HEADER    MEMBRANE PROTEIN                        21-OCT-03   1R7C              
TITLE     NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE             
TITLE    2 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS (MINIMIZED      
TITLE    3 AVERAGE STRUCTURE, SAMPLE IN 50% TFE)                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GENOME POLYPROTEIN;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: NONSTRUCTURAL PROTEIN NS5A (P56)(RESIDUES 1973-2003 OF     
COMPND   5 SWISS-PROT SEQUENCE P27958);                                         
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE  
SOURCE   4 IS NATURALLY FOUND IN HEPATITIS C VIRUS.                             
KEYWDS    MEMBRANE ANCHOR DOMAIN, HCV NS5A PROTEIN, MEMBRANE PROTEIN            
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    F.PENIN,V.BRASS,N.APPEL,S.RAMBOARINA,R.MONTSERRET,D.FICHEUX,H.E.BLUM, 
AUTHOR   2 R.BARTENSCHLAGER,D.MORADPOUR                                         
REVDAT   5   02-MAR-22 1R7C    1       REMARK                                   
REVDAT   4   24-FEB-09 1R7C    1       VERSN                                    
REVDAT   3   28-SEP-04 1R7C    1       JRNL                                     
REVDAT   2   07-SEP-04 1R7C    1       JRNL                                     
REVDAT   1   10-AUG-04 1R7C    0                                                
JRNL        AUTH   F.PENIN,V.BRASS,N.APPEL,S.RAMBOARINA,R.MONTSERRET,D.FICHEUX, 
JRNL        AUTH 2 H.E.BLUM,R.BARTENSCHLAGER,D.MORADPOUR                        
JRNL        TITL   STRUCTURE AND FUNCTION OF THE MEMBRANE ANCHOR DOMAIN OF      
JRNL        TITL 2 HEPATITIS C VIRUS NONSTRUCTURAL PROTEIN 5A.                  
JRNL        REF    J.BIOL.CHEM.                  V. 279 40835 2004              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   15247283                                                     
JRNL        DOI    10.1074/JBC.M404761200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 6.1, X-PLOR 3.85                                
REMARK   3   AUTHORS     : VARIAN (VNMR), BRUNGER (X-PLOR)                      
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1R7C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-OCT-03.                  
REMARK 100 THE DEPOSITION ID IS D_1000020526.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 4.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.2MM NS5A[1-31], 10MM DTTD10      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; 2D TOCSY; DQF-COSY; 1H   
REMARK 210                                   -13C HSQC                          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITYPLUS                          
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR 6.1, X-PLOR 3.85              
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING, MOLECULAR DYNAMICS,     
REMARK 210                                   ENERGY MINIMIZATION                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: 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    SER A   3       67.32   -112.42                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A   6         0.31    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1R7D   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE            
REMARK 900 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS. (ENSEMBLE OF   
REMARK 900 51 STRUCTURES, SAMPLE IN 50% TFE)                                    
REMARK 900 RELATED ID: 1R7E   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE            
REMARK 900 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS. (MINIMIZED     
REMARK 900 AVERAGE STRUCTURE, SAMPLE IN 100MM SDS.)                             
REMARK 900 RELATED ID: 1R7F   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE            
REMARK 900 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS. (ENSEMBLE OF   
REMARK 900 43 STRUCTURES, SAMPLE IN 100MM SDS.)                                 
REMARK 900 RELATED ID: 1R7G   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE            
REMARK 900 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS. (MINIMIZED     
REMARK 900 AVERAGE STRUCTURE, SAMPLE IN 100MM DPC)                              
DBREF  1R7C A    1    31  UNP    P27958   POLG_HCVH     1973   2003             
SEQRES   1 A   31  SER GLY SER TRP LEU ARG ASP ILE TRP ASP TRP ILE CYS          
SEQRES   2 A   31  GLU VAL LEU SER ASP PHE LYS THR TRP LEU LYS ALA LYS          
SEQRES   3 A   31  LEU MET PRO GLN LEU                                          
HELIX    1   1 SER A    3  MET A   28  1                                  26    
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                         
ATOM      1  N   SER A   1     -25.426   7.313  -7.069  1.00  6.70           N  
ATOM      2  CA  SER A   1     -24.717   7.134  -5.764  1.00  6.07           C  
ATOM      3  C   SER A   1     -24.055   5.750  -5.699  1.00  5.02           C  
ATOM      4  O   SER A   1     -24.283   4.902  -6.542  1.00  5.09           O  
ATOM      5  CB  SER A   1     -25.806   7.262  -4.693  1.00  6.64           C  
ATOM      6  OG  SER A   1     -26.910   6.432  -5.033  1.00  7.34           O  
ATOM      7  H1  SER A   1     -25.801   8.281  -7.132  1.00  7.02           H  
ATOM      8  H2  SER A   1     -26.211   6.631  -7.135  1.00  6.89           H  
ATOM      9  H3  SER A   1     -24.761   7.151  -7.852  1.00  6.95           H  
ATOM     10  HA  SER A   1     -23.979   7.909  -5.631  1.00  6.39           H  
ATOM     11  HB2 SER A   1     -25.412   6.954  -3.739  1.00  6.68           H  
ATOM     12  HB3 SER A   1     -26.125   8.295  -4.629  1.00  6.82           H  
ATOM     13  HG  SER A   1     -27.540   6.463  -4.309  1.00  7.74           H  
ATOM     14  N   GLY A   2     -23.235   5.518  -4.702  1.00  4.41           N  
ATOM     15  CA  GLY A   2     -22.554   4.192  -4.577  1.00  3.74           C  
