HEADER    PEPTIDE BINDING PROTEIN                 27-JUL-17   5OLF              
TITLE     LIGAND-BASED NMR STUDY OF C-X-C CHEMOKINE RECEPTOR TYPE 4 (CXCR4)-    
TITLE    2 LIGAND INTERACTIONS IN LIVING CANCER CELLS                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GBA-ALA-CYS-ARG-PHE-PHE-CYS;                               
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_TAXID: 9606                                                 
KEYWDS    CXCR4, PEPTIDE BINDING PROTEIN, IN-CELL NMR                           
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    D.BRANCACCIO,A.CAROTENUTO                                             
REVDAT   3   14-JUN-23 5OLF    1       REMARK                                   
REVDAT   2   15-MAY-19 5OLF    1       ATOM                                     
REVDAT   1   06-JUN-18 5OLF    0                                                
JRNL        AUTH   D.BRANCACCIO,D.DIANA,S.DI MARO,F.S.DI LEVA,S.TOMASSI,        
JRNL        AUTH 2 R.FATTORUSSO,L.RUSSO,S.SCALA,A.M.TROTTA,L.PORTELLA,          
JRNL        AUTH 3 E.NOVELLINO,L.MARINELLI,A.CAROTENUTO                         
JRNL        TITL   LIGAND-BASED NMR STUDY OF C-X-C CHEMOKINE RECEPTOR TYPE 4    
JRNL        TITL 2 (CXCR4)-LIGAND INTERACTIONS ON LIVING CANCER CELLS.          
JRNL        REF    J. MED. CHEM.                 V.  61  2910 2018              
JRNL        REFN                   ISSN 1520-4804                               
JRNL        PMID   29522685                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.7B01830                                 
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 5OLF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-JUL-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200005994.                                   
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                : 2.0 MM NA PEPTIDE, 10 % [U-99%     
REMARK 210                                   2H] D2O, 90% H2O/10% D2O           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D 1H-1H TOCSY;    
REMARK 210                                   2D DQF-COSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR, XEASY                        
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: 0 ANGSTROM**2                             
REMARK 350 SURFACE AREA OF THE COMPLEX: 1100 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  1 CYS A   7   C     CYS A   7   O       0.135                       
REMARK 500  1 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  2 CYS A   7   C     CYS A   7   O       0.135                       
REMARK 500  2 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  3 CYS A   7   C     CYS A   7   O       0.135                       
REMARK 500  3 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  4 CYS A   7   C     CYS A   7   O       0.134                       
REMARK 500  4 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  5 CYS A   7   C     CYS A   7   O       0.135                       
REMARK 500  5 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  6 CYS A   7   C     CYS A   7   O       0.134                       
REMARK 500  6 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  7 CYS A   7   C     CYS A   7   O       0.134                       
REMARK 500  7 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  8 CYS A   7   C     CYS A   7   O       0.134                       
REMARK 500  8 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500  9 CYS A   7   C     CYS A   7   O       0.134                       
REMARK 500  9 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500 10 CYS A   7   C     CYS A   7   O       0.135                       
REMARK 500 10 CYS A   7   C     CYS A   7   OXT     0.126                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  1 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  2 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  3 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  4 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  5 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  6 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  7 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  8 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  9 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.5 DEGREES          
REMARK 500 10 ARG A   4   NE  -  CZ  -  NH2 ANGL. DEV. =   3.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 ALA A   2      119.98     59.08                                   
REMARK 500  1 CYS A   3      -58.97   -121.29                                   
REMARK 500  1 PHE A   5      -70.65   -140.95                                   
REMARK 500  2 CYS A   3      -60.50   -127.31                                   
REMARK 500  2 PHE A   5      -70.18   -140.61                                   
REMARK 500  3 CYS A   3      -59.04   -128.06                                   
REMARK 500  3 PHE A   5      -70.51   -138.93                                   
REMARK 500  4 CYS A   3      -60.03   -106.47                                   
REMARK 500  4 PHE A   5      -70.32   -142.02                                   
REMARK 500  5 ALA A   2      108.91    -44.95                                   
REMARK 500  5 PHE A   5      -70.58   -142.30                                   
REMARK 500  6 CYS A   3      -60.33   -105.24                                   
REMARK 500  6 PHE A   5      -70.48   -138.31                                   
REMARK 500  7 ALA A   2       70.07     41.27                                   
REMARK 500  7 PHE A   5      -64.68   -135.48                                   
REMARK 500  7 PHE A   6      -52.93   -126.97                                   
REMARK 500  8 ALA A   2       70.58     53.43                                   
REMARK 500  8 PHE A   5      -65.64   -134.81                                   
REMARK 500  8 PHE A   6      -68.18   -122.46                                   
REMARK 500  9 ALA A   2       70.22     40.62                                   
REMARK 500  9 PHE A   5      -64.86   -135.49                                   
REMARK 500  9 PHE A   6      -52.94   -126.86                                   
REMARK 500 10 ALA A   2       87.28    176.59                                   
REMARK 500 10 PHE A   5      -64.30   -136.74                                   
REMARK 500 10 PHE A   6      -52.87   -127.08                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 34166   RELATED DB: BMRB                                 
REMARK 900 LIGAND-BASED NMR STUDY OF C-X-C CHEMOKINE RECEPTOR TYPE 4 (CXCR4)-   
REMARK 900 LIGAND INTERACTIONS IN LIVING CANCER CELLS                           
DBREF  5OLF A    1     7  PDB    5OLF     5OLF             1      7             
SEQRES   1 A    7  9XQ ALA CYS ARG PHE PHE CYS                                  
HET    9XQ  A   1      21                                                       
HETNAM     9XQ [AZANYL-[(3-CARBOXYPHENYL)AMINO]METHYLIDENE]AZANIUM              
FORMUL   1  9XQ    C8 H10 N3 O2 1+                                              
SSBOND   1 CYS A    3    CYS A    7                          1555   1555  2.00  
LINK         C   9XQ A   1                 N   ALA A   2     1555   1555  1.36  
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  CG  9XQ A   1       3.196  -7.468  -2.307  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       4.432  -7.445  -1.634  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       4.805  -8.483  -0.771  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       3.905  -9.535  -0.550  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       2.672  -9.559  -1.185  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       2.327  -8.540  -2.062  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       6.395 -10.131   1.398  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       8.122  -8.845   0.874  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.750  -6.414  -3.302  1.00  0.00           C  
HETATM   10  O   9XQ A   1       1.885  -6.691  -4.135  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       6.151  -8.444  -0.203  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       6.866  -9.147   0.681  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       5.109  -6.628  -1.838  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       4.137 -10.382   0.077  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       1.980 -10.375  -1.018  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       1.360  -8.583  -2.549  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       5.405 -10.373   1.277  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       7.047 -10.591   2.042  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       8.585  -8.105   0.338  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       6.725  -7.693  -0.576  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       8.595  -9.439   1.566  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.287  -5.167  -3.256  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.762  -4.012  -4.050  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.254  -3.632  -3.776  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.331  -4.427  -3.954  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.099  -4.178  -5.547  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.971  -5.020  -2.512  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.379  -3.150  -3.726  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.870  -3.264  -6.125  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       4.167  -4.410  -5.714  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       2.513  -5.000  -6.000  1.00  0.00           H  
ATOM     32  N   CYS A   3       1.002  -2.397  -3.323  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.376  -1.890  -3.036  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.687  -0.621  -3.895  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.626  -0.606  -4.690  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.552  -1.672  -1.507  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.091  -3.069  -0.555  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.821  -1.787  -3.364  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.137  -2.641  -3.334  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.026  -0.764  -1.160  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.618  -1.521  -1.255  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.125   0.440  -3.743  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.085   1.644  -4.621  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.403   1.959  -5.402  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.319   2.394  -6.553  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.411   2.833  -3.747  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.962   2.956  -3.703  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.532   4.227  -4.359  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.152   4.296  -5.802  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.359   5.328  -6.605  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.861   5.279  -7.799  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -3.038   6.385  -6.258  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.790   0.319  -2.977  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.644   1.484  -5.442  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.003   2.771  -2.718  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.028   3.780  -4.120  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.452   2.058  -4.141  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.293   2.919  -2.645  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -3.637   4.227  -4.241  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -2.162   5.113  -3.799  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.594   3.548  -6.227  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -2.034   6.078  -8.414  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.319   4.444  -8.035  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -3.170   7.132  -6.942  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.417   6.338  -5.311  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.585   1.802  -4.782  