0.336   2.349  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.806  -1.586   2.188  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.595  -1.612   1.238  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.995  -0.118   1.090  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.866  -1.031   3.541  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.549   0.535   2.433  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.667  -0.974   0.881  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.368   0.025   0.190  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.629   0.785   1.166  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.731  -2.627   3.045  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.511  -3.889   2.863  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.190  -4.710   1.557  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.117  -5.135   0.864  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.400  -4.721   4.164  1.00  0.00           C  
HETATM   46  SG  DCY A   4       0.074  -5.760   4.154  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.188  -2.431   3.893  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.577  -3.597   2.778  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.427  -4.102   5.082  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.274  -5.394   4.241  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.103  -4.869   1.207  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.566  -5.429  -0.100  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.897  -6.247   0.034  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.939  -7.408  -0.375  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.705  -4.274  -1.146  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.599  -3.833  -1.859  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.712  -2.306  -2.047  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.978  -1.920  -2.735  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.191  -1.875  -2.174  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.206  -1.573  -2.929  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.423  -2.116  -0.907  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.745  -4.483   1.905  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.182  -6.158  -0.477  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.207  -3.410  -0.665  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.416  -4.573  -1.942  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.673  -4.344  -2.839  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.482  -4.196  -1.303  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.607  -1.779  -1.078  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.150  -1.945  -2.647  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -1.980  -1.700  -3.736  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.124  -1.547  -2.482  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.012  -1.375  -3.913  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.385  -2.075  -0.569  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.586  -2.258  -0.323  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.443  -2.676   0.308  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.041  -3.737  -0.507  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.232  -3.488  -1.621  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.780  -2.204  -1.902  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.155  -1.136  -1.091  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.710   0.163  -1.352  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.114   1.217  -0.540  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.969   0.993   0.535  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.429  -0.290   0.815  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.023  -1.371   0.031  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.433  -5.199  -0.178  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.381  -6.198   0.444  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.836  -6.833   1.797  1.00  0.00           C  
HETATM   88  N   NAL A   6       2.993  -5.633   0.533  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.011  -8.049   1.881  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.084  -2.874   1.158  1.00  0.00           H  
HETATM   91  H3  NAL A   6       3.923  -4.304  -2.256  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.138  -2.055  -2.760  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.054   0.368  -2.188  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.768   2.218  -0.751  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.289   1.824   1.146  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.113  -0.428   1.643  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.353  -5.189   0.438  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.805  -5.654  -1.117  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.363  -7.059  -0.256  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.847  -4.637   0.716  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.001  -6.013   2.854  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.314  -6.458   4.254  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.402  -7.598   4.829  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.919  -8.583   5.359  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.402  -5.264   5.276  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.403  -3.803   4.795  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.356  -3.242   4.088  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.417  -2.849   4.977  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.868  -2.003   3.848  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.086  -1.648   4.360  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.952  -5.017   2.619  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.329  -6.901   4.203  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.575  -5.328   6.009  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.294  -5.428   5.909  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.498  -3.688   3.749  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.339  -3.025   5.512  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.326  -1.315   3.218  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.146  -8.348   2.540  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.811  -9.033   3.317  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.134  -8.633   4.792  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.066  -7.468   4.694  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.853  -8.395   5.686  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.264  -9.747   6.150  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       1.058  -7.534   6.955  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.445  -7.613   4.696  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       2.393 -10.207   2.945  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.675  -9.490   5.242  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.809  -6.637   4.155  1.00  0.00           H  
HETATM  129  H9  LE1 A   8      -0.690  -9.617   6.693  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       0.051 -10.421   5.298  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       0.951 -10.289   6.828  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.358  -6.502   6.698  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       0.135  -7.449   7.558  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       1.847  -7.945   7.611  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       2.237 -10.324   2.006  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  C   ACE A   1       1.928  -1.892   7.133  1.00  0.00           C  
HETATM    2  O   ACE A   1       1.039  -1.477   7.872  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.466  -3.295   7.320  1.00  0.00           C  
HETATM    4  H1  ACE A   1       1.624  -4.000   7.262  1.00  0.00           H  
HETATM    5  H2  ACE A   1       3.216  -3.603   6.572  1.00  0.00           H  
HETATM    6  H3  ACE A   1       2.917  -3.410   8.320  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.454  -1.185   6.133  1.00  0.00           N  
ATOM      8  CA  ARG A   2       2.027   0.218   5.819  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.985   0.369   4.648  1.00  0.00           C  
ATOM     10  O   ARG A   2       0.206   1.323   4.661  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.306   1.120   5.744  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.816   1.610   4.359  1.00  0.00           C  
ATOM     13  CD  ARG A   2       3.205   2.963   3.917  1.00  0.00           C  
ATOM     14  NE  ARG A   2       2.661   2.901   2.533  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       2.166   3.939   1.856  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       1.634   3.719   0.689  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       2.186   5.171   2.301  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.278  -1.632   5.720  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.468   0.609   6.694  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       3.141   2.002   6.394  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.155   0.628   6.264  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       4.917   1.728   4.408  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.680   0.812   3.606  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       2.394   3.274   4.609  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       3.983   3.748   4.005  1.00  0.00           H  
ATOM     26  HE  ARG A   2       2.539   2.000   2.063  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       1.257   4.530   0.193  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       1.623   2.754   0.360  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       1.788   5.912   1.721  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       2.612   5.275   3.224  1.00  0.00           H  
ATOM     31  N   ALA A   3       0.993  -0.520   3.632  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.058  -0.460   2.464  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.904  -1.686   2.243  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.653  -1.683   1.262  1.00  0.00           O  
ATOM     35  CB  ALA A   3       0.935  -0.191   1.208  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.662  -1.282   3.767  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.627   0.404   2.574  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       0.955  -1.047   0.508  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       0.538   0.663   0.633  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       1.998   0.033   1.419  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.871  -2.750   3.074  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.535  -4.062   2.782  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.162  -4.718   1.404  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.066  -5.004   0.617  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.323  -4.984   4.018  1.00  0.00           C  