ATOM     16  C   GLY A   2     -21.708   4.160  -3.299  1.00  3.06           C  
ATOM     17  O   GLY A   2     -21.946   4.907  -2.368  1.00  3.32           O  
ATOM     18  H   GLY A   2     -23.066   6.217  -4.035  1.00  4.73           H  
ATOM     19  HA2 GLY A   2     -23.299   3.409  -4.536  1.00  4.14           H  
ATOM     20  HA3 GLY A   2     -21.914   4.034  -5.432  1.00  3.87           H  
ATOM     21  N   SER A   3     -20.719   3.301  -3.250  1.00  2.72           N  
ATOM     22  CA  SER A   3     -19.850   3.216  -2.035  1.00  2.56           C  
ATOM     23  C   SER A   3     -18.430   3.700  -2.367  1.00  2.06           C  
ATOM     24  O   SER A   3     -17.484   2.933  -2.362  1.00  2.10           O  
ATOM     25  CB  SER A   3     -19.851   1.731  -1.651  1.00  3.27           C  
ATOM     26  OG  SER A   3     -19.895   1.608  -0.234  1.00  3.79           O  
ATOM     27  H   SER A   3     -20.546   2.711  -4.014  1.00  3.01           H  
ATOM     28  HA  SER A   3     -20.268   3.803  -1.232  1.00  2.91           H  
ATOM     29  HB2 SER A   3     -20.716   1.248  -2.075  1.00  3.69           H  
ATOM     30  HB3 SER A   3     -18.956   1.260  -2.037  1.00  3.58           H  
ATOM     31  HG  SER A   3     -20.818   1.585   0.034  1.00  4.25           H  
ATOM     32  N   TRP A   4     -18.276   4.972  -2.652  1.00  2.20           N  
ATOM     33  CA  TRP A   4     -16.918   5.515  -2.985  1.00  2.28           C  
ATOM     34  C   TRP A   4     -15.989   5.422  -1.767  1.00  2.15           C  
ATOM     35  O   TRP A   4     -14.815   5.129  -1.898  1.00  2.29           O  
ATOM     36  CB  TRP A   4     -17.147   6.978  -3.380  1.00  3.11           C  
ATOM     37  CG  TRP A   4     -16.669   7.193  -4.780  1.00  3.66           C  
ATOM     38  CD1 TRP A   4     -17.438   7.090  -5.889  1.00  4.02           C  
ATOM     39  CD2 TRP A   4     -15.331   7.539  -5.241  1.00  4.24           C  
ATOM     40  NE1 TRP A   4     -16.656   7.353  -7.000  1.00  4.80           N  
ATOM     41  CE2 TRP A   4     -15.351   7.636  -6.652  1.00  4.94           C  
ATOM     42  CE3 TRP A   4     -14.115   7.778  -4.576  1.00  4.44           C  
ATOM     43  CZ2 TRP A   4     -14.204   7.958  -7.379  1.00  5.72           C  
ATOM     44  CZ3 TRP A   4     -12.959   8.102  -5.304  1.00  5.20           C  
ATOM     45  CH2 TRP A   4     -13.003   8.192  -6.703  1.00  5.81           C  
ATOM     46  H   TRP A   4     -19.054   5.569  -2.647  1.00  2.63           H  
ATOM     47  HA  TRP A   4     -16.495   4.973  -3.816  1.00  2.29           H  
ATOM     48  HB2 TRP A   4     -18.200   7.210  -3.319  1.00  3.26           H  
ATOM     49  HB3 TRP A   4     -16.598   7.623  -2.710  1.00  3.45           H  
ATOM     50  HD1 TRP A   4     -18.489   6.843  -5.904  1.00  3.90           H  
ATOM     51  HE1 TRP A   4     -16.971   7.344  -7.927  1.00  5.31           H  
ATOM     52  HE3 TRP A   4     -14.070   7.711  -3.500  1.00  4.16           H  
ATOM     53  HZ2 TRP A   4     -14.244   8.026  -8.456  1.00  6.34           H  
ATOM     54  HZ3 TRP A   4     -12.030   8.283  -4.784  1.00  5.45           H  
ATOM     55  HH2 TRP A   4     -12.110   8.441  -7.257  1.00  6.46           H  
ATOM     56  N   LEU A   5     -16.509   5.657  -0.583  1.00  2.30           N  
ATOM     57  CA  LEU A   5     -15.660   5.566   0.648  1.00  2.45           C  
ATOM     58  C   LEU A   5     -15.085   4.148   0.772  1.00  1.94           C  
ATOM     59  O   LEU A   5     -13.912   3.964   1.038  1.00  1.85           O  
ATOM     60  CB  LEU A   5     -16.609   5.870   1.813  1.00  3.13           C  
ATOM     61  CG  LEU A   5     -15.806   6.012   3.111  1.00  3.83           C  
ATOM     62  CD1 LEU A   5     -16.259   7.267   3.861  1.00  4.55           C  
ATOM     63  CD2 LEU A   5     -16.040   4.782   3.993  1.00  4.43           C  
ATOM     64  H   LEU A   5     -17.460   5.883  -0.504  1.00  2.56           H  
ATOM     65  HA  LEU A   5     -14.866   6.295   0.615  1.00  2.67           H  
ATOM     66  HB2 LEU A   5     -17.138   6.791   1.614  1.00  3.35           H  
ATOM     67  HB3 LEU A   5     -17.319   5.063   1.918  1.00  3.21           H  
ATOM     68  HG  LEU A   5     -14.754   6.094   2.877  1.00  3.85           H  
ATOM     69 HD11 LEU A   5     -15.614   7.430   4.712  1.00  4.77           H  
ATOM     70 HD12 LEU A   5     -17.276   7.137   4.201  1.00  4.83           H  
ATOM     71 HD13 LEU A   5     -16.205   8.120   3.201  1.00  5.01           H  
ATOM     72 HD21 LEU A   5     -15.444   4.864   4.890  1.00  4.75           H  
ATOM     73 HD22 LEU A   5     -15.756   3.891   3.452  1.00  4.73           H  
ATOM     74 HD23 LEU A   5     -17.086   4.723   4.260  1.00  4.70           H  
ATOM     75  N   ARG A   6     -15.908   3.149   0.558  1.00  1.81           N  
ATOM     76  CA  ARG A   6     -15.425   1.738   0.638  1.00  1.77           C  
ATOM     77  C   ARG A   6     -14.470   1.451  -0.528  1.00  1.36           C  
ATOM     78  O   ARG A   6     -13.509   0.720  -0.384  1.00  1.54           O  
ATOM     79  CB  ARG A   6     -16.687   0.877   0.526  1.00  2.14           C  
ATOM     80  CG  ARG A   6     -16.317  -0.602   0.668  1.00  2.89           C  
ATOM     81  CD  ARG A   6     -17.446  -1.346   1.387  1.00  3.69           C  
ATOM     82  NE  ARG A   6     -16.868  -2.675   1.734  1.00  4.39           N  
ATOM     83  CZ  ARG A   6     -17.599  -3.753   1.636  1.00  5.22           C  
ATOM     84  NH1 ARG A   6     -18.500  -4.017   2.546  1.00  5.84           N  
ATOM     85  NH2 ARG A   6     -17.427  -4.567   0.627  1.00  5.78           N  
ATOM     86  H   ARG A   6     -16.844   3.331   0.331  1.00  1.95           H  
ATOM     87  HA  ARG A   6     -14.934   1.558   1.582  1.00  2.10           H  
ATOM     88  HB2 ARG A   6     -17.380   1.153   1.309  1.00  2.35           H  
ATOM     89  HB3 ARG A   6     -17.149   1.039  -0.436  1.00  1.97           H  