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.906   2.104  -5.418  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.933   1.002  -4.973  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.307   0.122  -5.746  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.379   3.568  -5.102  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.388   4.717  -5.360  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.706   5.307  -4.290  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       3.121   5.146  -6.664  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       1.767   6.310  -4.520  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       2.182   6.150  -6.893  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.506   6.731  -5.822  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.514   1.334  -3.877  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.825   2.008  -6.521  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.720   3.635  -4.051  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.304   3.768  -5.676  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       2.896   4.986  -3.275  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.631   4.690  -7.500  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.256   6.772  -3.688  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.992   6.483  -7.903  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.797   7.527  -5.999  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.325   1.039  -3.692  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.263   0.075  -3.037  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.603  -0.786  -1.897  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.969  -1.953  -1.731  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.568   0.817  -2.576  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.496   2.299  -2.127  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.797   3.307  -3.052  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.056   2.652  -0.848  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.655   4.648  -2.704  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       6.918   3.997  -0.500  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.215   4.992  -1.429  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.140   1.948  -3.259  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.590  -0.683  -3.779  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.071   0.231  -1.782  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.292   0.747  -3.412  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       8.128   3.056  -4.050  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       6.818   1.888  -0.120  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.893   5.421  -3.423  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.587   4.271   0.491  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.118   6.034  -1.159  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.641  -0.240  -1.117  1.00  0.00           N  
ATOM    107  CA  CYS A   7       3.952  -0.942   0.007  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.895  -1.484   1.128  1.00  0.00           C  
ATOM    109  O   CYS A   7       4.616  -2.757   1.530  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.910  -1.902  -0.610  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.617  -2.382   0.548  1.00  0.00           S  
ATOM    112  OXT CYS A   7       5.905  -0.751   1.656  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.372   0.696  -1.430  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.362  -0.166   0.530  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.384  -1.378  -1.423  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.375  -2.798  -1.060  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  CG  9XQ A   1       4.442  -6.855  -2.234  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       5.780  -7.210  -1.989  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       6.116  -8.245  -1.115  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       5.086  -8.970  -0.499  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       3.756  -8.659  -0.748  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       3.436  -7.616  -1.602  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       7.814 -10.205   0.693  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       9.584  -9.148  -0.115  1.00  0.00           N  
HETATM    9  C   9XQ A   1       4.175  -5.664  -3.145  1.00  0.00           C  
HETATM   10  O   9XQ A   1       5.094  -5.083  -3.731  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       7.535  -8.482  -0.865  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       8.286  -9.280  -0.099  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       6.558  -6.636  -2.480  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       5.271  -9.783   0.185  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       2.964  -9.224  -0.271  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       2.392  -7.398  -1.773  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       6.798 -10.334   0.720  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       8.500 -10.748   1.230  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1      10.082  -9.794   0.509  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       8.136  -7.855  -1.395  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1      10.045  -8.442  -0.699  1.00  0.00           H  
ATOM     22  N   ALA A   2       2.905  -5.239  -3.293  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.501  -4.045  -4.077  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.050  -3.630  -3.660  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.128  -4.449  -3.634  1.00  0.00           O  
ATOM     26  CB  ALA A   2       2.584  -4.342  -5.589  1.00  0.00           C  
ATOM     27  H   ALA A   2       2.209  -5.740  -2.732  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.207  -3.217  -3.851  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.269  -3.473  -6.195  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       3.617  -4.589  -5.899  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       1.942  -5.196  -5.877  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.855  -2.349  -3.323  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.487  -1.770  -3.001  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.745  -0.494  -3.870  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.684  -0.449  -4.664  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.614  -1.519  -1.474  1.00  0.00           C  
ATOM     37  SG  CYS A   3      -0.057  -2.945  -0.513  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.702  -1.783  -3.406  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.289  -2.486  -3.276  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.014  -0.649  -1.151  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.660  -1.283  -1.200  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.110   0.536  -3.731  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.117   1.734  -4.621  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.440   1.987  -5.416  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.365   2.427  -6.565  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.315   2.957  -3.759  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.857   3.166  -3.713  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.359   4.467  -4.368  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -1.977   4.520  -5.811  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.183   5.542  -6.627  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.688   5.477  -7.822  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.858   6.606  -6.293  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.773   0.394  -2.966  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.626   1.599  -5.434  1.00  0.00           H  
ATOM     55  HB2 ARG A   4       0.091   2.884  -2.729  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.175   3.877  -4.140  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.395   2.297  -4.150  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.187   3.148  -2.656  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -3.462   4.524  -4.248  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -1.942   5.333  -3.809  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.419   3.766  -6.228  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.861   6.268  -8.445  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.150   4.637  -8.048  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -2.991   7.344  -6.985  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.234   6.573  -5.343  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.620   1.781  -4.805  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.947   2.016  -5.455  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.924   0.868  -5.017  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.255  -0.023  -5.797  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.499   3.453  -5.145  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.572   4.650  -5.418  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.919   5.286  -4.354  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       3.332   5.080  -6.725  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       2.037   6.335  -4.598  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       2.448   6.129  -6.968  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.802   6.756  -5.905  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.536   1.299  -3.908  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.851   1.923  -6.557  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.840   3.509  -4.093  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.436   3.599  -5.718  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       3.092   4.965  -3.336  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.820   4.588  -7.556  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.549   6.831  -3.771  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       2.279   6.461  -7.982  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       1.137   7.586  -6.091  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.322   0.886  -3.738  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.211  -0.125  -3.090  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.501  -0.957  -1.962  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.766  -2.155  -1.843  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.550   0.545  -2.613  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.567   2.035  -2.189  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.152   2.437  -0.915  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.929   3.008  -3.129  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.099   3.793  -0.589  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.873   4.360  -2.803  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.457   4.751  -1.534  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.177   1.801  -3.302  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.502  -0.894  -3.835  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.000  -0.060  -1.801  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.284   0.414  -3.432  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       6.866   1.702  -0.176  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       8.243   2.719  -4.123  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       6.788   4.105   0.398  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       8.157   5.105  -3.534  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.425   5.802  -1.281  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.623  -0.348  -1.130  1.00  0.00           N  
ATOM    107  CA  CYS A   7       3.905  -1.030  -0.006  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.737  -1.677   1.151  1.00  0.00           C  