HETATM   46  SG  DCY A   4      -1.117  -6.726   3.566  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.360  -2.575   3.945  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.626  -3.873   2.722  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -0.424  -4.698   4.591  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.166  -4.888   4.728  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.140  -4.904   1.105  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.629  -5.412  -0.216  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.960  -6.230  -0.086  1.00  0.00           C  
ATOM     54  O   ARG A   5       2.014  -7.370  -0.551  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.769  -4.237  -1.241  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.515  -3.838  -2.016  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.753  -2.315  -2.088  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -2.049  -1.989  -2.751  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -3.254  -2.036  -2.171  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -4.296  -1.752  -2.897  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -3.452  -2.351  -0.914  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.754  -4.793   1.915  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.106  -6.138  -0.619  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.220  -3.363  -0.731  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.524  -4.502  -2.008  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.474  -4.260  -3.040  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.401  -4.327  -1.574  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.692  -1.854  -1.082  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.076  -1.843  -2.654  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.078  -1.732  -3.741  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -5.206  -1.797  -2.433  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -4.133  -1.500  -3.873  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -4.408  -2.377  -0.560  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -2.598  -2.506  -0.361  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.450  -2.663   0.317  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.078  -3.726  -0.510  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.288  -3.483  -1.637  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.821  -2.206  -1.922  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.167  -1.136  -1.100  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.726   0.160  -1.377  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.126   1.221  -0.571  1.00  0.00           C  
HETATM   82  C7  NAL A   6       4.959   1.005   0.520  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.406  -0.277   0.824  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.017  -1.363   0.037  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.483  -5.185  -0.178  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.427  -6.204   0.403  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.854  -6.881   1.748  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.036  -5.645   0.481  1.00  0.00           N  
HETATM   89  O   NAL A   6       4.952  -8.107   1.819  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.080  -2.855   1.176  1.00  0.00           H  
HETATM   91  H3  NAL A   6       4.003  -4.303  -2.282  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.195  -2.064  -2.792  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.093   0.360  -2.232  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.812   2.227  -0.817  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.285   1.842   1.122  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.077  -0.409   1.663  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.382  -5.165   0.468  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.894  -5.628  -1.105  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.424  -7.047  -0.319  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.878  -4.664   0.723  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.090  -6.084   2.807  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.406  -6.556   4.196  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.411  -7.622   4.782  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.809  -8.747   5.089  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.652  -5.358   5.196  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.536  -3.886   4.750  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.434  -3.350   4.103  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.517  -2.892   4.904  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.885  -2.084   3.868  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.111  -1.693   4.330  1.00  0.00           N  