ATOM     90  HG2 ARG A   6     -16.170  -1.031  -0.313  1.00  3.04           H  
ATOM     91  HG3 ARG A   6     -15.407  -0.692   1.241  1.00  3.21           H  
ATOM     92  HD2 ARG A   6     -17.735  -0.812   2.282  1.00  3.92           H  
ATOM     93  HD3 ARG A   6     -18.293  -1.471   0.730  1.00  4.01           H  
ATOM     94  HE  ARG A   6     -15.937  -2.740   2.037  1.00  4.49           H  
ATOM     95 HH11 ARG A   6     -18.629  -3.393   3.317  1.00  5.75           H  
ATOM     96 HH12 ARG A   6     -19.060  -4.843   2.474  1.00  6.60           H  
ATOM     97 HH21 ARG A   6     -16.736  -4.365  -0.067  1.00  5.64           H  
ATOM     98 HH22 ARG A   6     -17.986  -5.393   0.548  1.00  6.55           H  
ATOM     99  N   ASP A   7     -14.732   2.029  -1.679  1.00  1.21           N  
ATOM    100  CA  ASP A   7     -13.844   1.808  -2.863  1.00  1.52           C  
ATOM    101  C   ASP A   7     -12.403   2.213  -2.528  1.00  1.45           C  
ATOM    102  O   ASP A   7     -11.459   1.545  -2.906  1.00  1.73           O  
ATOM    103  CB  ASP A   7     -14.416   2.710  -3.961  1.00  1.95           C  
ATOM    104  CG  ASP A   7     -13.681   2.450  -5.277  1.00  2.65           C  
ATOM    105  OD1 ASP A   7     -14.019   1.484  -5.940  1.00  3.26           O  
ATOM    106  OD2 ASP A   7     -12.792   3.222  -5.599  1.00  3.03           O  
ATOM    107  H   ASP A   7     -15.514   2.616  -1.761  1.00  1.25           H  
ATOM    108  HA  ASP A   7     -13.883   0.777  -3.176  1.00  1.85           H  
ATOM    109  HB2 ASP A   7     -15.468   2.499  -4.088  1.00  2.04           H  
ATOM    110  HB3 ASP A   7     -14.288   3.745  -3.679  1.00  2.07           H  
ATOM    111  N   ILE A   8     -12.229   3.295  -1.808  1.00  1.39           N  
ATOM    112  CA  ILE A   8     -10.849   3.734  -1.435  1.00  1.65           C  
ATOM    113  C   ILE A   8     -10.298   2.828  -0.326  1.00  1.34           C  
ATOM    114  O   ILE A   8      -9.118   2.537  -0.288  1.00  1.41           O  
ATOM    115  CB  ILE A   8     -10.994   5.175  -0.927  1.00  2.13           C  
ATOM    116  CG1 ILE A   8     -11.610   6.056  -2.021  1.00  2.62           C  
ATOM    117  CG2 ILE A   8      -9.614   5.729  -0.554  1.00  2.58           C  
ATOM    118  CD1 ILE A   8     -12.449   7.159  -1.373  1.00  3.24           C  
ATOM    119  H   ILE A   8     -13.006   3.811  -1.506  1.00  1.41           H  
ATOM    120  HA  ILE A   8     -10.201   3.710  -2.297  1.00  1.97           H  
ATOM    121  HB  ILE A   8     -11.631   5.184  -0.054  1.00  2.16           H  
ATOM    122 HG12 ILE A   8     -10.823   6.501  -2.612  1.00  2.99           H  
ATOM    123 HG13 ILE A   8     -12.242   5.455  -2.658  1.00  2.66           H  
ATOM    124 HG21 ILE A   8      -8.854   5.223  -1.131  1.00  2.99           H  
ATOM    125 HG22 ILE A   8      -9.434   5.565   0.499  1.00  2.72           H  
ATOM    126 HG23 ILE A   8      -9.581   6.788  -0.764  1.00  2.95           H  
ATOM    127 HD11 ILE A   8     -12.834   7.815  -2.139  1.00  3.45           H  
ATOM    128 HD12 ILE A   8     -11.833   7.725  -0.690  1.00  3.63           H  
ATOM    129 HD13 ILE A   8     -13.272   6.715  -0.833  1.00  3.65           H  
ATOM    130  N   TRP A   9     -11.146   2.383   0.574  1.00  1.27           N  
ATOM    131  CA  TRP A   9     -10.678   1.494   1.686  1.00  1.47           C  
ATOM    132  C   TRP A   9      -9.972   0.253   1.121  1.00  1.34           C  
ATOM    133  O   TRP A   9      -8.854  -0.051   1.492  1.00  1.48           O  
ATOM    134  CB  TRP A   9     -11.948   1.097   2.448  1.00  1.87           C  
ATOM    135  CG  TRP A   9     -11.588   0.689   3.842  1.00  2.37           C  
ATOM    136  CD1 TRP A   9     -11.943  -0.478   4.424  1.00  2.77           C  
ATOM    137  CD2 TRP A   9     -10.813   1.423   4.835  1.00  2.84           C  
ATOM    138  NE1 TRP A   9     -11.435  -0.509   5.710  1.00  3.37           N  
ATOM    139  CE2 TRP A   9     -10.731   0.640   6.010  1.00  3.40           C  
ATOM    140  CE3 TRP A   9     -10.179   2.679   4.830  1.00  3.06           C  
ATOM    141  CZ2 TRP A   9     -10.045   1.086   7.140  1.00  3.98           C  
ATOM    142  CZ3 TRP A   9      -9.487   3.131   5.966  1.00  3.68           C  
ATOM    143  CH2 TRP A   9      -9.420   2.336   7.118  1.00  4.07           C  
ATOM    144  H   TRP A   9     -12.093   2.635   0.518  1.00  1.32           H  
ATOM    145  HA  TRP A   9     -10.014   2.035   2.340  1.00  1.73           H  
ATOM    146  HB2 TRP A   9     -12.625   1.938   2.482  1.00  2.11           H  
ATOM    147  HB3 TRP A   9     -12.427   0.271   1.943  1.00  1.87           H  
ATOM    148  HD1 TRP A   9     -12.528  -1.259   3.961  1.00  2.78           H  
ATOM    149  HE1 TRP A   9     -11.549  -1.246   6.345  1.00  3.83           H  
ATOM    150  HE3 TRP A   9     -10.224   3.300   3.948  1.00  2.91           H  
ATOM    151  HZ2 TRP A   9      -9.996   0.469   8.025  1.00  4.45           H  
ATOM    152  HZ3 TRP A   9      -9.004   4.097   5.951  1.00  3.97           H  
ATOM    153  HH2 TRP A   9      -8.887   2.689   7.988  1.00  4.57           H  
ATOM    154  N   ASP A  10     -10.609  -0.455   0.218  1.00  1.36           N  
ATOM    155  CA  ASP A  10      -9.962  -1.666  -0.382  1.00  1.77           C  
ATOM    156  C   ASP A  10      -8.681  -1.257  -1.122  1.00  1.73           C  
ATOM    157  O   ASP A  10      -7.672  -1.934  -1.053  1.00  1.96           O  
ATOM    158  CB  ASP A  10     -10.993  -2.239  -1.361  1.00  2.12           C  
ATOM    159  CG  ASP A  10     -10.654  -3.702  -1.662  1.00  2.79           C  
ATOM    160  OD1 ASP A  10     -10.919  -4.537  -0.812  1.00  3.24           O  
ATOM    161  OD2 ASP A  10     -10.138  -3.962  -2.737  1.00  3.24           O  
ATOM    162  H   ASP A  10     -11.506  -0.184  -0.073  1.00  1.29           H  
ATOM    163  HA  ASP A  10      -9.738  -2.391   0.385  1.00  2.06           H  