ATOM    109  O   CYS A   7       6.089  -1.589   0.992  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.838  -1.970  -0.601  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.519  -2.347   0.568  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.162  -2.275   2.222  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.397   0.602  -1.433  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.339  -0.230   0.509  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.347  -1.464  -1.446  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.274  -2.903  -1.005  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  CG  9XQ A   1       4.376  -7.087  -2.615  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       3.327  -8.017  -2.451  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       3.568  -9.321  -2.013  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       4.870  -9.673  -1.640  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       5.914  -8.762  -1.757  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       5.669  -7.485  -2.256  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       3.212 -12.442  -1.729  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       1.053 -12.065  -2.057  1.00  0.00           N  
HETATM    9  C   9XQ A   1       4.169  -5.699  -3.211  1.00  0.00           C  
HETATM   10  O   9XQ A   1       5.110  -5.028  -3.638  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       2.443 -10.256  -2.036  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       2.258 -11.575  -1.930  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       2.331  -7.725  -2.752  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       5.115 -10.650  -1.251  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       6.919  -9.042  -1.472  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       6.501  -6.801  -2.364  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       2.939 -13.430  -1.691  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       4.170 -12.083  -1.659  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       0.241 -11.465  -2.227  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       1.559  -9.816  -2.273  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       1.007 -13.089  -1.986  1.00  0.00           H  
ATOM     22  N   ALA A   2       2.908  -5.229  -3.300  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.509  -4.016  -4.055  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.055  -3.618  -3.630  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.143  -4.453  -3.589  1.00  0.00           O  
ATOM     26  CB  ALA A   2       2.579  -4.301  -5.572  1.00  0.00           C  
ATOM     27  H   ALA A   2       2.246  -5.666  -2.656  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.217  -3.193  -3.819  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.266  -3.426  -6.172  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       3.611  -4.548  -5.890  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       1.935  -5.150  -5.866  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.846  -2.339  -3.302  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.502  -1.768  -2.997  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.760  -0.487  -3.857  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.713  -0.437  -4.634  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.670  -1.529  -1.470  1.00  0.00           C  
ATOM     37  SG  CYS A   3      -0.085  -2.937  -0.501  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.687  -1.766  -3.400  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.293  -2.487  -3.296  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.105  -0.640  -1.134  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.727  -1.327  -1.220  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.099   0.545  -3.727  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.111   1.728  -4.641  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.447   1.949  -5.429  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.395   2.342  -6.594  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.291   2.983  -3.818  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.790   3.042  -3.395  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.533   4.310  -3.849  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.039   5.497  -3.091  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.094   6.758  -3.502  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.604   7.672  -2.730  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.615   7.125  -4.639  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.795   0.388  -2.996  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.645   1.603  -5.444  1.00  0.00           H  
ATOM     55  HB2 ARG A   4       0.360   3.080  -2.927  1.00  0.00           H  
ATOM     56  HB3 ARG A   4      -0.036   3.881  -4.417  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.332   2.170  -3.820  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -1.890   2.885  -2.303  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -2.408   4.413  -4.949  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -3.624   4.176  -3.686  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.589   5.374  -2.179  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.669   8.639  -3.053  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.222   7.360  -1.835  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -2.624   8.117  -4.880  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -2.989   6.353  -5.196  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.622   1.768  -4.799  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.952   2.002  -5.446  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.927   0.851  -5.009  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.252  -0.045  -5.785  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.512   3.441  -5.148  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.565   4.644  -5.310  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       3.214   5.106  -6.580  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       3.019   5.263  -4.178  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       2.326   6.171  -6.719  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       2.134   6.330  -4.318  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.789   6.782  -5.589  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.537   1.284  -3.906  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.857   1.906  -6.549  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.940   3.477  -4.128  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.398   3.605  -5.791  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       3.614   4.627  -7.463  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.281   4.917  -3.189  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       2.063   6.522  -7.707  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.733   6.814  -3.441  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       1.119   7.622  -5.704  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.326   0.873  -3.729  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.222  -0.129  -3.077  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.551  -0.923  -1.899  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.926  -2.071  -1.664  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.576   0.543  -2.657  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.599   2.032  -2.229  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.948   3.005  -3.175  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.198   2.433  -0.951  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.894   4.357  -2.848  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.147   3.788  -0.625  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.494   4.748  -1.574  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.195   1.795  -3.303  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.483  -0.926  -3.807  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.062  -0.060  -1.864  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.277   0.415  -3.505  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       8.249   2.716  -4.172  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       6.919   1.697  -0.211  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       8.169   5.100  -3.583  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.849   4.100   0.367  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.467   5.799  -1.321  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.587  -0.337  -1.148  1.00  0.00           N  
ATOM    107  CA  CYS A   7       3.879  -0.996  -0.006  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.763  -1.693   1.077  1.00  0.00           C  
ATOM    109  O   CYS A   7       5.847  -0.942   1.426  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.766  -1.871  -0.616  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.484  -2.303   0.571  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.484  -2.907   1.610  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.310   0.572  -1.524  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.366  -0.189   0.548  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.253  -1.308  -1.410  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.171  -2.788  -1.087  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  CG  9XQ A   1       3.279  -6.969  -1.765  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       3.872  -8.012  -2.502  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       4.279  -9.197  -1.887  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       4.074  -9.350  -0.507  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       3.479  -8.340   0.235  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       3.086  -7.166  -0.387  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       5.874 -11.864  -1.389  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       5.850 -12.102  -3.593  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.831  -5.648  -2.366  1.00  0.00           C  
HETATM   10  O   9XQ A   1       2.220  -4.840  -1.669  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       4.870 -10.235  -2.729  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       5.517 -11.389  -2.553  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       4.005  -7.874  -3.566  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       4.331 -10.252   0.023  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       3.310  -8.465   1.297  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       2.621  -6.397   0.219  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       5.654 -11.299  -0.561  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       6.379 -12.756  -1.387  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       6.348 -12.971  -3.366  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       4.803 -10.036  -3.724  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       5.594 -11.817  -4.543  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.088  -5.353  -3.665  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.702  -4.063  -4.308  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.200  -3.621  -4.137  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.274  -4.272  -4.624  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.080  -4.194  -5.797  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.686  -6.014  -4.162  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.362  -3.276  -3.884  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.887  -3.249  -6.339  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       4.149  -4.430  -5.952  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       2.480  -4.974  -6.304  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.998  -2.513  -3.412  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.350  -1.978  -3.068  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.675  -0.695  -3.905  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.642  -0.655  -4.666  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.401  -1.741  -1.533  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.195  -3.173  -0.608  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.860  -2.150  -3.003  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.136  -2.724  -3.308  1.00  0.00           H  