ATOM    111  H   HIS A   7       5.077  -5.084   2.584  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.373  -7.094   4.117  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.990  -5.456   6.077  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.654  -5.505   5.643  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.597  -3.829   3.755  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.474  -3.041   5.383  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.296  -1.402   3.273  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.301  -7.608   2.643  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.558  -8.502   3.448  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       1.989  -8.257   4.921  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.116  -7.270   4.876  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.798  -7.875   5.907  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.718  -8.888   7.072  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       0.855  -6.482   6.573  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.866  -7.938   5.155  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       1.557  -9.822   3.107  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.401  -9.230   5.259  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.952  -6.312   4.556  1.00  0.00           H  
HETATM  129  H9  LE1 A   8       0.580  -9.923   6.708  1.00  0.00           H  
HETATM  130  H9A LE1 A   8       1.635  -8.883   7.693  1.00  0.00           H  
HETATM  131  H9B LE1 A   8      -0.132  -8.681   7.750  1.00  0.00           H  
HETATM  132  H8  LE1 A   8      -0.074  -6.240   7.124  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.696  -6.397   7.287  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       1.003  -5.693   5.819  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.389  -9.886   2.165  1.00  0.00           H  
TER     136      LE1 A   8                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  C   ACE A   1       1.792  -1.974   6.897  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.777  -1.659   7.513  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       2.372  -3.369   7.047  1.00  0.00           C  
HETATM    4  H1  ACE A   1       2.126  -3.782   8.042  1.00  0.00           H  
HETATM    5  H2  ACE A   1       1.941  -4.049   6.292  1.00  0.00           H  
HETATM    6  H3  ACE A   1       3.472  -3.389   6.952  1.00  0.00           H  
ATOM      7  N   ARG A   2       2.432  -1.160   6.053  1.00  0.00           N  
ATOM      8  CA  ARG A   2       1.969   0.238   5.770  1.00  0.00           C  
ATOM      9  C   ARG A   2       0.915   0.368   4.612  1.00  0.00           C  
ATOM     10  O   ARG A   2      -0.028   1.151   4.734  1.00  0.00           O  
ATOM     11  CB  ARG A   2       3.204   1.198   5.682  1.00  0.00           C  
ATOM     12  CG  ARG A   2       3.758   1.580   4.281  1.00  0.00           C  
ATOM     13  CD  ARG A   2       5.168   2.215   4.289  1.00  0.00           C  
ATOM     14  NE  ARG A   2       5.119   3.666   3.953  1.00  0.00           N  
ATOM     15  CZ  ARG A   2       6.174   4.420   3.636  1.00  0.00           C  
ATOM     16  NH1 ARG A   2       5.976   5.675   3.351  1.00  0.00           N  
ATOM     17  NH2 ARG A   2       7.404   3.967   3.598  1.00  0.00           N  
ATOM     18  H   ARG A   2       3.301  -1.561   5.687  1.00  0.00           H  
ATOM     19  HA  ARG A   2       1.417   0.588   6.666  1.00  0.00           H  
ATOM     20  HB2 ARG A   2       2.940   2.141   6.198  1.00  0.00           H  
ATOM     21  HB3 ARG A   2       4.025   0.792   6.308  1.00  0.00           H  
ATOM     22  HG2 ARG A   2       3.794   0.679   3.648  1.00  0.00           H  
ATOM     23  HG3 ARG A   2       3.018   2.217   3.754  1.00  0.00           H  
ATOM     24  HD2 ARG A   2       5.669   2.063   5.268  1.00  0.00           H  
ATOM     25  HD3 ARG A   2       5.797   1.665   3.560  1.00  0.00           H  
ATOM     26  HE  ARG A   2       4.229   4.172   3.957  1.00  0.00           H  
ATOM     27 HH11 ARG A   2       6.797   6.233   3.115  1.00  0.00           H  
ATOM     28 HH12 ARG A   2       5.013   6.014   3.387  1.00  0.00           H  
ATOM     29 HH21 ARG A   2       8.157   4.613   3.351  1.00  0.00           H  
ATOM     30 HH22 ARG A   2       7.498   2.982   3.850  1.00  0.00           H  
ATOM     31  N   ALA A   3       1.087  -0.367   3.495  1.00  0.00           N  
ATOM     32  CA  ALA A   3       0.140  -0.357   2.343  1.00  0.00           C  
ATOM     33  C   ALA A   3      -0.785  -1.613   2.156  1.00  0.00           C  
ATOM     34  O   ALA A   3      -1.535  -1.655   1.175  1.00  0.00           O  
ATOM     35  CB  ALA A   3       1.038  -0.133   1.107  1.00  0.00           C  
ATOM     36  H   ALA A   3       1.881  -1.009   3.547  1.00  0.00           H  
ATOM     37  HA  ALA A   3      -0.547   0.511   2.410  1.00  0.00           H  
ATOM     38  HB1 ALA A   3       1.674   0.768   1.205  1.00  0.00           H  
ATOM     39  HB2 ALA A   3       1.709  -0.990   0.907  1.00  0.00           H  
ATOM     40  HB3 ALA A   3       0.432   0.022   0.196  1.00  0.00           H  
HETATM   41  N   DCY A   4      -0.736  -2.639   3.036  1.00  0.00           N  
HETATM   42  CA  DCY A   4      -1.519  -3.902   2.869  1.00  0.00           C  
HETATM   43  C   DCY A   4      -1.179  -4.771   1.601  1.00  0.00           C  
HETATM   44  O   DCY A   4      -2.089  -5.265   0.934  1.00  0.00           O  
HETATM   45  CB  DCY A   4      -1.425  -4.696   4.195  1.00  0.00           C  
HETATM   46  SG  DCY A   4       0.072  -5.701   4.251  1.00  0.00           S  
HETATM   47  H   DCY A   4      -0.218  -2.422   3.894  1.00  0.00           H  
HETATM   48  HA  DCY A   4      -2.582  -3.609   2.754  1.00  0.00           H  
HETATM   49  HB2 DCY A   4      -1.488  -4.052   5.094  1.00  0.00           H  
HETATM   50  HB3 DCY A   4      -2.288  -5.385   4.270  1.00  0.00           H  
ATOM     51  N   ARG A   5       0.116  -4.898   1.248  1.00  0.00           N  