ATOM    164  HB2 ASP A  10     -11.979  -2.180  -0.922  1.00  2.12           H  
ATOM    165  HB3 ASP A  10     -10.973  -1.671  -2.279  1.00  2.14           H  
ATOM    166  N   TRP A  11      -8.716  -0.142  -1.816  1.00  1.63           N  
ATOM    167  CA  TRP A  11      -7.503   0.335  -2.550  1.00  1.91           C  
ATOM    168  C   TRP A  11      -6.350   0.559  -1.561  1.00  1.68           C  
ATOM    169  O   TRP A  11      -5.218   0.195  -1.822  1.00  1.87           O  
ATOM    170  CB  TRP A  11      -7.928   1.655  -3.204  1.00  2.18           C  
ATOM    171  CG  TRP A  11      -6.798   2.204  -4.015  1.00  2.67           C  
ATOM    172  CD1 TRP A  11      -6.538   1.885  -5.303  1.00  3.21           C  
ATOM    173  CD2 TRP A  11      -5.774   3.160  -3.614  1.00  2.83           C  
ATOM    174  NE1 TRP A  11      -5.420   2.584  -5.719  1.00  3.59           N  
ATOM    175  CE2 TRP A  11      -4.913   3.384  -4.713  1.00  3.40           C  
ATOM    176  CE3 TRP A  11      -5.513   3.847  -2.415  1.00  2.73           C  
ATOM    177  CZ2 TRP A  11      -3.830   4.260  -4.627  1.00  3.75           C  
ATOM    178  CZ3 TRP A  11      -4.424   4.729  -2.324  1.00  3.20           C  
ATOM    179  CH2 TRP A  11      -3.585   4.935  -3.428  1.00  3.65           C  
ATOM    180  H   TRP A  11      -9.542   0.387  -1.844  1.00  1.51           H  
ATOM    181  HA  TRP A  11      -7.217  -0.378  -3.308  1.00  2.28           H  
ATOM    182  HB2 TRP A  11      -8.779   1.481  -3.846  1.00  2.39           H  
ATOM    183  HB3 TRP A  11      -8.197   2.365  -2.436  1.00  1.96           H  
ATOM    184  HD1 TRP A  11      -7.110   1.196  -5.908  1.00  3.41           H  
ATOM    185  HE1 TRP A  11      -5.021   2.533  -6.613  1.00  4.02           H  
ATOM    186  HE3 TRP A  11      -6.154   3.695  -1.560  1.00  2.40           H  
ATOM    187  HZ2 TRP A  11      -3.186   4.415  -5.480  1.00  4.18           H  
ATOM    188  HZ3 TRP A  11      -4.233   5.251  -1.399  1.00  3.30           H  
ATOM    189  HH2 TRP A  11      -2.749   5.614  -3.351  1.00  4.03           H  
ATOM    190  N   ILE A  12      -6.636   1.145  -0.419  1.00  1.43           N  
ATOM    191  CA  ILE A  12      -5.564   1.382   0.600  1.00  1.52           C  
ATOM    192  C   ILE A  12      -5.016   0.037   1.097  1.00  1.50           C  
ATOM    193  O   ILE A  12      -3.842  -0.090   1.385  1.00  1.63           O  
ATOM    194  CB  ILE A  12      -6.242   2.149   1.744  1.00  1.71           C  
ATOM    195  CG1 ILE A  12      -6.639   3.549   1.260  1.00  2.04           C  
ATOM    196  CG2 ILE A  12      -5.275   2.283   2.926  1.00  2.08           C  
ATOM    197  CD1 ILE A  12      -7.797   4.075   2.111  1.00  2.34           C  
ATOM    198  H   ILE A  12      -7.559   1.420  -0.230  1.00  1.34           H  
ATOM    199  HA  ILE A  12      -4.769   1.976   0.176  1.00  1.76           H  
ATOM    200  HB  ILE A  12      -7.124   1.613   2.062  1.00  1.60           H  
ATOM    201 HG12 ILE A  12      -5.793   4.214   1.351  1.00  2.39           H  
ATOM    202 HG13 ILE A  12      -6.948   3.499   0.227  1.00  1.92           H  
ATOM    203 HG21 ILE A  12      -5.590   3.099   3.558  1.00  2.48           H  
ATOM    204 HG22 ILE A  12      -4.279   2.479   2.556  1.00  2.38           H  
ATOM    205 HG23 ILE A  12      -5.273   1.366   3.495  1.00  2.36           H  
ATOM    206 HD11 ILE A  12      -8.699   3.535   1.864  1.00  2.57           H  
ATOM    207 HD12 ILE A  12      -7.940   5.127   1.913  1.00  2.72           H  
ATOM    208 HD13 ILE A  12      -7.568   3.934   3.157  1.00  2.63           H  
ATOM    209  N   CYS A  13      -5.858  -0.970   1.187  1.00  1.56           N  
ATOM    210  CA  CYS A  13      -5.383  -2.312   1.650  1.00  1.93           C  
ATOM    211  C   CYS A  13      -4.261  -2.809   0.729  1.00  2.08           C  
ATOM    212  O   CYS A  13      -3.267  -3.347   1.181  1.00  2.30           O  
ATOM    213  CB  CYS A  13      -6.606  -3.230   1.556  1.00  2.26           C  
ATOM    214  SG  CYS A  13      -6.417  -4.609   2.713  1.00  2.92           S  
ATOM    215  H   CYS A  13      -6.800  -0.843   0.941  1.00  1.49           H  
ATOM    216  HA  CYS A  13      -5.038  -2.258   2.671  1.00  2.06           H  
ATOM    217  HB2 CYS A  13      -7.497  -2.672   1.805  1.00  2.21           H  
ATOM    218  HB3 CYS A  13      -6.692  -3.614   0.550  1.00  2.29           H  
ATOM    219  HG  CYS A  13      -5.808  -5.241   2.324  1.00  3.17           H  
ATOM    220  N   GLU A  14      -4.409  -2.611  -0.560  1.00  2.13           N  
ATOM    221  CA  GLU A  14      -3.348  -3.047  -1.519  1.00  2.55           C  
ATOM    222  C   GLU A  14      -2.118  -2.144  -1.369  1.00  2.42           C  
ATOM    223  O   GLU A  14      -0.995  -2.612  -1.345  1.00  2.69           O  
ATOM    224  CB  GLU A  14      -3.967  -2.888  -2.911  1.00  2.79           C  
ATOM    225  CG  GLU A  14      -5.079  -3.924  -3.101  1.00  3.42           C  
ATOM    226  CD  GLU A  14      -5.986  -3.501  -4.261  1.00  4.06           C  
ATOM    227  OE1 GLU A  14      -6.759  -2.575  -4.079  1.00  4.62           O  
ATOM    228  OE2 GLU A  14      -5.892  -4.113  -5.311  1.00  4.44           O  
ATOM    229  H   GLU A  14      -5.215  -2.161  -0.895  1.00  1.98           H  
ATOM    230  HA  GLU A  14      -3.083  -4.078  -1.346  1.00  2.87           H  
ATOM    231  HB2 GLU A  14      -4.379  -1.894  -3.010  1.00  2.50           H  
ATOM    232  HB3 GLU A  14      -3.206  -3.038  -3.663  1.00  2.95           H  
ATOM    233  HG2 GLU A  14      -4.640  -4.887  -3.319  1.00  3.61           H  
ATOM    234  HG3 GLU A  14      -5.666  -3.993  -2.197  1.00  3.69           H  
ATOM    235  N   VAL A  15      -2.326  -0.852  -1.252  1.00  2.13           N  
ATOM    236  CA  VAL A  15      -1.172   0.088  -1.086  1.00  2.19           C  
ATOM    237  C   VAL A  15      -0.461  -0.197   0.245  1.00  1.95           C  
ATOM    238  O   VAL A  15       0.746  -0.094   0.341  1.00  2.03           O  
