HEADER    VIRAL PROTEIN                           20-MAR-00   1EMZ              
TITLE     SOLUTION STRUCTURE OF FRAGMENT (350-370) OF THE TRANSMEMBRANE DOMAIN  
TITLE    2 OF HEPATITIS C ENVELOPE GLYCOPROTEIN E1                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN E1;                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: TRANSMEMBRANE DOMAIN (RESIDUES 350-370);                   
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE 
SOURCE   4 OF THIS PEPTIDE IS NATURALLY FOUND IN HEPATITIS C VIRUS.             
KEYWDS    TRANSMEMBRANE DOMAIN, ENVELOPE PROTEIN E1, HEPATITIS C VIRUS, VIRAL   
KEYWDS   2 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.OP DE BEECK,R.MONTSERRET,S.DUVET,L.COCQUEREL,R.CACAN,B.BARBEROT,    
AUTHOR   2 M.LE MAIRE,F.PENIN,J.DUBUISSON                                       
REVDAT   4   16-FEB-22 1EMZ    1       REMARK                                   
REVDAT   3   24-FEB-09 1EMZ    1       VERSN                                    
REVDAT   2   29-NOV-00 1EMZ    1       JRNL                                     
REVDAT   1   05-APR-00 1EMZ    0                                                
JRNL        AUTH   A.OP DE BEECK,R.MONTSERRET,S.DUVET,L.COCQUEREL,R.CACAN,      
JRNL        AUTH 2 B.BARBEROT,M.LE MAIRE,F.PENIN,J.DUBUISSON                    
JRNL        TITL   THE TRANSMEMBRANE DOMAINS OF HEPATITIS C VIRUS ENVELOPE      
JRNL        TITL 2 GLYCOPROTEINS E1 AND E2 PLAY A MAJOR ROLE IN                 
JRNL        TITL 3 HETERODIMERIZATION.                                          
JRNL        REF    J.BIOL.CHEM.                  V. 275 31428 2000              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   10807921                                                     
JRNL        DOI    10.1074/JBC.M003003200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 6.1, X-PLOR 3.1                                 
REMARK   3   AUTHORS     : VARIAN INC. (VNMR), BRUNGER A.T. (X-PLOR)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 337 NOE         
REMARK   3  DERIVED DISTANCE CONSTRAINTS                                        
REMARK   4                                                                      
REMARK   4 1EMZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-MAR-00.                  
REMARK 100 THE DEPOSITION ID IS D_1000010735.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 5.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 4 MM E1(350-370), 50% H2O, 50%     
REMARK 210                                   D2 TRIFLUOROETHANOL (V/V)          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY; TOCSY; 2D NOESY          
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                 : X-PLOR 3.1                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING, MOLECULAR DYNAMIC,      
REMARK 210                                   ENERGY MINIMIZATION                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : BACK CALCULATED DATA AGREE WITH    
REMARK 210                                   EXPERIMENTAL NOESY SPECTRUM,       
REMARK 210                                   STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS,STRUCTURES    
REMARK 210                                   WITH THE LOWEST ENERGY             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: SODIUM 2,2 DIMETHYL-2-SILAPENTANE-5-SULFONATE (DSS) IN THE   
REMARK 210  INTERNAL NMR REFERENCE                                              