ATOM     40  HB2 CYS A   3       0.224  -0.879  -1.233  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.429  -1.500  -1.205  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.156   0.353  -3.759  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.083   1.597  -4.575  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.388   1.980  -5.347  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.288   2.488  -6.466  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.424   2.736  -3.638  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.962   2.959  -3.717  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.392   4.301  -4.340  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -1.867   4.439  -5.732  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.010   5.502  -6.508  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.402   5.507  -7.651  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.731   6.538  -6.183  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.864   0.185  -3.042  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.647   1.454  -5.398  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.125   2.559  -2.584  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.102   3.685  -3.869  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.467   2.119  -4.241  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.383   2.892  -2.693  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -3.502   4.361  -4.325  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -2.030   5.128  -3.692  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.251   3.719  -6.129  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.523   6.329  -8.244  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -0.823   4.689  -7.860  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -2.806   7.313  -6.842  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.191   6.450  -5.275  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.576   1.807  -4.741  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.892   2.144  -5.367  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.935   1.048  -4.950  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.333   0.204  -5.752  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.353   3.600  -5.003  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.367   4.752  -5.262  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       3.155   5.228  -6.557  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.652   5.312  -4.196  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       2.243   6.256  -6.786  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.739   6.337  -4.427  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.538   6.811  -5.721  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.514   1.259  -3.880  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.812   2.079  -6.471  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.667   3.642  -3.943  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.293   3.815  -5.547  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       3.695   4.795  -7.389  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       2.803   4.953  -3.188  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       2.101   6.630  -7.789  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.203   6.777  -3.596  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.852   7.627  -5.893  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.322   1.053  -3.665  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.287   0.097  -3.044  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.640  -0.823  -1.945  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.985  -2.002  -1.889  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.580   0.841  -2.553  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.506   2.329  -2.130  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.816   3.321  -3.069  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.058   2.704  -0.860  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.675   4.667  -2.744  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       6.920   4.053  -0.535  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.226   5.032  -1.478  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.101   1.936  -3.198  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.630  -0.627  -3.813  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.058   0.264  -1.737  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.329   0.754  -3.363  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       8.155   3.051  -4.060  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       6.812   1.953  -0.123  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.920   5.427  -3.472  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.582   4.345   0.449  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.128   6.080  -1.225  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.717  -0.306  -1.098  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.021  -1.069  -0.017  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.899  -1.530   1.183  1.00  0.00           C  
ATOM    109  O   CYS A   7       5.830  -2.470   0.856  1.00  0.00           O  
ATOM    110  CB  CYS A   7       3.115  -2.161  -0.607  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.753  -2.572   0.506  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.751  -1.041   2.438  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.415   0.628  -1.383  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.320  -0.342   0.438  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.658  -1.808  -1.541  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.695  -3.065  -0.872  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  CG  9XQ A   1       3.452  -6.796  -1.654  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       4.741  -7.261  -1.957  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       5.359  -8.237  -1.165  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       4.623  -8.838  -0.135  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       3.322  -8.435   0.135  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       2.748  -7.411  -0.608  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       7.670  -9.736   0.364  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       8.962  -9.132  -1.333  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.819  -5.604  -2.340  1.00  0.00           C  
HETATM   10  O   9XQ A   1       2.023  -4.913  -1.706  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       6.772  -8.510  -1.413  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       7.776  -9.132  -0.790  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       5.290  -6.763  -2.744  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       5.026  -9.625   0.486  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       2.757  -8.896   0.934  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       1.746  -7.086  -0.358  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       6.754  -9.715   0.826  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       8.522 -10.160   0.745  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       9.678  -9.618  -0.780  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       7.133  -8.040  -2.239  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       9.140  -8.680  -2.234  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.147  -5.293  -3.618  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.703  -4.041  -4.303  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.196  -3.608  -4.146  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.281  -4.236  -4.682  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.077  -4.204  -5.790  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.535  -6.066  -4.164  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.346  -3.224  -3.914  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.878  -3.273  -6.353  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       4.145  -4.443  -5.947  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       2.476  -4.996  -6.278  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.972  -2.529  -3.382  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.388  -1.994  -3.076  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.686  -0.698  -3.905  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.651  -0.640  -4.667  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.517  -1.778  -1.541  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.129  -3.175  -0.597  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.814  -2.218  -2.893  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.161  -2.737  -3.359  1.00  0.00           H  
ATOM     40  HB2 CYS A   3       0.033  -0.879  -1.207  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.572  -1.608  -1.259  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.155   0.341  -3.751  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.093   1.591  -4.562  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.398   1.965  -5.338  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.296   2.466  -6.460  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.409   2.733  -3.627  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.954   2.921  -3.663  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.438   4.227  -4.324  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -1.952   4.331  -5.733  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.133   5.368  -6.537  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.547   5.353  -7.690  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.872   6.396  -6.229  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.868   0.156  -3.042  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.639   1.457  -5.385  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.072   2.574  -2.582  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.087   3.689  -3.890  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.455   2.050  -4.137  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.340   2.887  -2.624  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -3.549   4.254  -4.284  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -2.086   5.088  -3.715  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.333   3.611  -6.125  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.699   6.153  -8.306  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -0.957   4.541  -7.889  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -2.979   7.149  -6.910  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.318   6.324  -5.312  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.588   1.791  -4.736  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.901   2.131  -5.367  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.950   1.039  -4.952  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.346   0.189  -5.748  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.357   3.593  -5.011  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.362   4.738  -5.267  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       3.128   5.200  -6.564  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.652   5.299  -4.198  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       2.194   6.210  -6.792  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.720   6.307  -4.426  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.493   6.763  -5.723  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.528   1.243  -3.875  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.818   2.062  -6.472  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.677   3.640  -3.954  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.291   3.812  -5.564  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       3.662   4.767  -7.398  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       2.820   4.953  -3.187  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       2.032   6.571  -7.797  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.188   6.747  -3.594  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.789   7.564  -5.895  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.343   1.054  -3.670  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.298   0.093  -3.037  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.669  -0.784  -1.895  1.00  0.00           C  