ATOM    239  CB  VAL A  15      -1.783   1.496  -1.091  1.00  2.25           C  
ATOM    240  CG1 VAL A  15      -0.697   2.532  -0.781  1.00  2.57           C  
ATOM    241  CG2 VAL A  15      -2.379   1.791  -2.471  1.00  2.60           C  
ATOM    242  H   VAL A  15      -3.244  -0.502  -1.263  1.00  1.96           H  
ATOM    243  HA  VAL A  15      -0.483  -0.019  -1.909  1.00  2.53           H  
ATOM    244  HB  VAL A  15      -2.559   1.554  -0.341  1.00  1.99           H  
ATOM    245 HG11 VAL A  15      -0.613   2.656   0.289  1.00  2.81           H  
ATOM    246 HG12 VAL A  15      -0.960   3.476  -1.233  1.00  2.81           H  
ATOM    247 HG13 VAL A  15       0.248   2.193  -1.179  1.00  2.90           H  
ATOM    248 HG21 VAL A  15      -1.985   2.725  -2.843  1.00  2.87           H  
ATOM    249 HG22 VAL A  15      -3.454   1.861  -2.392  1.00  2.94           H  
ATOM    250 HG23 VAL A  15      -2.120   0.995  -3.154  1.00  2.80           H  
ATOM    251  N   LEU A  16      -1.204  -0.568   1.265  1.00  1.79           N  
ATOM    252  CA  LEU A  16      -0.577  -0.880   2.588  1.00  1.86           C  
ATOM    253  C   LEU A  16       0.392  -2.058   2.429  1.00  2.04           C  
ATOM    254  O   LEU A  16       1.538  -1.986   2.831  1.00  2.08           O  
ATOM    255  CB  LEU A  16      -1.745  -1.254   3.510  1.00  2.02           C  
ATOM    256  CG  LEU A  16      -1.226  -1.514   4.929  1.00  2.36           C  
ATOM    257  CD1 LEU A  16      -2.020  -0.673   5.930  1.00  2.73           C  
ATOM    258  CD2 LEU A  16      -1.392  -2.998   5.269  1.00  2.97           C  
ATOM    259  H   LEU A  16      -2.177  -0.652   1.155  1.00  1.75           H  
ATOM    260  HA  LEU A  16      -0.061  -0.015   2.974  1.00  1.86           H  
ATOM    261  HB2 LEU A  16      -2.459  -0.442   3.531  1.00  1.97           H  
ATOM    262  HB3 LEU A  16      -2.226  -2.145   3.135  1.00  2.14           H  
ATOM    263  HG  LEU A  16      -0.180  -1.245   4.985  1.00  2.53           H  
ATOM    264 HD11 LEU A  16      -1.997   0.364   5.629  1.00  2.96           H  
ATOM    265 HD12 LEU A  16      -1.581  -0.772   6.912  1.00  3.09           H  
ATOM    266 HD13 LEU A  16      -3.044  -1.017   5.958  1.00  3.11           H  
ATOM    267 HD21 LEU A  16      -0.901  -3.597   4.517  1.00  3.36           H  
ATOM    268 HD22 LEU A  16      -2.443  -3.245   5.298  1.00  3.29           H  
ATOM    269 HD23 LEU A  16      -0.949  -3.197   6.234  1.00  3.33           H  
ATOM    270  N   SER A  17      -0.059  -3.132   1.822  1.00  2.26           N  
ATOM    271  CA  SER A  17       0.839  -4.309   1.608  1.00  2.62           C  
ATOM    272  C   SER A  17       1.961  -3.918   0.640  1.00  2.51           C  
ATOM    273  O   SER A  17       3.105  -4.291   0.818  1.00  2.59           O  
ATOM    274  CB  SER A  17      -0.048  -5.394   0.994  1.00  3.04           C  
ATOM    275  OG  SER A  17      -0.955  -5.875   1.978  1.00  3.53           O  
ATOM    276  H   SER A  17      -0.983  -3.155   1.492  1.00  2.26           H  
ATOM    277  HA  SER A  17       1.249  -4.649   2.547  1.00  2.77           H  
ATOM    278  HB2 SER A  17      -0.605  -4.983   0.168  1.00  3.35           H  
ATOM    279  HB3 SER A  17       0.574  -6.204   0.636  1.00  3.18           H  
ATOM    280  HG  SER A  17      -1.793  -5.421   1.857  1.00  3.89           H  
ATOM    281  N   ASP A  18       1.635  -3.149  -0.374  1.00  2.42           N  
ATOM    282  CA  ASP A  18       2.673  -2.704  -1.350  1.00  2.48           C  
ATOM    283  C   ASP A  18       3.721  -1.853  -0.629  1.00  2.08           C  
ATOM    284  O   ASP A  18       4.906  -2.056  -0.792  1.00  2.05           O  
ATOM    285  CB  ASP A  18       1.921  -1.863  -2.387  1.00  2.70           C  
ATOM    286  CG  ASP A  18       2.910  -1.309  -3.418  1.00  2.90           C  
ATOM    287  OD1 ASP A  18       3.563  -0.321  -3.118  1.00  3.14           O  
ATOM    288  OD2 ASP A  18       2.997  -1.882  -4.491  1.00  3.22           O  
ATOM    289  H   ASP A  18       0.706  -2.853  -0.483  1.00  2.40           H  
ATOM    290  HA  ASP A  18       3.136  -3.554  -1.826  1.00  2.76           H  
ATOM    291  HB2 ASP A  18       1.188  -2.480  -2.887  1.00  3.03           H  
ATOM    292  HB3 ASP A  18       1.423  -1.043  -1.893  1.00  2.52           H  
ATOM    293  N   PHE A  19       3.286  -0.907   0.174  1.00  1.86           N  
ATOM    294  CA  PHE A  19       4.250  -0.038   0.921  1.00  1.67           C  
ATOM    295  C   PHE A  19       5.238  -0.905   1.709  1.00  1.56           C  
ATOM    296  O   PHE A  19       6.424  -0.638   1.732  1.00  1.47           O  
ATOM    297  CB  PHE A  19       3.392   0.800   1.877  1.00  1.77           C  
ATOM    298  CG  PHE A  19       3.430   2.250   1.455  1.00  2.01           C  
ATOM    299  CD1 PHE A  19       2.675   2.681   0.356  1.00  2.58           C  
ATOM    300  CD2 PHE A  19       4.219   3.165   2.163  1.00  2.39           C  
ATOM    301  CE1 PHE A  19       2.711   4.026  -0.034  1.00  2.93           C  
ATOM    302  CE2 PHE A  19       4.254   4.509   1.773  1.00  2.78           C  
ATOM    303  CZ  PHE A  19       3.500   4.939   0.675  1.00  2.83           C  
ATOM    304  H   PHE A  19       2.319  -0.774   0.287  1.00  1.92           H  
ATOM    305  HA  PHE A  19       4.780   0.608   0.238  1.00  1.77           H  
ATOM    306  HB2 PHE A  19       2.372   0.444   1.854  1.00  1.85           H  
ATOM    307  HB3 PHE A  19       3.780   0.709   2.881  1.00  1.79           H  
ATOM    308  HD1 PHE A  19       2.066   1.976  -0.191  1.00  3.10           H  
ATOM    309  HD2 PHE A  19       4.801   2.833   3.010  1.00  2.81           H  
ATOM    310  HE1 PHE A  19       2.129   4.358  -0.881  1.00  3.60           H  
ATOM    311  HE2 PHE A  19       4.863   5.214   2.320  1.00  3.39           H  
ATOM    312  HZ  PHE A  19       3.527   5.976   0.375  1.00  3.21           H  