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            
DBREF  1EMZ A    1    21  UNP    Q9Q3N3   Q9Q3N3_9HEPC   350    370             
SEQRES   1 A   21  GLY ALA HIS TRP GLY VAL LEU ALA GLY ILE ALA TYR PHE          
SEQRES   2 A   21  SER MET VAL GLY ASN TRP ALA LYS                              
HELIX    1   1 HIS A    3  LYS A   21  1                                  19    
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   GLY A   1      17.218   4.925   2.874  1.00  0.00           N  
ATOM      2  CA  GLY A   1      16.060   5.494   3.625  1.00  0.00           C  
ATOM      3  C   GLY A   1      14.874   4.525   3.569  1.00  0.00           C  
ATOM      4  O   GLY A   1      14.948   3.443   4.119  1.00  0.00           O  
ATOM      5  H1  GLY A   1      18.074   5.477   3.085  1.00  0.00           H  
ATOM      6  H2  GLY A   1      17.022   4.965   1.852  1.00  0.00           H  
ATOM      7  H3  GLY A   1      17.373   3.937   3.160  1.00  0.00           H  
ATOM      8  HA2 GLY A   1      16.347   5.653   4.655  1.00  0.00           H  
ATOM      9  HA3 GLY A   1      15.769   6.434   3.183  1.00  0.00           H  
ATOM     10  N   ALA A   2      13.800   4.904   2.913  1.00  0.00           N  
ATOM     11  CA  ALA A   2      12.599   4.012   2.809  1.00  0.00           C  
ATOM     12  C   ALA A   2      12.784   2.994   1.675  1.00  0.00           C  
ATOM     13  O   ALA A   2      13.057   3.367   0.547  1.00  0.00           O  
ATOM     14  CB  ALA A   2      11.406   4.931   2.525  1.00  0.00           C  
ATOM     15  H   ALA A   2      13.785   5.785   2.481  1.00  0.00           H  
ATOM     16  HA  ALA A   2      12.437   3.500   3.746  1.00  0.00           H  
ATOM     17  HB1 ALA A   2      10.492   4.358   2.578  1.00  0.00           H  
ATOM     18  HB2 ALA A   2      11.505   5.354   1.536  1.00  0.00           H  
ATOM     19  HB3 ALA A   2      11.377   5.725   3.256  1.00  0.00           H  
ATOM     20  N   HIS A   3      12.634   1.722   1.969  1.00  0.00           N  
ATOM     21  CA  HIS A   3      12.793   0.650   0.931  1.00  0.00           C  
ATOM     22  C   HIS A   3      11.481   0.475   0.148  1.00  0.00           C  
ATOM     23  O   HIS A   3      10.809  -0.533   0.250  1.00  0.00           O  
ATOM     24  CB  HIS A   3      13.179  -0.622   1.704  1.00  0.00           C  
ATOM     25  CG  HIS A   3      13.758  -1.672   0.788  1.00  0.00           C  
ATOM     26  ND1 HIS A   3      14.293  -2.853   1.278  1.00  0.00           N  
ATOM     27  CD2 HIS A   3      13.897  -1.744  -0.580  1.00  0.00           C  
ATOM     28  CE1 HIS A   3      14.723  -3.575   0.230  1.00  0.00           C  
ATOM     29  NE2 HIS A   3      14.507  -2.946  -0.928  1.00  0.00           N  
ATOM     30  H   HIS A   3      12.412   1.467   2.890  1.00  0.00           H  
ATOM     31  HA  HIS A   3      13.591   0.912   0.253  1.00  0.00           H  
ATOM     32  HB2 HIS A   3      13.912  -0.375   2.456  1.00  0.00           H  
ATOM     33  HB3 HIS A   3      12.299  -1.019   2.189  1.00  0.00           H  
ATOM     34  HD1 HIS A   3      14.349  -3.117   2.222  1.00  0.00           H  
ATOM     35  HD2 HIS A   3      13.583  -0.983  -1.278  1.00  0.00           H  
ATOM     36  HE1 HIS A   3      15.189  -4.547   0.314  1.00  0.00           H  
ATOM     37  N   TRP A   4      11.119   1.458  -0.640  1.00  0.00           N  
ATOM     38  CA  TRP A   4       9.870   1.414  -1.455  1.00  0.00           C  