ATOM     52  CA  ARG A   5       0.575  -5.396  -0.084  1.00  0.00           C  
ATOM     53  C   ARG A   5       1.905  -6.225  -0.003  1.00  0.00           C  
ATOM     54  O   ARG A   5       1.943  -7.356  -0.490  1.00  0.00           O  
ATOM     55  CB  ARG A   5       0.716  -4.183  -1.060  1.00  0.00           C  
ATOM     56  CG  ARG A   5      -0.596  -3.649  -1.684  1.00  0.00           C  
ATOM     57  CD  ARG A   5      -0.436  -2.227  -2.254  1.00  0.00           C  
ATOM     58  NE  ARG A   5      -1.655  -1.809  -3.003  1.00  0.00           N  
ATOM     59  CZ  ARG A   5      -1.855  -1.968  -4.314  1.00  0.00           C  
ATOM     60  NH1 ARG A   5      -2.967  -1.529  -4.827  1.00  0.00           N  
ATOM     61  NH2 ARG A   5      -0.993  -2.549  -5.113  1.00  0.00           N  
ATOM     62  H   ARG A   5       0.737  -4.421   1.906  1.00  0.00           H  
ATOM     63  HA  ARG A   5      -0.178  -6.097  -0.502  1.00  0.00           H  
ATOM     64  HB2 ARG A   5       1.254  -3.364  -0.540  1.00  0.00           H  
ATOM     65  HB3 ARG A   5       1.386  -4.458  -1.898  1.00  0.00           H  
ATOM     66  HG2 ARG A   5      -0.943  -4.356  -2.462  1.00  0.00           H  
ATOM     67  HG3 ARG A   5      -1.409  -3.633  -0.932  1.00  0.00           H  
ATOM     68  HD2 ARG A   5      -0.285  -1.527  -1.408  1.00  0.00           H  
ATOM     69  HD3 ARG A   5       0.488  -2.122  -2.857  1.00  0.00           H  
ATOM     70  HE  ARG A   5      -2.436  -1.364  -2.510  1.00  0.00           H  
ATOM     71 HH11 ARG A   5      -3.101  -1.664  -5.831  1.00  0.00           H  
ATOM     72 HH12 ARG A   5      -3.627  -1.083  -4.189  1.00  0.00           H  
ATOM     73 HH21 ARG A   5      -1.223  -2.639  -6.104  1.00  0.00           H  
ATOM     74 HH22 ARG A   5      -0.159  -2.896  -4.637  1.00  0.00           H  
HETATM   75  C1  NAL A   6       5.485  -2.707   0.292  1.00  0.00           C  
HETATM   76  C2  NAL A   6       5.060  -3.763  -0.518  1.00  0.00           C  
HETATM   77  C3  NAL A   6       4.246  -3.504  -1.624  1.00  0.00           C  
HETATM   78  C4  NAL A   6       3.810  -2.216  -1.905  1.00  0.00           C  
HETATM   79  C4A NAL A   6       4.204  -1.152  -1.098  1.00  0.00           C  
HETATM   80  C5  NAL A   6       3.773   0.151  -1.357  1.00  0.00           C  
HETATM   81  C6  NAL A   6       4.201   1.202  -0.552  1.00  0.00           C  
HETATM   82  C7  NAL A   6       5.065   0.971   0.513  1.00  0.00           C  
HETATM   83  C8  NAL A   6       5.511  -0.318   0.793  1.00  0.00           C  
HETATM   84  C8A NAL A   6       5.080  -1.396   0.016  1.00  0.00           C  
HETATM   85  C9  NAL A   6       5.441  -5.229  -0.197  1.00  0.00           C  
HETATM   86  CA  NAL A   6       4.385  -6.219   0.434  1.00  0.00           C  
HETATM   87  C   NAL A   6       4.844  -6.849   1.787  1.00  0.00           C  
HETATM   88  N   NAL A   6       3.000  -5.646   0.534  1.00  0.00           N  
HETATM   89  O   NAL A   6       5.024  -8.065   1.872  1.00  0.00           O  
HETATM   90  H1  NAL A   6       6.131  -2.912   1.136  1.00  0.00           H  
HETATM   91  H3  NAL A   6       3.922  -4.318  -2.257  1.00  0.00           H  
HETATM   92  H4  NAL A   6       3.165  -2.058  -2.759  1.00  0.00           H  
HETATM   93  H5  NAL A   6       3.111   0.365  -2.185  1.00  0.00           H  
HETATM   94  H6  NAL A   6       3.865   2.208  -0.763  1.00  0.00           H  
HETATM   95  H7  NAL A   6       5.403   1.802   1.114  1.00  0.00           H  
HETATM   96  H8  NAL A   6       6.200  -0.464   1.614  1.00  0.00           H  
HETATM   97  H91 NAL A   6       6.367  -5.230   0.411  1.00  0.00           H  
HETATM   98  H92 NAL A   6       5.799  -5.686  -1.139  1.00  0.00           H  
HETATM   99  HA  NAL A   6       4.358  -7.084  -0.261  1.00  0.00           H  
HETATM  100  H   NAL A   6       2.854  -4.669   0.794  1.00  0.00           H  
ATOM    101  N   HIS A   7       5.009  -6.028   2.843  1.00  0.00           N  
ATOM    102  CA  HIS A   7       5.323  -6.474   4.242  1.00  0.00           C  
ATOM    103  C   HIS A   7       4.406  -7.609   4.818  1.00  0.00           C  
ATOM    104  O   HIS A   7       4.918  -8.596   5.351  1.00  0.00           O  
ATOM    105  CB  HIS A   7       5.417  -5.279   5.264  1.00  0.00           C  
ATOM    106  CG  HIS A   7       5.447  -3.820   4.781  1.00  0.00           C  
ATOM    107  ND1 HIS A   7       4.407  -3.241   4.082  1.00  0.00           N  
ATOM    108  CD2 HIS A   7       6.479  -2.883   4.958  1.00  0.00           C  
ATOM    109  CE1 HIS A   7       4.940  -2.013   3.837  1.00  0.00           C  
ATOM    110  NE2 HIS A   7       6.168  -1.677   4.340  1.00  0.00           N  
ATOM    111  H   HIS A   7       4.958  -5.033   2.607  1.00  0.00           H  
ATOM    112  HA  HIS A   7       6.337  -6.921   4.191  1.00  0.00           H  
ATOM    113  HB2 HIS A   7       4.578  -5.330   5.984  1.00  0.00           H  
ATOM    114  HB3 HIS A   7       6.298  -5.457   5.910  1.00  0.00           H  
ATOM    115  HD1 HIS A   7       3.537  -3.671   3.750  1.00  0.00           H  
ATOM    116  HD2 HIS A   7       7.401  -3.076   5.488  1.00  0.00           H  
ATOM    117  HE1 HIS A   7       4.417  -1.331   3.186  1.00  0.00           H  
HETATM  118  O   LE1 A   8       1.216  -8.248   2.528  1.00  0.00           O  
HETATM  119  C   LE1 A   8       1.743  -9.015   3.335  1.00  0.00           C  
HETATM  120  CA  LE1 A   8       2.127  -8.625   4.796  1.00  0.00           C  