ATOM    313  N   LYS A  20       4.757  -1.950   2.342  1.00  1.73           N  
ATOM    314  CA  LYS A  20       5.668  -2.849   3.117  1.00  1.90           C  
ATOM    315  C   LYS A  20       6.716  -3.461   2.177  1.00  1.85           C  
ATOM    316  O   LYS A  20       7.894  -3.483   2.478  1.00  1.79           O  
ATOM    317  CB  LYS A  20       4.758  -3.936   3.696  1.00  2.35           C  
ATOM    318  CG  LYS A  20       5.539  -4.778   4.707  1.00  2.69           C  
ATOM    319  CD  LYS A  20       4.576  -5.706   5.450  1.00  3.34           C  
ATOM    320  CE  LYS A  20       5.268  -6.272   6.694  1.00  4.12           C  
ATOM    321  NZ  LYS A  20       4.311  -7.270   7.253  1.00  4.62           N  
ATOM    322  H   LYS A  20       3.797  -2.147   2.298  1.00  1.86           H  
ATOM    323  HA  LYS A  20       6.148  -2.304   3.915  1.00  1.90           H  
ATOM    324  HB2 LYS A  20       3.914  -3.474   4.187  1.00  2.54           H  
ATOM    325  HB3 LYS A  20       4.405  -4.572   2.897  1.00  2.43           H  
ATOM    326  HG2 LYS A  20       6.280  -5.369   4.186  1.00  2.70           H  
ATOM    327  HG3 LYS A  20       6.030  -4.128   5.415  1.00  3.00           H  
ATOM    328  HD2 LYS A  20       3.698  -5.149   5.748  1.00  3.55           H  
ATOM    329  HD3 LYS A  20       4.285  -6.517   4.801  1.00  3.63           H  
ATOM    330  HE2 LYS A  20       6.198  -6.753   6.418  1.00  4.44           H  
ATOM    331  HE3 LYS A  20       5.449  -5.489   7.414  1.00  4.46           H  
ATOM    332  HZ1 LYS A  20       3.432  -6.791   7.534  1.00  4.80           H  
ATOM    333  HZ2 LYS A  20       4.737  -7.728   8.085  1.00  4.92           H  
ATOM    334  HZ3 LYS A  20       4.097  -7.990   6.533  1.00  4.92           H  
ATOM    335  N   THR A  21       6.291  -3.943   1.033  1.00  2.02           N  
ATOM    336  CA  THR A  21       7.256  -4.541   0.058  1.00  2.19           C  
ATOM    337  C   THR A  21       8.100  -3.430  -0.584  1.00  1.93           C  
ATOM    338  O   THR A  21       9.282  -3.595  -0.813  1.00  1.92           O  
ATOM    339  CB  THR A  21       6.389  -5.239  -0.997  1.00  2.69           C  
ATOM    340  OG1 THR A  21       5.390  -6.021  -0.352  1.00  2.96           O  
ATOM    341  CG2 THR A  21       7.262  -6.148  -1.864  1.00  3.31           C  
ATOM    342  H   THR A  21       5.336  -3.902   0.811  1.00  2.12           H  
ATOM    343  HA  THR A  21       7.892  -5.260   0.550  1.00  2.29           H  
ATOM    344  HB  THR A  21       5.917  -4.497  -1.624  1.00  2.77           H  
ATOM    345  HG1 THR A  21       4.530  -5.685  -0.618  1.00  3.12           H  
ATOM    346 HG21 THR A  21       8.070  -5.572  -2.291  1.00  3.62           H  
ATOM    347 HG22 THR A  21       6.664  -6.571  -2.658  1.00  3.54           H  
ATOM    348 HG23 THR A  21       7.669  -6.943  -1.257  1.00  3.74           H  
ATOM    349  N   TRP A  22       7.494  -2.299  -0.865  1.00  1.84           N  
ATOM    350  CA  TRP A  22       8.244  -1.162  -1.483  1.00  1.89           C  
ATOM    351  C   TRP A  22       9.395  -0.733  -0.565  1.00  1.54           C  
ATOM    352  O   TRP A  22      10.498  -0.489  -1.017  1.00  1.64           O  
ATOM    353  CB  TRP A  22       7.215  -0.035  -1.622  1.00  2.03           C  
ATOM    354  CG  TRP A  22       7.710   0.977  -2.603  1.00  2.52           C  
ATOM    355  CD1 TRP A  22       7.425   0.981  -3.925  1.00  3.01           C  
ATOM    356  CD2 TRP A  22       8.568   2.131  -2.365  1.00  2.70           C  
ATOM    357  NE1 TRP A  22       8.054   2.063  -4.514  1.00  3.43           N  
ATOM    358  CE2 TRP A  22       8.770   2.802  -3.593  1.00  3.28           C  
ATOM    359  CE3 TRP A  22       9.183   2.654  -1.213  1.00  2.55           C  
ATOM    360  CZ2 TRP A  22       9.555   3.952  -3.677  1.00  3.66           C  
ATOM    361  CZ3 TRP A  22       9.974   3.812  -1.294  1.00  2.99           C  
ATOM    362  CH2 TRP A  22      10.159   4.459  -2.524  1.00  3.52           C  
ATOM    363  H   TRP A  22       6.537  -2.197  -0.662  1.00  1.87           H  
ATOM    364  HA  TRP A  22       8.620  -1.442  -2.454  1.00  2.22           H  
ATOM    365  HB2 TRP A  22       6.278  -0.445  -1.971  1.00  2.16           H  
ATOM    366  HB3 TRP A  22       7.066   0.436  -0.662  1.00  1.81           H  
ATOM    367  HD1 TRP A  22       6.808   0.257  -4.437  1.00  3.13           H  
ATOM    368  HE1 TRP A  22       8.008   2.294  -5.466  1.00  3.84           H  
ATOM    369  HE3 TRP A  22       9.046   2.163  -0.261  1.00  2.18           H  
ATOM    370  HZ2 TRP A  22       9.695   4.447  -4.627  1.00  4.11           H  
ATOM    371  HZ3 TRP A  22      10.442   4.206  -0.404  1.00  3.00           H  
ATOM    372  HH2 TRP A  22      10.768   5.349  -2.580  1.00  3.88           H  
ATOM    373  N   LEU A  23       9.147  -0.654   0.722  1.00  1.28           N  
ATOM    374  CA  LEU A  23      10.229  -0.257   1.679  1.00  1.22           C  
ATOM    375  C   LEU A  23      11.337  -1.316   1.677  1.00  1.11           C  
ATOM    376  O   LEU A  23      12.510  -0.998   1.649  1.00  1.15           O  
ATOM    377  CB  LEU A  23       9.555  -0.186   3.055  1.00  1.41           C  
ATOM    378  CG  LEU A  23       9.494   1.271   3.522  1.00  1.82           C  
ATOM    379  CD1 LEU A  23       8.243   1.942   2.950  1.00  1.96           C  
ATOM    380  CD2 LEU A  23       9.439   1.313   5.052  1.00  2.56           C  
ATOM    381  H   LEU A  23       8.249  -0.866   1.059  1.00  1.29           H  
ATOM    382  HA  LEU A  23      10.631   0.708   1.412  1.00  1.42           H  
ATOM    383  HB2 LEU A  23       8.554  -0.586   2.988  1.00  1.38           H  
ATOM    384  HB3 LEU A  23      10.127  -0.765   3.764  1.00  1.53           H  
ATOM    385  HG  LEU A  23      10.373   1.796   3.177  1.00  2.26           H  
ATOM    386 HD11 LEU A  23       8.201   1.775   1.883  1.00  2.24           H  