ATOM     39  C   TRP A   4       9.863   0.263  -2.448  1.00  0.00           C  
ATOM     40  O   TRP A   4       8.808  -0.222  -2.799  1.00  0.00           O  
ATOM     41  CB  TRP A   4       9.884   2.705  -2.247  1.00  0.00           C  
ATOM     42  CG  TRP A   4       9.604   3.845  -1.343  1.00  0.00           C  
ATOM     43  CD1 TRP A   4      10.331   4.967  -1.369  1.00  0.00           C  
ATOM     44  CD2 TRP A   4       8.586   3.997  -0.315  1.00  0.00           C  
ATOM     45  NE1 TRP A   4       9.828   5.834  -0.415  1.00  0.00           N  
ATOM     46  CE2 TRP A   4       8.752   5.280   0.261  1.00  0.00           C  
ATOM     47  CE3 TRP A   4       7.557   3.162   0.160  1.00  0.00           C  
ATOM     48  CZ2 TRP A   4       7.911   5.721   1.287  1.00  0.00           C  
ATOM     49  CZ3 TRP A   4       6.716   3.606   1.188  1.00  0.00           C  
ATOM     50  CH2 TRP A   4       6.892   4.879   1.749  1.00  0.00           C  
ATOM     51  H   TRP A   4      11.669   2.263  -0.719  1.00  0.00           H  
ATOM     52  HA  TRP A   4       8.990   1.399  -0.836  1.00  0.00           H  
ATOM     53  HB2 TRP A   4      10.854   2.835  -2.706  1.00  0.00           H  
ATOM     54  HB3 TRP A   4       9.142   2.653  -3.007  1.00  0.00           H  
ATOM     55  HD1 TRP A   4      11.161   5.117  -2.045  1.00  0.00           H  
ATOM     56  HE1 TRP A   4      10.175   6.731  -0.226  1.00  0.00           H  
ATOM     57  HE3 TRP A   4       7.413   2.174  -0.267  1.00  0.00           H  
ATOM     58  HZ2 TRP A   4       8.047   6.701   1.720  1.00  0.00           H  
ATOM     59  HZ3 TRP A   4       5.926   2.964   1.552  1.00  0.00           H  
ATOM     60  HH2 TRP A   4       6.238   5.211   2.542  1.00  0.00           H  
ATOM     61  N   GLY A   5      11.014  -0.162  -2.894  1.00  0.00           N  
ATOM     62  CA  GLY A   5      11.059  -1.282  -3.864  1.00  0.00           C  
ATOM     63  C   GLY A   5      10.311  -2.498  -3.284  1.00  0.00           C  
ATOM     64  O   GLY A   5       9.631  -3.204  -4.004  1.00  0.00           O  
ATOM     65  H   GLY A   5      11.851   0.251  -2.596  1.00  0.00           H  
ATOM     66  HA2 GLY A   5      10.577  -0.928  -4.765  1.00  0.00           H  
ATOM     67  HA3 GLY A   5      12.089  -1.523  -4.049  1.00  0.00           H  
ATOM     68  N   VAL A   6      10.427  -2.723  -1.992  1.00  0.00           N  
ATOM     69  CA  VAL A   6       9.737  -3.865  -1.303  1.00  0.00           C  
ATOM     70  C   VAL A   6       8.522  -3.393  -0.477  1.00  0.00           C  
ATOM     71  O   VAL A   6       7.702  -4.188  -0.057  1.00  0.00           O  
ATOM     72  CB  VAL A   6      10.809  -4.506  -0.412  1.00  0.00           C  
ATOM     73  CG1 VAL A   6      10.230  -5.666   0.406  1.00  0.00           C  
ATOM     74  CG2 VAL A   6      11.960  -5.047  -1.266  1.00  0.00           C  
ATOM     75  H   VAL A   6      10.978  -2.119  -1.449  1.00  0.00           H  
ATOM     76  HA  VAL A   6       9.404  -4.571  -2.029  1.00  0.00           H  
ATOM     77  HB  VAL A   6      11.186  -3.748   0.260  1.00  0.00           H  
ATOM     78 HG11 VAL A   6       9.682  -6.330  -0.247  1.00  0.00           H  
ATOM     79 HG12 VAL A   6       9.566  -5.279   1.164  1.00  0.00           H  
ATOM     80 HG13 VAL A   6      11.034  -6.211   0.878  1.00  0.00           H  
ATOM     81 HG21 VAL A   6      11.569  -5.719  -2.016  1.00  0.00           H  