ATOM     89  O   PHE A   6       6.117  -1.917  -1.702  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.602   0.839  -2.579  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.523   2.317  -2.122  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.826   3.329  -3.041  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.070   2.664  -0.845  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.674   4.667  -2.691  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       6.921   4.006  -0.496  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.222   5.005  -1.418  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.123   1.940  -3.209  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.620  -0.656  -3.789  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.113   0.253  -1.790  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.322   0.774  -3.418  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       8.165   3.081  -4.038  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       6.822   1.897  -0.125  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.913   5.443  -3.406  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.578   4.277   0.494  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.116   6.046  -1.147  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.660  -0.288  -1.141  1.00  0.00           N  
ATOM    107  CA  CYS A   7       3.985  -1.024  -0.029  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.908  -1.660   1.061  1.00  0.00           C  
ATOM    109  O   CYS A   7       5.925  -0.830   1.432  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.956  -1.973  -0.674  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.679  -2.502   0.485  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.719  -2.898   1.579  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.318   0.608  -1.493  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.395  -0.272   0.529  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.423  -1.450  -1.484  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.443  -2.854  -1.131  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  CG  9XQ A   1       3.248  -6.967  -1.765  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       3.692  -8.071  -2.519  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       4.053  -9.273  -1.908  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       3.974  -9.373  -0.510  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       3.537  -8.298   0.251  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       3.174  -7.113  -0.369  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       5.376 -12.097  -1.478  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       5.113 -12.374  -3.661  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.827  -5.640  -2.365  1.00  0.00           C  
HETATM   10  O   9XQ A   1       2.242  -4.816  -1.663  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       4.448 -10.386  -2.768  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       4.969 -11.605  -2.619  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       3.723  -7.971  -3.596  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       4.207 -10.279   0.024  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       3.462  -8.384   1.329  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       2.828  -6.295   0.252  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       5.303 -11.496  -0.651  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       5.770 -13.044  -1.496  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       5.523 -13.293  -3.453  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       4.302 -10.203  -3.759  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       4.802 -12.081  -4.593  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.074  -5.359  -3.668  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.698  -4.066  -4.312  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.198  -3.618  -4.145  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.270  -4.252  -4.654  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.077  -4.198  -5.800  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.714  -5.998  -4.142  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.359  -3.282  -3.887  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       2.477  -4.976  -6.309  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       2.888  -3.253  -6.343  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       4.146  -4.437  -5.953  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.994  -2.520  -3.404  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.355  -1.981  -3.070  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.671  -0.700  -3.913  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.628  -0.670  -4.688  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.423  -1.743  -1.535  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.186  -3.166  -0.604  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.851  -2.187  -2.956  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.139  -2.726  -3.315  1.00  0.00           H  
ATOM     40  HB2 CYS A   3       0.185  -0.872  -1.229  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.458  -1.516  -1.217  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.154   0.352  -3.765  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.070   1.597  -4.582  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.393   1.952  -5.352  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.331   2.372  -6.512  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.480   2.744  -3.668  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -1.784   3.417  -4.179  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -1.607   4.598  -5.161  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -0.940   4.193  -6.433  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -1.531   3.758  -7.535  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -0.775   3.288  -8.474  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.818   3.771  -7.722  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.856   0.194  -3.038  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.657   1.429  -5.402  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.703   2.365  -2.648  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.299   3.507  -3.473  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.469   2.653  -4.599  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.337   3.800  -3.297  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -2.578   5.106  -5.334  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -0.992   5.380  -4.668  1.00  0.00           H  
ATOM     61  HE  ARG A   4       0.082   4.060  -6.462  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.223   2.933  -9.318  1.00  0.00           H  
ATOM     63 HH12 ARG A   4       0.219   3.207  -8.231  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -3.187   3.411  -8.603  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.348   4.140  -6.931  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.573   1.831  -4.720  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.893   2.138  -5.355  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.931   1.039  -4.941  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.311   0.185  -5.741  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.358   3.596  -5.012  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.400   4.743  -5.371  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       3.233   5.137  -6.700  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.665   5.381  -4.365  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       2.341   6.158  -7.021  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.778   6.405  -4.687  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.616   6.793  -6.014  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.508   1.333  -3.830  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.816   2.062  -6.460  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.610   3.664  -3.936  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.330   3.785  -5.508  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       3.796   4.653  -7.486  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       2.782   5.089  -3.330  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       2.229   6.473  -8.049  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.228   6.908  -3.904  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.943   7.601  -6.261  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.332   1.055  -3.664  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.295   0.095  -3.045  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.655  -0.809  -1.931  1.00  0.00           C  
ATOM     89  O   PHE A   6       6.017  -1.983  -1.852  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.596   0.836  -2.572  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.522   2.317  -2.129  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.076   2.674  -0.852  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.823   3.323  -3.056  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       6.933   4.019  -0.511  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.677   4.664  -2.714  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.232   5.012  -1.442  1.00  0.00           C  
ATOM     97  H   PHE A   6       5.123   1.943  -3.200  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.627  -0.637  -3.810  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.091   0.251  -1.773  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.328   0.761  -3.399  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       6.834   1.913  -0.124  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       8.157   3.068  -4.052  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       6.598   4.296   0.479  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       7.915   5.435  -3.434  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.131   6.054  -1.174  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.721  -0.291  -1.098  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.020  -1.047  -0.018  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.909  -1.545   1.159  1.00  0.00           C  
ATOM    109  O   CYS A   7       5.704  -2.605   0.838  1.00  0.00           O  
ATOM    110  CB  CYS A   7       3.080  -2.099  -0.627  1.00  0.00           C  
ATOM    111  SG  CYS A   7       1.742  -2.546   0.500  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.894  -0.977   2.389  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.416   0.639  -1.395  1.00  0.00           H  
ATOM    114  HA  CYS A   7       3.343  -0.311   0.459  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.603  -1.695  -1.530  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       3.643  -2.994  -0.949  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  CG  9XQ A   1       2.422  -7.243  -2.525  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       3.708  -7.672  -2.148  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       3.886  -8.806  -1.345  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       2.755  -9.496  -0.889  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       1.480  -9.082  -1.244  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       1.317  -7.974  -2.064  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       5.258 -10.929   0.542  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       7.157 -10.320  -0.423  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.151  -6.040  -3.413  1.00  0.00           C  