ATOM    387 HD12 LEU A  23       8.282   3.003   3.147  1.00  2.39           H  
ATOM    388 HD13 LEU A  23       7.364   1.522   3.415  1.00  2.33           H  
ATOM    389 HD21 LEU A  23       8.562   0.785   5.396  1.00  3.05           H  
ATOM    390 HD22 LEU A  23       9.394   2.340   5.382  1.00  2.99           H  
ATOM    391 HD23 LEU A  23      10.324   0.843   5.457  1.00  2.90           H  
ATOM    392  N   LYS A  24      10.967  -2.575   1.691  1.00  1.24           N  
ATOM    393  CA  LYS A  24      11.990  -3.666   1.673  1.00  1.48           C  
ATOM    394  C   LYS A  24      12.732  -3.656   0.331  1.00  1.49           C  
ATOM    395  O   LYS A  24      13.937  -3.816   0.279  1.00  1.57           O  
ATOM    396  CB  LYS A  24      11.193  -4.962   1.841  1.00  1.92           C  
ATOM    397  CG  LYS A  24      12.146  -6.123   2.139  1.00  2.36           C  
ATOM    398  CD  LYS A  24      11.449  -7.449   1.822  1.00  3.04           C  
ATOM    399  CE  LYS A  24      11.485  -8.357   3.055  1.00  3.48           C  
ATOM    400  NZ  LYS A  24      10.489  -9.434   2.778  1.00  4.17           N  
ATOM    401  H   LYS A  24      10.013  -2.802   1.702  1.00  1.34           H  
ATOM    402  HA  LYS A  24      12.684  -3.547   2.491  1.00  1.56           H  
ATOM    403  HB2 LYS A  24      10.495  -4.851   2.659  1.00  2.06           H  
ATOM    404  HB3 LYS A  24      10.650  -5.170   0.931  1.00  2.16           H  
ATOM    405  HG2 LYS A  24      13.033  -6.026   1.528  1.00  2.56           H  
ATOM    406  HG3 LYS A  24      12.424  -6.104   3.182  1.00  2.65           H  
ATOM    407  HD2 LYS A  24      10.422  -7.257   1.544  1.00  3.46           H  
ATOM    408  HD3 LYS A  24      11.958  -7.936   1.004  1.00  3.41           H  
ATOM    409  HE2 LYS A  24      12.473  -8.779   3.180  1.00  3.57           H  
ATOM    410  HE3 LYS A  24      11.197  -7.806   3.937  1.00  3.80           H  
ATOM    411  HZ1 LYS A  24      10.594 -10.192   3.482  1.00  4.55           H  
ATOM    412  HZ2 LYS A  24      10.650  -9.822   1.825  1.00  4.49           H  
ATOM    413  HZ3 LYS A  24       9.528  -9.043   2.835  1.00  4.39           H  
ATOM    414  N   ALA A  25      12.017  -3.457  -0.752  1.00  1.61           N  
ATOM    415  CA  ALA A  25      12.671  -3.422  -2.098  1.00  1.94           C  
ATOM    416  C   ALA A  25      13.640  -2.235  -2.183  1.00  1.81           C  
ATOM    417  O   ALA A  25      14.724  -2.351  -2.720  1.00  2.05           O  
ATOM    418  CB  ALA A  25      11.524  -3.253  -3.098  1.00  2.33           C  
ATOM    419  H   ALA A  25      11.046  -3.323  -0.678  1.00  1.61           H  
ATOM    420  HA  ALA A  25      13.192  -4.347  -2.286  1.00  2.14           H  
ATOM    421  HB1 ALA A  25      11.066  -4.213  -3.285  1.00  2.73           H  
ATOM    422  HB2 ALA A  25      11.910  -2.852  -4.023  1.00  2.59           H  
ATOM    423  HB3 ALA A  25      10.788  -2.575  -2.691  1.00  2.58           H  
ATOM    424  N   LYS A  26      13.259  -1.098  -1.649  1.00  1.59           N  
ATOM    425  CA  LYS A  26      14.162   0.094  -1.689  1.00  1.77           C  
ATOM    426  C   LYS A  26      15.329  -0.093  -0.710  1.00  1.55           C  
ATOM    427  O   LYS A  26      16.453   0.274  -0.999  1.00  1.77           O  
ATOM    428  CB  LYS A  26      13.288   1.278  -1.263  1.00  1.99           C  
ATOM    429  CG  LYS A  26      13.996   2.590  -1.613  1.00  2.64           C  
ATOM    430  CD  LYS A  26      13.606   3.669  -0.600  1.00  3.18           C  
ATOM    431  CE  LYS A  26      14.265   4.998  -0.985  1.00  3.83           C  
ATOM    432  NZ  LYS A  26      13.303   5.658  -1.914  1.00  4.48           N  
ATOM    433  H   LYS A  26      12.380  -1.032  -1.215  1.00  1.44           H  
ATOM    434  HA  LYS A  26      14.532   0.250  -2.690  1.00  2.11           H  
ATOM    435  HB2 LYS A  26      12.340   1.230  -1.780  1.00  2.10           H  
ATOM    436  HB3 LYS A  26      13.119   1.235  -0.197  1.00  2.05           H  
ATOM    437  HG2 LYS A  26      15.066   2.440  -1.586  1.00  3.02           H  
ATOM    438  HG3 LYS A  26      13.701   2.904  -2.603  1.00  2.99           H  
ATOM    439  HD2 LYS A  26      12.532   3.786  -0.595  1.00  3.44           H  
ATOM    440  HD3 LYS A  26      13.940   3.377   0.385  1.00  3.43           H  
ATOM    441  HE2 LYS A  26      14.419   5.608  -0.105  1.00  4.12           H  
ATOM    442  HE3 LYS A  26      15.203   4.821  -1.489  1.00  4.06           H  
ATOM    443  HZ1 LYS A  26      13.005   4.982  -2.647  1.00  4.71           H  
ATOM    444  HZ2 LYS A  26      13.763   6.477  -2.364  1.00  4.81           H  
ATOM    445  HZ3 LYS A  26      12.469   5.979  -1.382  1.00  4.79           H  
ATOM    446  N   LEU A  27      15.070  -0.664   0.444  1.00  1.37           N  
ATOM    447  CA  LEU A  27      16.163  -0.879   1.446  1.00  1.54           C  
ATOM    448  C   LEU A  27      17.145  -1.952   0.953  1.00  1.45           C  
ATOM    449  O   LEU A  27      18.327  -1.889   1.235  1.00  2.03           O  
ATOM    450  CB  LEU A  27      15.454  -1.346   2.722  1.00  1.91           C  
ATOM    451  CG  LEU A  27      16.416  -1.250   3.911  1.00  2.43           C  
ATOM    452  CD1 LEU A  27      15.828  -0.319   4.974  1.00  3.02           C  
ATOM    453  CD2 LEU A  27      16.624  -2.643   4.512  1.00  3.04           C  
ATOM    454  H   LEU A  27      14.156  -0.953   0.651  1.00  1.33           H  
ATOM    455  HA  LEU A  27      16.684   0.046   1.635  1.00  1.86           H  
ATOM    456  HB2 LEU A  27      14.592  -0.718   2.904  1.00  2.21           H  
ATOM    457  HB3 LEU A  27      15.133  -2.370   2.601  1.00  2.09           H  
ATOM    458  HG  LEU A  27      17.365  -0.856   3.575  1.00  2.72           H  
ATOM    459 HD11 LEU A  27      15.373   0.534   4.494  1.00  3.48           H  
ATOM    460 HD12 LEU A  27      16.616   0.017   5.633  1.00  3.38           H  