ATOM     82 HG22 VAL A   6      12.658  -5.579  -0.636  1.00  0.00           H  
ATOM     83 HG23 VAL A   6      12.468  -4.226  -1.749  1.00  0.00           H  
ATOM     84  N   LEU A   7       8.407  -2.113  -0.253  1.00  0.00           N  
ATOM     85  CA  LEU A   7       7.282  -1.510   0.530  1.00  0.00           C  
ATOM     86  C   LEU A   7       6.269  -0.802  -0.388  1.00  0.00           C  
ATOM     87  O   LEU A   7       5.267  -0.312   0.094  1.00  0.00           O  
ATOM     88  CB  LEU A   7       7.915  -0.513   1.513  1.00  0.00           C  
ATOM     89  CG  LEU A   7       8.959  -1.176   2.426  1.00  0.00           C  
ATOM     90  CD1 LEU A   7       9.640  -0.109   3.286  1.00  0.00           C  
ATOM     91  CD2 LEU A   7       8.312  -2.209   3.354  1.00  0.00           C  
ATOM     92  H   LEU A   7       9.091  -1.534  -0.621  1.00  0.00           H  
ATOM     93  HA  LEU A   7       6.776  -2.278   1.093  1.00  0.00           H  
ATOM     94  HB2 LEU A   7       8.394   0.274   0.950  1.00  0.00           H  
ATOM     95  HB3 LEU A   7       7.134  -0.080   2.120  1.00  0.00           H  
ATOM     96  HG  LEU A   7       9.709  -1.657   1.814  1.00  0.00           H  
ATOM     97 HD11 LEU A   7      10.437  -0.562   3.855  1.00  0.00           H  
ATOM     98 HD12 LEU A   7       8.918   0.328   3.960  1.00  0.00           H  
ATOM     99 HD13 LEU A   7      10.047   0.660   2.646  1.00  0.00           H  
ATOM    100 HD21 LEU A   7       7.751  -2.920   2.766  1.00  0.00           H  
ATOM    101 HD22 LEU A   7       7.652  -1.709   4.046  1.00  0.00           H  
ATOM    102 HD23 LEU A   7       9.083  -2.727   3.905  1.00  0.00           H  
ATOM    103  N   ALA A   8       6.496  -0.741  -1.685  1.00  0.00           N  
ATOM    104  CA  ALA A   8       5.536  -0.072  -2.625  1.00  0.00           C  
ATOM    105  C   ALA A   8       4.181  -0.791  -2.552  1.00  0.00           C  
ATOM    106  O   ALA A   8       3.146  -0.177  -2.738  1.00  0.00           O  
ATOM    107  CB  ALA A   8       6.129  -0.189  -4.035  1.00  0.00           C  
ATOM    108  H   ALA A   8       7.309  -1.146  -2.054  1.00  0.00           H  
ATOM    109  HA  ALA A   8       5.422   0.968  -2.360  1.00  0.00           H  
ATOM    110  HB1 ALA A   8       6.812   0.630  -4.206  1.00  0.00           H  
ATOM    111  HB2 ALA A   8       5.334  -0.150  -4.765  1.00  0.00           H  
ATOM    112  HB3 ALA A   8       6.659  -1.125  -4.130  1.00  0.00           H  
ATOM    113  N   GLY A   9       4.198  -2.078  -2.268  1.00  0.00           N  
ATOM    114  CA  GLY A   9       2.940  -2.879  -2.154  1.00  0.00           C  
ATOM    115  C   GLY A   9       2.177  -2.402  -0.911  1.00  0.00           C  
ATOM    116  O   GLY A   9       0.963  -2.341  -0.931  1.00  0.00           O  
ATOM    117  H   GLY A   9       5.058  -2.529  -2.115  1.00  0.00           H  
ATOM    118  HA2 GLY A   9       2.336  -2.733  -3.039  1.00  0.00           H  
ATOM    119  HA3 GLY A   9       3.179  -3.926  -2.039  1.00  0.00           H  
ATOM    120  N   ILE A  10       2.885  -2.059   0.147  1.00  0.00           N  
ATOM    121  CA  ILE A  10       2.254  -1.566   1.415  1.00  0.00           C  
ATOM    122  C   ILE A  10       1.457  -0.297   1.085  1.00  0.00           C  
ATOM    123  O   ILE A  10       0.299  -0.202   1.438  1.00  0.00           O  
ATOM    124  CB  ILE A  10       3.414  -1.277   2.385  1.00  0.00           C  
ATOM    125  CG1 ILE A  10       3.982  -2.607   2.894  1.00  0.00           C  