HETATM   10  O   9XQ A   1       1.066  -5.942  -3.986  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       5.256  -9.245  -1.080  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       5.866 -10.164  -0.325  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       4.559  -7.128  -2.528  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       2.820 -10.391  -0.289  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       0.609  -9.625  -0.901  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       0.310  -7.677  -2.333  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       5.841 -11.594   1.063  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       4.245 -10.809   0.653  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       7.714  -9.781  -1.093  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       5.956  -8.732  -1.611  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       7.541 -11.048   0.191  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.091  -5.065  -3.544  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.889  -3.809  -4.340  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.488  -3.097  -4.227  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.695  -3.117  -5.171  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.317  -4.107  -5.795  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.952  -5.210  -3.014  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.621  -3.068  -3.963  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       4.354  -4.479  -5.876  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       2.651  -4.861  -6.259  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       3.246  -3.201  -6.428  1.00  0.00           H  
ATOM     32  N   CYS A   3       1.161  -2.486  -3.068  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.226  -1.981  -2.812  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.664  -0.806  -3.753  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.690  -0.885  -4.429  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.423  -1.607  -1.322  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.338  -2.751  -0.158  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.882  -2.550  -2.346  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -0.923  -2.819  -3.021  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.012  -0.604  -1.103  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.504  -1.534  -1.094  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.135   0.273  -3.791  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.045   1.317  -4.854  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.394   1.649  -5.578  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.375   1.965  -6.768  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.607   2.593  -4.257  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -2.096   2.431  -3.829  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -3.002   3.623  -4.172  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.617   4.827  -3.380  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.800   6.086  -3.755  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -2.389   7.024  -2.964  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -3.373   6.432  -4.874  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.950   0.149  -3.185  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.608   0.960  -5.678  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.005   2.965  -3.405  1.00  0.00           H  
ATOM     56  HB3 ARG A   4      -0.524   3.397  -5.015  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.529   1.544  -4.339  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.163   2.160  -2.756  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -2.945   3.785  -5.270  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -4.059   3.348  -3.966  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -2.140   4.718  -2.480  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -2.554   7.987  -3.261  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.964   6.726  -2.083  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -3.483   7.423  -5.090  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.679   5.639  -5.443  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.537   1.647  -4.871  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.872   2.001  -5.449  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.937   0.958  -4.960  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.486   0.181  -5.739  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.267   3.484  -5.118  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.218   4.585  -5.361  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.588   5.209  -4.276  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.841   4.930  -6.662  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       1.597   6.164  -4.492  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.846   5.881  -6.876  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.227   6.498  -5.793  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.443   1.209  -3.954  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.846   1.902  -6.554  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.614   3.555  -4.069  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.176   3.738  -5.697  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       2.866   4.953  -3.263  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.300   4.439  -7.509  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.130   6.655  -3.651  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.560   6.137  -7.887  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.470   7.249  -5.966  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.184   0.940  -3.641  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.140   0.022  -2.958  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.458  -0.748  -1.770  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.529  -1.977  -1.731  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.471   0.769  -2.600  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.426   2.240  -2.117  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.577   3.274  -3.051  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.200   2.561  -0.775  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.491   4.604  -2.651  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.115   3.895  -0.376  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.259   4.914  -1.315  1.00  0.00           C  
ATOM     97  H   PHE A   6       4.812   1.768  -3.171  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.433  -0.787  -3.659  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.047   0.168  -1.870  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.116   0.728  -3.500  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       7.757   3.049  -4.093  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       7.098   1.779  -0.035  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.615   5.397  -3.377  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.953   4.143   0.664  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.207   5.949  -1.004  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.803  -0.040  -0.821  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.236  -0.595   0.445  1.00  0.00           C  
ATOM    108  C   CYS A   7       5.078  -1.659   1.218  1.00  0.00           C  
ATOM    109  O   CYS A   7       4.811  -2.948   0.864  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.715  -0.851   0.308  1.00  0.00           C  
ATOM    111  SG  CYS A   7       2.319  -2.504  -0.291  1.00  0.00           S  
ATOM    112  OXT CYS A   7       5.995  -1.329   2.160  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.815   0.966  -1.009  1.00  0.00           H  
ATOM    114  HA  CYS A   7       4.280   0.268   1.138  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.211  -0.714   1.283  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       2.238  -0.117  -0.368  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  CG  9XQ A   1       2.539  -7.233  -2.541  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       2.003  -8.486  -2.883  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       2.294  -9.630  -2.145  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       3.068  -9.504  -0.980  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       3.562  -8.264  -0.592  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       3.312  -7.141  -1.369  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       2.642 -12.674  -1.390  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       1.436 -13.092  -3.200  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.254  -6.077  -3.475  1.00  0.00           C  
HETATM   10  O   9XQ A   1       1.298  -6.135  -4.255  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       1.826 -10.906  -2.680  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       1.972 -12.204  -2.408  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       1.397  -8.554  -3.781  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       3.314 -10.344  -0.352  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       4.152  -8.170   0.313  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       3.704  -6.186  -1.048  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       2.690 -13.694  -1.298  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       3.080 -11.995  -0.760  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       1.614 -14.065  -2.925  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       1.279 -10.798  -3.534  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       0.907 -12.817  -4.035  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.077  -4.999  -3.467  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.873  -3.789  -4.325  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.455  -3.129  -4.213  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.637  -3.213  -5.133  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.311  -4.107  -5.774  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.962  -5.144  -2.972  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.588  -3.023  -3.967  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       4.348  -4.483  -5.836  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       2.651  -4.867  -6.234  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       3.250  -3.208  -6.417  1.00  0.00           H  
ATOM     32  N   CYS A   3       1.147  -2.485  -3.071  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.231  -1.977  -2.802  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.664  -0.794  -3.735  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.693  -0.867  -4.409  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.395  -1.629  -1.302  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.397  -2.797  -0.172  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.895  -2.504  -2.372  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -0.937  -2.807  -3.010  1.00  0.00           H  
ATOM     40  HB2 CYS A   3       0.017  -0.628  -1.076  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.471  -1.563  -1.050  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.142   0.281  -3.780  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.057   1.318  -4.853  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.404   1.644  -5.584  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.380   1.951  -6.776  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.591   2.603  -4.271  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -2.082   2.454  -3.847  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.974   3.658  -4.182  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.570   4.857  -3.389  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.741   6.119  -3.759  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -2.310   7.050  -2.971  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -3.323   6.474  -4.869  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.961   0.153  -3.182  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.598   0.956  -5.674  1.00  0.00           H  
ATOM     55  HB2 ARG A   4       0.011   2.982  -3.423  1.00  0.00           H  