ATOM    461 HD13 LEU A  27      15.083  -0.851   5.547  1.00  3.31           H  
ATOM    462 HD21 LEU A  27      17.300  -2.575   5.351  1.00  3.39           H  
ATOM    463 HD22 LEU A  27      17.043  -3.299   3.764  1.00  3.47           H  
ATOM    464 HD23 LEU A  27      15.675  -3.036   4.846  1.00  3.35           H  
ATOM    465  N   MET A  28      16.667  -2.934   0.224  1.00  1.60           N  
ATOM    466  CA  MET A  28      17.576  -4.009  -0.285  1.00  1.83           C  
ATOM    467  C   MET A  28      18.628  -3.412  -1.232  1.00  2.27           C  
ATOM    468  O   MET A  28      18.285  -2.821  -2.238  1.00  2.81           O  
ATOM    469  CB  MET A  28      16.667  -4.984  -1.041  1.00  2.07           C  
ATOM    470  CG  MET A  28      16.211  -6.098  -0.095  1.00  2.74           C  
ATOM    471  SD  MET A  28      14.880  -7.045  -0.877  1.00  3.59           S  
ATOM    472  CE  MET A  28      15.713  -8.652  -0.880  1.00  4.40           C  
ATOM    473  H   MET A  28      15.709  -2.963   0.013  1.00  2.07           H  
ATOM    474  HA  MET A  28      18.052  -4.515   0.539  1.00  2.25           H  
ATOM    475  HB2 MET A  28      15.804  -4.455  -1.417  1.00  2.26           H  
ATOM    476  HB3 MET A  28      17.211  -5.418  -1.866  1.00  2.28           H  
ATOM    477  HG2 MET A  28      17.043  -6.752   0.118  1.00  2.98           H  
ATOM    478  HG3 MET A  28      15.850  -5.662   0.825  1.00  3.16           H  
ATOM    479  HE1 MET A  28      15.078  -9.384  -1.360  1.00  4.63           H  
ATOM    480  HE2 MET A  28      15.909  -8.959   0.134  1.00  4.74           H  
ATOM    481  HE3 MET A  28      16.648  -8.570  -1.417  1.00  4.82           H  
ATOM    482  N   PRO A  29      19.881  -3.586  -0.873  1.00  2.76           N  
ATOM    483  CA  PRO A  29      20.995  -3.056  -1.703  1.00  3.60           C  
ATOM    484  C   PRO A  29      21.206  -3.927  -2.951  1.00  3.94           C  
ATOM    485  O   PRO A  29      20.495  -4.890  -3.174  1.00  3.82           O  
ATOM    486  CB  PRO A  29      22.204  -3.139  -0.773  1.00  4.43           C  
ATOM    487  CG  PRO A  29      21.873  -4.220   0.208  1.00  4.33           C  
ATOM    488  CD  PRO A  29      20.371  -4.281   0.326  1.00  3.27           C  
ATOM    489  HA  PRO A  29      20.811  -2.030  -1.979  1.00  3.90           H  
ATOM    490  HB2 PRO A  29      23.092  -3.397  -1.335  1.00  5.02           H  
ATOM    491  HB3 PRO A  29      22.344  -2.203  -0.256  1.00  4.86           H  
ATOM    492  HG2 PRO A  29      22.255  -5.167  -0.149  1.00  4.67           H  
ATOM    493  HG3 PRO A  29      22.303  -3.988   1.170  1.00  5.00           H  
ATOM    494  HD2 PRO A  29      20.036  -5.309   0.334  1.00  3.26           H  
ATOM    495  HD3 PRO A  29      20.041  -3.766   1.214  1.00  3.43           H  
ATOM    496  N   GLN A  30      22.180  -3.595  -3.763  1.00  4.80           N  
ATOM    497  CA  GLN A  30      22.442  -4.403  -4.995  1.00  5.53           C  
ATOM    498  C   GLN A  30      22.987  -5.786  -4.612  1.00  6.19           C  
ATOM    499  O   GLN A  30      24.074  -5.908  -4.079  1.00  6.55           O  
ATOM    500  CB  GLN A  30      23.487  -3.609  -5.786  1.00  6.15           C  
ATOM    501  CG  GLN A  30      23.443  -4.026  -7.260  1.00  6.59           C  
ATOM    502  CD  GLN A  30      24.663  -4.892  -7.585  1.00  7.24           C  
ATOM    503  OE1 GLN A  30      25.718  -4.379  -7.901  1.00  7.45           O  
ATOM    504  NE2 GLN A  30      24.565  -6.192  -7.522  1.00  7.87           N  
ATOM    505  H   GLN A  30      22.741  -2.817  -3.560  1.00  5.16           H  
ATOM    506  HA  GLN A  30      21.538  -4.504  -5.576  1.00  5.56           H  
ATOM    507  HB2 GLN A  30      23.274  -2.553  -5.704  1.00  6.24           H  
ATOM    508  HB3 GLN A  30      24.470  -3.810  -5.386  1.00  6.58           H  
ATOM    509  HG2 GLN A  30      22.540  -4.588  -7.449  1.00  6.72           H  
ATOM    510  HG3 GLN A  30      23.455  -3.144  -7.883  1.00  6.68           H  
ATOM    511 HE21 GLN A  30      23.715  -6.609  -7.267  1.00  7.93           H  
ATOM    512 HE22 GLN A  30      25.341  -6.752  -7.730  1.00  8.44           H  
ATOM    513  N   LEU A  31      22.233  -6.823  -4.877  1.00  6.71           N  
ATOM    514  CA  LEU A  31      22.693  -8.203  -4.530  1.00  7.68           C  
ATOM    515  C   LEU A  31      22.479  -9.152  -5.718  1.00  8.23           C  
ATOM    516  O   LEU A  31      21.463  -9.024  -6.383  1.00  8.57           O  
ATOM    517  CB  LEU A  31      21.824  -8.623  -3.341  1.00  8.21           C  
ATOM    518  CG  LEU A  31      22.499  -9.775  -2.589  1.00  8.76           C  
ATOM    519  CD1 LEU A  31      22.364  -9.550  -1.081  1.00  9.02           C  
ATOM    520  CD2 LEU A  31      21.825 -11.097  -2.968  1.00  9.51           C  
ATOM    521  OXT LEU A  31      23.336  -9.993  -5.939  1.00  8.57           O  
ATOM    522  H   LEU A  31      21.360  -6.695  -5.304  1.00  6.68           H  
ATOM    523  HA  LEU A  31      23.732  -8.192  -4.241  1.00  7.90           H  
ATOM    524  HB2 LEU A  31      21.698  -7.781  -2.674  1.00  8.06           H  
ATOM    525  HB3 LEU A  31      20.857  -8.945  -3.698  1.00  8.64           H  
ATOM    526  HG  LEU A  31      23.546  -9.813  -2.854  1.00  8.75           H  
ATOM    527 HD11 LEU A  31      23.012  -8.741  -0.778  1.00  9.16           H  
ATOM    528 HD12 LEU A  31      22.645 -10.452  -0.556  1.00  9.16           H  
ATOM    529 HD13 LEU A  31      21.341  -9.300  -0.844  1.00  9.20           H  
ATOM    530 HD21 LEU A  31      22.059 -11.338  -3.995  1.00  9.69           H  
ATOM    531 HD22 LEU A  31      20.755 -11.001  -2.856  1.00  9.77           H  
ATOM    532 HD23 LEU A  31      22.186 -11.883  -2.322  1.00  9.83           H  
TER     533      LEU A  31                                                      
MASTER      118    0    0    1    0    0    0    6  266    1    0    3          
END