ATOM    126  CG2 ILE A  10       2.966  -0.403   3.563  1.00  0.00           C  
ATOM    127  CD1 ILE A  10       5.198  -2.358   3.788  1.00  0.00           C  
ATOM    128  H   ILE A  10       3.863  -2.121   0.104  1.00  0.00           H  
ATOM    129  HA  ILE A  10       1.601  -2.321   1.827  1.00  0.00           H  
ATOM    130  HB  ILE A  10       4.188  -0.745   1.855  1.00  0.00           H  
ATOM    131 HG12 ILE A  10       3.225  -3.133   3.458  1.00  0.00           H  
ATOM    132 HG13 ILE A  10       4.287  -3.203   2.045  1.00  0.00           H  
ATOM    133 HG21 ILE A  10       1.987  -0.711   3.895  1.00  0.00           H  
ATOM    134 HG22 ILE A  10       2.932   0.629   3.242  1.00  0.00           H  
ATOM    135 HG23 ILE A  10       3.674  -0.497   4.374  1.00  0.00           H  
ATOM    136 HD11 ILE A  10       4.869  -2.195   4.803  1.00  0.00           H  
ATOM    137 HD12 ILE A  10       5.730  -1.486   3.436  1.00  0.00           H  
ATOM    138 HD13 ILE A  10       5.848  -3.219   3.752  1.00  0.00           H  
ATOM    139  N   ALA A  11       2.068   0.652   0.408  1.00  0.00           N  
ATOM    140  CA  ALA A  11       1.360   1.918   0.033  1.00  0.00           C  
ATOM    141  C   ALA A  11       0.168   1.584  -0.879  1.00  0.00           C  
ATOM    142  O   ALA A  11      -0.888   2.173  -0.747  1.00  0.00           O  
ATOM    143  CB  ALA A  11       2.386   2.782  -0.706  1.00  0.00           C  
ATOM    144  H   ALA A  11       3.003   0.521   0.139  1.00  0.00           H  
ATOM    145  HA  ALA A  11       1.018   2.433   0.918  1.00  0.00           H  
ATOM    146  HB1 ALA A  11       3.078   3.211   0.004  1.00  0.00           H  
ATOM    147  HB2 ALA A  11       1.874   3.574  -1.233  1.00  0.00           H  
ATOM    148  HB3 ALA A  11       2.928   2.175  -1.416  1.00  0.00           H  
ATOM    149  N   TYR A  12       0.340   0.642  -1.782  1.00  0.00           N  
ATOM    150  CA  TYR A  12      -0.761   0.233  -2.714  1.00  0.00           C  
ATOM    151  C   TYR A  12      -1.915  -0.362  -1.899  1.00  0.00           C  
ATOM    152  O   TYR A  12      -3.052   0.056  -2.031  1.00  0.00           O  
ATOM    153  CB  TYR A  12      -0.172  -0.839  -3.638  1.00  0.00           C  
ATOM    154  CG  TYR A  12      -0.718  -0.658  -5.033  1.00  0.00           C  
ATOM    155  CD1 TYR A  12      -1.901  -1.308  -5.401  1.00  0.00           C  
ATOM    156  CD2 TYR A  12      -0.047   0.155  -5.955  1.00  0.00           C  
ATOM    157  CE1 TYR A  12      -2.416  -1.145  -6.691  1.00  0.00           C  
ATOM    158  CE2 TYR A  12      -0.562   0.317  -7.245  1.00  0.00           C  
ATOM    159  CZ  TYR A  12      -1.746  -0.333  -7.613  1.00  0.00           C  
ATOM    160  OH  TYR A  12      -2.253  -0.172  -8.886  1.00  0.00           O  
ATOM    161  H   TYR A  12       1.213   0.192  -1.840  1.00  0.00           H  
ATOM    162  HA  TYR A  12      -1.098   1.077  -3.297  1.00  0.00           H  
ATOM    163  HB2 TYR A  12       0.902  -0.761  -3.646  1.00  0.00           H  
ATOM    164  HB3 TYR A  12      -0.449  -1.817  -3.273  1.00  0.00           H  
ATOM    165  HD1 TYR A  12      -2.417  -1.934  -4.687  1.00  0.00           H  
ATOM    166  HD2 TYR A  12       0.866   0.657  -5.671  1.00  0.00           H  
ATOM    167  HE1 TYR A  12      -3.329  -1.646  -6.976  1.00  0.00           H  
ATOM    168  HE2 TYR A  12      -0.046   0.944  -7.957  1.00  0.00           H  