ATOM     56  HB3 ARG A   4      -0.503   3.399  -5.038  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.522   1.575  -4.361  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.151   2.178  -2.775  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -2.920   3.823  -5.279  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -4.033   3.397  -3.972  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -2.082   4.740  -2.496  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -2.465   8.017  -3.263  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.877   6.745  -2.097  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -3.423   7.467  -5.083  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.644   5.687  -5.438  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.549   1.652  -4.880  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.880   2.006  -5.466  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.943   0.960  -4.984  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.471   0.168  -5.763  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.282   3.487  -5.132  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.239   4.591  -5.383  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.610   5.224  -4.304  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.872   4.931  -6.686  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       1.627   6.184  -4.529  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.885   5.887  -6.910  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.264   6.515  -5.832  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.463   1.213  -3.962  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.849   1.910  -6.572  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.622   3.556  -4.080  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.196   3.737  -5.704  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       2.882   4.971  -3.288  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.332   4.433  -7.528  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.159   6.682  -3.693  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.605   6.139  -7.924  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.514   7.269  -6.014  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.206   0.958  -3.671  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.125   0.017  -2.978  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.334  -0.744  -1.853  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.080  -1.943  -1.986  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.455   0.743  -2.561  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.429   2.228  -2.110  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.194   2.582  -0.777  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.609   3.240  -3.064  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.118   3.926  -0.409  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.533   4.580  -2.694  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.286   4.922  -1.368  1.00  0.00           C  
ATOM     97  H   PHE A   6       4.832   1.783  -3.197  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.433  -0.788  -3.678  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       7.977   0.140  -1.794  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.145   0.672  -3.425  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       7.076   1.819  -0.022  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       7.802   2.991  -4.098  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       6.943   4.198   0.622  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       7.678   5.356  -3.434  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.239   5.963  -1.082  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.910  -0.043  -0.780  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.259  -0.619   0.435  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.991  -1.701   1.295  1.00  0.00           C  
ATOM    109  O   CYS A   7       5.865  -2.486   0.604  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.751  -0.880   0.228  1.00  0.00           C  
ATOM    111  SG  CYS A   7       2.382  -2.557  -0.317  1.00  0.00           S  
ATOM    112  OXT CYS A   7       4.773  -1.847   2.624  1.00  0.00           O  
ATOM    113  H   CYS A   7       5.049   0.965  -0.896  1.00  0.00           H  
ATOM    114  HA  CYS A   7       4.268   0.240   1.134  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.203  -0.713   1.174  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       2.308  -0.172  -0.498  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  CG  9XQ A   1       2.419  -7.248  -2.521  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       3.707  -7.714  -2.201  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       3.889  -8.856  -1.409  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       2.760  -9.512  -0.902  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       1.483  -9.059  -1.197  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       1.315  -7.946  -2.010  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       5.279 -11.056   0.373  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       7.148 -10.493  -0.676  1.00  0.00           N  
HETATM    9  C   9XQ A   1       2.145  -6.042  -3.402  1.00  0.00           C  
HETATM   10  O   9XQ A   1       1.050  -5.938  -3.959  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       5.255  -9.342  -1.219  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       5.869 -10.295  -0.510  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       4.556  -7.195  -2.623  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       2.824 -10.409  -0.305  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       0.612  -9.576  -0.815  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       0.307  -7.620  -2.236  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       5.864 -11.749   0.852  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       4.279 -10.904   0.538  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       7.689  -9.963  -1.366  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       5.944  -8.847  -1.778  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       7.536 -11.247  -0.097  1.00  0.00           H  
ATOM     22  N   ALA A   2       3.089  -5.074  -3.545  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.885  -3.818  -4.341  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.485  -3.103  -4.228  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.690  -3.125  -5.170  1.00  0.00           O  
ATOM     26  CB  ALA A   2       3.309  -4.119  -5.797  1.00  0.00           C  
ATOM     27  H   ALA A   2       3.947  -5.216  -3.010  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.619  -3.077  -3.968  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       3.237  -3.215  -6.431  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       4.346  -4.492  -5.880  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       2.642  -4.875  -6.257  1.00  0.00           H  
ATOM     32  N   CYS A   3       1.162  -2.488  -3.071  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.225  -1.982  -2.814  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.662  -0.807  -3.754  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.689  -0.886  -4.429  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.421  -1.608  -1.323  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.342  -2.755  -0.160  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.884  -2.549  -2.350  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -0.923  -2.819  -3.023  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.010  -0.607  -1.103  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.501  -1.537  -1.094  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.136   0.272  -3.791  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.046   1.317  -4.855  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.394   1.652  -5.578  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.375   1.969  -6.767  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.613   2.591  -4.259  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -2.104   2.424  -3.840  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -3.007   3.620  -4.172  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.630   4.813  -3.358  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.740   6.078  -3.744  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -2.360   7.001  -2.921  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -3.211   6.443  -4.903  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.952   0.146  -3.189  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.605   0.957  -5.680  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.017   2.963  -3.403  1.00  0.00           H  
ATOM     56  HB3 ARG A   4      -0.528   3.397  -5.016  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.534   1.544  -4.362  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.174   2.140  -2.771  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -2.946   3.795  -5.267  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -4.066   3.342  -3.978  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -2.230   4.690  -2.424  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -2.470   7.970  -3.226  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -2.019   6.689  -2.009  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -3.270   7.437  -5.124  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.496   5.662  -5.498  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.537   1.650  -4.870  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.872   2.006  -5.446  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.937   0.964  -4.958  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.485   0.186  -5.739  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.266   3.489  -5.114  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.217   4.589  -5.371  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.569   5.206  -4.293  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       2.860   4.937  -6.676  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       1.578   6.158  -4.522  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       1.865   5.886  -6.903  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.227   6.497  -5.827  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.442   1.217  -3.950  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.846   1.908  -6.552  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.603   3.562  -4.063  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.179   3.742  -5.686  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       2.830   4.947  -3.278  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.334   4.450  -7.518  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.094   6.643  -3.687  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       1.595   6.143  -7.917  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.470   7.246  -6.010  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.186   0.946  -3.641  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.143   0.029  -2.959  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.461  -0.743  -1.771  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.535  -1.973  -1.735  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.476   0.773  -2.600  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.432   2.249  -2.130  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.589   3.273  -3.073  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.204   2.582  -0.791  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.506   4.607  -2.685  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.121   3.919  -0.404  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.271   4.930  -1.352  1.00  0.00           C  
ATOM     97  H   PHE A   6       4.815   1.775  -3.170  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.435  -0.781  -3.660  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.046   0.176  -1.863  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.124   0.723  -3.497  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       7.771   3.038  -4.113  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       7.097   1.807  -0.045  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.634   5.393  -3.418  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       6.956   4.177   0.633  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.221   5.967  -1.051  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.805  -0.038  -0.821  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.236  -0.596   0.443  1.00  0.00           C  