HETATM  121  N   LE1 A   8       3.070  -7.471   4.685  1.00  0.00           N  
HETATM  122  CB  LE1 A   8       0.869  -8.374   5.717  1.00  0.00           C  
HETATM  123  C9  LE1 A   8       0.269  -9.721   6.185  1.00  0.00           C  
HETATM  124  C8  LE1 A   8       1.110  -7.524   6.988  1.00  0.00           C  
HETATM  125  SG  LE1 A   8      -0.435  -7.569   4.752  1.00  0.00           S  
HETATM  126  OXT LE1 A   8       2.066 -10.300   3.022  1.00  0.00           O  
HETATM  127  HA  LE1 A   8       2.668  -9.493   5.227  1.00  0.00           H  
HETATM  128  H   LE1 A   8       2.820  -6.647   4.133  1.00  0.00           H  
HETATM  129  H9  LE1 A   8       0.971 -10.289   6.826  1.00  0.00           H  
HETATM  130  H9A LE1 A   8      -0.660  -9.581   6.768  1.00  0.00           H  
HETATM  131  H9B LE1 A   8       0.009 -10.377   5.334  1.00  0.00           H  
HETATM  132  H8  LE1 A   8       1.896  -7.960   7.633  1.00  0.00           H  
HETATM  133  H8A LE1 A   8       1.434  -6.499   6.734  1.00  0.00           H  
HETATM  134  H8B LE1 A   8       0.196  -7.419   7.602  1.00  0.00           H  
HETATM  135  HXT LE1 A   8       1.850 -10.437   2.098  1.00  0.00           H  
TER     136      LE1 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  125                                                           
CONECT   47   41                                                                
CONECT   48   42                                                                
CONECT   49   45                                                                
CONECT   50   45                                                                
CONECT   51   43                                                                
CONECT   53   88                                                                
CONECT   75   76   84   90                                                      
CONECT   76   75   77   85                                                      
CONECT   77   76   78   91                                                      
CONECT   78   77   79   92                                                      
CONECT   79   78   80   84                                                      
CONECT   80   79   81   93                                                      
CONECT   81   80   82   94                                                      
CONECT   82   81   83   95                                                      
CONECT   83   82   84   96                                                      
CONECT   84   75   79   83                                                      
CONECT   85   76   86   97   98                                                 
CONECT   86   85   87   88   99                                                 
CONECT   87   86   89  101                                                      
CONECT   88   53   86  100                                                      
CONECT   89   87                                                                
CONECT   90   75                                                                
CONECT   91   77                                                                
CONECT   92   78                                                                
CONECT   93   80                                                                
CONECT   94   81                                                                
CONECT   95   82                                                                
CONECT   96   83                                                                
CONECT   97   85                                                                
CONECT   98   85                                                                
CONECT   99   86                                                                
CONECT  100   88                                                                
CONECT  101   87                                                                
CONECT  103  121                                                                
CONECT  118  119                                                                
CONECT  119  118  120  126                                                      
CONECT  120  119  121  122  127                                                 
CONECT  121  103  120  128                                                      
CONECT  122  120  123  124  125                                                 
CONECT  123  122  129  130  131                                                 
CONECT  124  122  132  133  134                                                 
CONECT  125   46  122                                                           
CONECT  126  119  135                                                           
CONECT  127  120                                                                
CONECT  128  121                                                                
CONECT  129  123                                                                
CONECT  130  123                                                                
CONECT  131  123                                                                
CONECT  132  124                                                                
CONECT  133  124                                                                
CONECT  134  124                                                                
CONECT  135  126                                                                
MASTER      162    0    4    0    0    0    0    6   70    1   66    1          
END