ATOM    169  HH  TYR A  12      -1.877  -0.855  -9.447  1.00  0.00           H  
ATOM    170  N   PHE A  13      -1.599  -1.327  -1.065  1.00  0.00           N  
ATOM    171  CA  PHE A  13      -2.631  -1.989  -0.208  1.00  0.00           C  
ATOM    172  C   PHE A  13      -3.286  -0.962   0.726  1.00  0.00           C  
ATOM    173  O   PHE A  13      -4.478  -1.047   0.951  1.00  0.00           O  
ATOM    174  CB  PHE A  13      -1.928  -3.090   0.596  1.00  0.00           C  
ATOM    175  CG  PHE A  13      -2.918  -4.200   0.867  1.00  0.00           C  
ATOM    176  CD1 PHE A  13      -3.825  -4.087   1.928  1.00  0.00           C  
ATOM    177  CD2 PHE A  13      -2.933  -5.340   0.055  1.00  0.00           C  
ATOM    178  CE1 PHE A  13      -4.744  -5.112   2.178  1.00  0.00           C  
ATOM    179  CE2 PHE A  13      -3.853  -6.366   0.304  1.00  0.00           C  
ATOM    180  CZ  PHE A  13      -4.758  -6.251   1.366  1.00  0.00           C  
ATOM    181  H   PHE A  13      -0.658  -1.614  -1.008  1.00  0.00           H  
ATOM    182  HA  PHE A  13      -3.387  -2.434  -0.838  1.00  0.00           H  
ATOM    183  HB2 PHE A  13      -1.090  -3.476   0.033  1.00  0.00           H  
ATOM    184  HB3 PHE A  13      -1.578  -2.687   1.535  1.00  0.00           H  
ATOM    185  HD1 PHE A  13      -3.816  -3.208   2.556  1.00  0.00           H  
ATOM    186  HD2 PHE A  13      -2.234  -5.428  -0.764  1.00  0.00           H  
ATOM    187  HE1 PHE A  13      -5.442  -5.022   2.996  1.00  0.00           H  
ATOM    188  HE2 PHE A  13      -3.863  -7.245  -0.323  1.00  0.00           H  
ATOM    189  HZ  PHE A  13      -5.468  -7.042   1.558  1.00  0.00           H  
ATOM    190  N   SER A  14      -2.538  -0.011   1.250  1.00  0.00           N  
ATOM    191  CA  SER A  14      -3.123   1.029   2.162  1.00  0.00           C  
ATOM    192  C   SER A  14      -4.249   1.767   1.426  1.00  0.00           C  
ATOM    193  O   SER A  14      -5.297   2.011   1.995  1.00  0.00           O  
ATOM    194  CB  SER A  14      -2.001   2.009   2.515  1.00  0.00           C  
ATOM    195  OG  SER A  14      -2.247   2.548   3.808  1.00  0.00           O  
ATOM    196  H   SER A  14      -1.579   0.021   1.035  1.00  0.00           H  
ATOM    197  HA  SER A  14      -3.502   0.567   3.061  1.00  0.00           H  
ATOM    198  HB2 SER A  14      -1.050   1.502   2.523  1.00  0.00           H  
ATOM    199  HB3 SER A  14      -1.981   2.794   1.771  1.00  0.00           H  
ATOM    200  HG  SER A  14      -1.545   3.172   4.011  1.00  0.00           H  
ATOM    201  N   MET A  15      -4.038   2.104   0.171  1.00  0.00           N  
ATOM    202  CA  MET A  15      -5.088   2.812  -0.624  1.00  0.00           C  
ATOM    203  C   MET A  15      -6.246   1.837  -0.859  1.00  0.00           C  
ATOM    204  O   MET A  15      -7.387   2.244  -0.779  1.00  0.00           O  
ATOM    205  CB  MET A  15      -4.440   3.254  -1.943  1.00  0.00           C  
ATOM    206  CG  MET A  15      -4.713   4.739  -2.199  1.00  0.00           C  
ATOM    207  SD  MET A  15      -3.369   5.430  -3.195  1.00  0.00           S  
ATOM    208  CE  MET A  15      -4.192   6.969  -3.671  1.00  0.00           C  
ATOM    209  H   MET A  15      -3.183   1.880  -0.255  1.00  0.00           H  
ATOM    210  HA  MET A  15      -5.454   3.665  -0.072  1.00  0.00           H  
ATOM    211  HB2 MET A  15      -3.373   3.092  -1.896  1.00  0.00           H  