ATOM    108  C   CYS A   7       5.077  -1.662   1.216  1.00  0.00           C  
ATOM    109  O   CYS A   7       4.826  -2.948   0.842  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.715  -0.853   0.304  1.00  0.00           C  
ATOM    111  SG  CYS A   7       2.322  -2.507  -0.294  1.00  0.00           S  
ATOM    112  OXT CYS A   7       5.977  -1.336   2.175  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.814   0.968  -1.009  1.00  0.00           H  
ATOM    114  HA  CYS A   7       4.279   0.265   1.137  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.210  -0.715   1.278  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       2.239  -0.120  -0.374  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  CG  9XQ A   1       3.646  -7.169  -2.871  1.00  0.00           C  
HETATM    2  CD1 9XQ A   1       4.134  -8.270  -3.591  1.00  0.00           C  
HETATM    3  CE1 9XQ A   1       3.861  -9.577  -3.179  1.00  0.00           C  
HETATM    4  CZ  9XQ A   1       3.203  -9.778  -1.957  1.00  0.00           C  
HETATM    5  CE2 9XQ A   1       2.776  -8.695  -1.195  1.00  0.00           C  
HETATM    6  CD2 9XQ A   1       2.980  -7.400  -1.659  1.00  0.00           C  
HETATM    7  NH1 9XQ A   1       3.334 -12.685  -3.357  1.00  0.00           N  
HETATM    8  NH2 9XQ A   1       4.397 -12.583  -5.299  1.00  0.00           N  
HETATM    9  C   9XQ A   1       3.816  -5.813  -3.506  1.00  0.00           C  
HETATM   10  O   9XQ A   1       4.844  -5.521  -4.118  1.00  0.00           O  
HETATM   11  NE3 9XQ A   1       4.204 -10.649  -4.109  1.00  0.00           N  
HETATM   12  CE4 9XQ A   1       3.977 -11.959  -4.233  1.00  0.00           C  
HETATM   13  HD1 9XQ A   1       4.635  -8.081  -4.533  1.00  0.00           H  
HETATM   14  HZ  9XQ A   1       2.996 -10.762  -1.564  1.00  0.00           H  
HETATM   15  HE2 9XQ A   1       2.272  -8.855  -0.251  1.00  0.00           H  
HETATM   16  HD2 9XQ A   1       2.624  -6.566  -1.068  1.00  0.00           H  
HETATM   17 HH12 9XQ A   1       3.218 -13.680  -3.579  1.00  0.00           H  
HETATM   18 HH11 9XQ A   1       2.978 -12.215  -2.519  1.00  0.00           H  
HETATM   19 HH21 9XQ A   1       4.894 -12.089  -6.048  1.00  0.00           H  
HETATM   20  HE3 9XQ A   1       4.686 -10.311  -4.939  1.00  0.00           H  
HETATM   21 HH22 9XQ A   1       4.166 -13.583  -5.322  1.00  0.00           H  
ATOM     22  N   ALA A   2       2.735  -5.012  -3.500  1.00  0.00           N  
ATOM     23  CA  ALA A   2       2.599  -3.763  -4.302  1.00  0.00           C  
ATOM     24  C   ALA A   2       1.156  -3.209  -4.052  1.00  0.00           C  
ATOM     25  O   ALA A   2       0.221  -3.539  -4.790  1.00  0.00           O  
ATOM     26  CB  ALA A   2       2.836  -4.003  -5.820  1.00  0.00           C  
ATOM     27  H   ALA A   2       1.910  -5.427  -3.059  1.00  0.00           H  
ATOM     28  HA  ALA A   2       3.344  -3.020  -3.951  1.00  0.00           H  
ATOM     29  HB1 ALA A   2       3.871  -4.319  -6.041  1.00  0.00           H  
ATOM     30  HB2 ALA A   2       2.163  -4.783  -6.220  1.00  0.00           H  
ATOM     31  HB3 ALA A   2       2.656  -3.086  -6.412  1.00  0.00           H  
ATOM     32  N   CYS A   3       0.934  -2.392  -3.005  1.00  0.00           N  
ATOM     33  CA  CYS A   3      -0.411  -1.781  -2.756  1.00  0.00           C  
ATOM     34  C   CYS A   3      -0.741  -0.617  -3.756  1.00  0.00           C  
ATOM     35  O   CYS A   3      -1.727  -0.667  -4.491  1.00  0.00           O  
ATOM     36  CB  CYS A   3      -0.567  -1.340  -1.280  1.00  0.00           C  
ATOM     37  SG  CYS A   3       0.116  -2.505  -0.084  1.00  0.00           S  
ATOM     38  H   CYS A   3       1.748  -2.255  -2.397  1.00  0.00           H  
ATOM     39  HA  CYS A   3      -1.183  -2.560  -2.924  1.00  0.00           H  
ATOM     40  HB2 CYS A   3      -0.079  -0.367  -1.095  1.00  0.00           H  
ATOM     41  HB3 CYS A   3      -1.637  -1.177  -1.046  1.00  0.00           H  
ATOM     42  N   ARG A   4       0.113   0.419  -3.784  1.00  0.00           N  
ATOM     43  CA  ARG A   4       0.095   1.477  -4.834  1.00  0.00           C  
ATOM     44  C   ARG A   4       1.444   1.717  -5.588  1.00  0.00           C  
ATOM     45  O   ARG A   4       1.412   2.049  -6.775  1.00  0.00           O  
ATOM     46  CB  ARG A   4      -0.454   2.782  -4.188  1.00  0.00           C  
ATOM     47  CG  ARG A   4      -2.004   2.907  -4.253  1.00  0.00           C  
ATOM     48  CD  ARG A   4      -2.515   4.279  -4.732  1.00  0.00           C  
ATOM     49  NE  ARG A   4      -2.089   4.498  -6.147  1.00  0.00           N  
ATOM     50  CZ  ARG A   4      -2.230   5.620  -6.835  1.00  0.00           C  
ATOM     51  NH1 ARG A   4      -1.709   5.676  -8.019  1.00  0.00           N  
ATOM     52  NH2 ARG A   4      -2.867   6.663  -6.386  1.00  0.00           N  
ATOM     53  H   ARG A   4       0.869   0.306  -3.105  1.00  0.00           H  
ATOM     54  HA  ARG A   4      -0.582   1.170  -5.658  1.00  0.00           H  
ATOM     55  HB2 ARG A   4      -0.104   2.895  -3.142  1.00  0.00           H  
ATOM     56  HB3 ARG A   4       0.014   3.655  -4.686  1.00  0.00           H  
ATOM     57  HG2 ARG A   4      -2.452   2.110  -4.884  1.00  0.00           H  
ATOM     58  HG3 ARG A   4      -2.420   2.683  -3.250  1.00  0.00           H  
ATOM     59  HD2 ARG A   4      -3.622   4.304  -4.642  1.00  0.00           H  
ATOM     60  HD3 ARG A   4      -2.128   5.071  -4.055  1.00  0.00           H  
ATOM     61  HE  ARG A   4      -1.550   3.774  -6.637  1.00  0.00           H  
ATOM     62 HH11 ARG A   4      -1.832   6.542  -8.546  1.00  0.00           H  
ATOM     63 HH12 ARG A   4      -1.207   4.843  -8.334  1.00  0.00           H  
ATOM     64 HH21 ARG A   4      -2.950   7.486  -6.985  1.00  0.00           H  
ATOM     65 HH22 ARG A   4      -3.266   6.532  -5.454  1.00  0.00           H  
ATOM     66  N   PHE A   5       2.594   1.632  -4.905  1.00  0.00           N  
ATOM     67  CA  PHE A   5       3.940   1.888  -5.505  1.00  0.00           C  
ATOM     68  C   PHE A   5       4.938   0.787  -5.006  1.00  0.00           C  
ATOM     69  O   PHE A   5       5.425  -0.034  -5.781  1.00  0.00           O  
ATOM     70  CB  PHE A   5       4.430   3.347  -5.198  1.00  0.00           C  
ATOM     71  CG  PHE A   5       3.475   4.504  -5.549  1.00  0.00           C  
ATOM     72  CD1 PHE A   5       2.788   5.178  -4.532  1.00  0.00           C  
ATOM     73  CD2 PHE A   5       3.244   4.855  -6.882  1.00  0.00           C  
ATOM     74  CE1 PHE A   5       1.883   6.190  -4.848  1.00  0.00           C  
ATOM     75  CE2 PHE A   5       2.338   5.865  -7.196  1.00  0.00           C  
ATOM     76  CZ  PHE A   5       1.660   6.533  -6.179  1.00  0.00           C  
ATOM     77  H   PHE A   5       2.487   1.236  -3.969  1.00  0.00           H  
ATOM     78  HA  PHE A   5       3.896   1.771  -6.607  1.00  0.00           H  
ATOM     79  HB2 PHE A   5       4.716   3.430  -4.132  1.00  0.00           H  
ATOM     80  HB3 PHE A   5       5.388   3.513  -5.729  1.00  0.00           H  
ATOM     81  HD1 PHE A   5       2.951   4.920  -3.496  1.00  0.00           H  
ATOM     82  HD2 PHE A   5       3.759   4.331  -7.677  1.00  0.00           H  
ATOM     83  HE1 PHE A   5       1.369   6.718  -4.057  1.00  0.00           H  
ATOM     84  HE2 PHE A   5       2.179   6.136  -8.229  1.00  0.00           H  
ATOM     85  HZ  PHE A   5       0.978   7.335  -6.421  1.00  0.00           H  
ATOM     86  N   PHE A   6       5.194   0.771  -3.690  1.00  0.00           N  
ATOM     87  CA  PHE A   6       6.084  -0.203  -2.998  1.00  0.00           C  
ATOM     88  C   PHE A   6       5.356  -0.898  -1.791  1.00  0.00           C  
ATOM     89  O   PHE A   6       5.336  -2.127  -1.735  1.00  0.00           O  
ATOM     90  CB  PHE A   6       7.471   0.447  -2.659  1.00  0.00           C  
ATOM     91  CG  PHE A   6       7.538   1.928  -2.211  1.00  0.00           C  
ATOM     92  CD1 PHE A   6       7.339   2.296  -0.877  1.00  0.00           C  
ATOM     93  CD2 PHE A   6       7.761   2.925  -3.170  1.00  0.00           C  
ATOM     94  CE1 PHE A   6       7.350   3.642  -0.511  1.00  0.00           C  
ATOM     95  CE2 PHE A   6       7.770   4.268  -2.803  1.00  0.00           C  
ATOM     96  CZ  PHE A   6       7.564   4.625  -1.474  1.00  0.00           C  
ATOM     97  H   PHE A   6       4.884   1.627  -3.223  1.00  0.00           H  
ATOM     98  HA  PHE A   6       6.309  -1.046  -3.685  1.00  0.00           H  
ATOM     99  HB2 PHE A   6       8.000  -0.181  -1.917  1.00  0.00           H  
ATOM    100  HB3 PHE A   6       8.107   0.334  -3.559  1.00  0.00           H  
ATOM    101  HD1 PHE A   6       7.181   1.541  -0.120  1.00  0.00           H  
ATOM    102  HD2 PHE A   6       7.920   2.661  -4.207  1.00  0.00           H  
ATOM    103  HE1 PHE A   6       7.205   3.925   0.522  1.00  0.00           H  
ATOM    104  HE2 PHE A   6       7.948   5.031  -3.547  1.00  0.00           H  
ATOM    105  HZ  PHE A   6       7.584   5.668  -1.188  1.00  0.00           H  
ATOM    106  N   CYS A   7       4.760  -0.134  -0.846  1.00  0.00           N  
ATOM    107  CA  CYS A   7       4.167  -0.635   0.432  1.00  0.00           C  
ATOM    108  C   CYS A   7       4.936  -1.756   1.206  1.00  0.00           C  
ATOM    109  O   CYS A   7       4.592  -3.023   0.835  1.00  0.00           O  
ATOM    110  CB  CYS A   7       2.631  -0.780   0.313  1.00  0.00           C  
ATOM    111  SG  CYS A   7       2.107  -2.414  -0.239  1.00  0.00           S  
ATOM    112  OXT CYS A   7       5.861  -1.492   2.160  1.00  0.00           O  
ATOM    113  H   CYS A   7       4.859   0.867  -1.036  1.00  0.00           H  
ATOM    114  HA  CYS A   7       4.283   0.227   1.116  1.00  0.00           H  
ATOM    115  HB2 CYS A   7       2.149  -0.585   1.290  1.00  0.00           H  
ATOM    116  HB3 CYS A   7       2.201  -0.028  -0.376  1.00  0.00           H  
TER     117      CYS A   7                                                      
ENDMDL                                                                          
CONECT    1    2    6    9                                                      
CONECT    2    1    3   13                                                      
CONECT    3    2    4   11                                                      
CONECT    4    3    5   14                                                      
CONECT    5    4    6   15                                                      
CONECT    6    1    5   16                                                      
CONECT    7   12   17   18                                                      
CONECT    8   12   19   21                                                      
CONECT    9    1   10   22                                                      
CONECT   10    9                                                                
CONECT   11    3   12   20                                                      
CONECT   12    7    8   11                                                      
CONECT   13    2                                                                
CONECT   14    4                                                                
CONECT   15    5                                                                
CONECT   16    6                                                                
CONECT   17    7                                                                
CONECT   18    7                                                                
CONECT   19    8                                                                
CONECT   20   11                                                                
CONECT   21    8                                                                
CONECT   22    9                                                                
CONECT   37  111                                                                
CONECT  111   37                                                                
MASTER      184    0    1    0    0    0    0    6   63    1   24    1          
END