ATOM    212  HB3 MET A  15      -4.852   2.675  -2.756  1.00  0.00           H  
ATOM    213  HG2 MET A  15      -5.647   4.847  -2.731  1.00  0.00           H  
ATOM    214  HG3 MET A  15      -4.770   5.268  -1.258  1.00  0.00           H  
ATOM    215  HE1 MET A  15      -5.185   6.746  -4.037  1.00  0.00           H  
ATOM    216  HE2 MET A  15      -3.630   7.457  -4.452  1.00  0.00           H  
ATOM    217  HE3 MET A  15      -4.248   7.625  -2.814  1.00  0.00           H  
ATOM    218  N   VAL A  16      -5.973   0.575  -1.127  1.00  0.00           N  
ATOM    219  CA  VAL A  16      -7.077  -0.420  -1.346  1.00  0.00           C  
ATOM    220  C   VAL A  16      -7.885  -0.565  -0.048  1.00  0.00           C  
ATOM    221  O   VAL A  16      -9.074  -0.812  -0.072  1.00  0.00           O  
ATOM    222  CB  VAL A  16      -6.461  -1.753  -1.800  1.00  0.00           C  
ATOM    223  CG1 VAL A  16      -7.570  -2.756  -2.137  1.00  0.00           C  
ATOM    224  CG2 VAL A  16      -5.593  -1.557  -3.050  1.00  0.00           C  
ATOM    225  H   VAL A  16      -5.038   0.280  -1.171  1.00  0.00           H  
ATOM    226  HA  VAL A  16      -7.734  -0.034  -2.092  1.00  0.00           H  
ATOM    227  HB  VAL A  16      -5.858  -2.153  -0.997  1.00  0.00           H  
ATOM    228 HG11 VAL A  16      -8.141  -2.397  -2.981  1.00  0.00           H  
ATOM    229 HG12 VAL A  16      -8.224  -2.875  -1.286  1.00  0.00           H  
ATOM    230 HG13 VAL A  16      -7.129  -3.710  -2.384  1.00  0.00           H  
ATOM    231 HG21 VAL A  16      -4.575  -1.836  -2.823  1.00  0.00           H  
ATOM    232 HG22 VAL A  16      -5.619  -0.522  -3.357  1.00  0.00           H  
ATOM    233 HG23 VAL A  16      -5.962  -2.178  -3.853  1.00  0.00           H  
ATOM    234  N   GLY A  17      -7.223  -0.389   1.063  1.00  0.00           N  
ATOM    235  CA  GLY A  17      -7.860  -0.473   2.410  1.00  0.00           C  
ATOM    236  C   GLY A  17      -8.814   0.723   2.519  1.00  0.00           C  
ATOM    237  O   GLY A  17      -9.932   0.571   2.969  1.00  0.00           O  
ATOM    238  H   GLY A  17      -6.273  -0.181   0.994  1.00  0.00           H  
ATOM    239  HA2 GLY A  17      -8.402  -1.404   2.501  1.00  0.00           H  
ATOM    240  HA3 GLY A  17      -7.113  -0.397   3.184  1.00  0.00           H  
ATOM    241  N   ASN A  18      -8.383   1.894   2.095  1.00  0.00           N  
ATOM    242  CA  ASN A  18      -9.258   3.110   2.149  1.00  0.00           C  
ATOM    243  C   ASN A  18     -10.364   2.950   1.091  1.00  0.00           C  
ATOM    244  O   ASN A  18     -11.512   3.269   1.336  1.00  0.00           O  
ATOM    245  CB  ASN A  18      -8.351   4.304   1.826  1.00  0.00           C  
ATOM    246  CG  ASN A  18      -7.734   4.863   3.112  1.00  0.00           C  
ATOM    247  OD1 ASN A  18      -7.028   4.169   3.816  1.00  0.00           O  
ATOM    248  ND2 ASN A  18      -7.967   6.099   3.456  1.00  0.00           N  
ATOM    249  H   ASN A  18      -7.471   1.975   1.725  1.00  0.00           H  
ATOM    250  HA  ASN A  18      -9.690   3.222   3.132  1.00  0.00           H  
ATOM    251  HB2 ASN A  18      -7.561   3.989   1.159  1.00  0.00           H  
ATOM    252  HB3 ASN A  18      -8.933   5.077   1.348  1.00  0.00           H  
ATOM    253 HD21 ASN A  18      -8.537   6.668   2.891  1.00  0.00           H  
ATOM    254 HD22 ASN A  18      -7.570   6.456   4.283  1.00  0.00           H  
ATOM    255  N   TRP A  19     -10.002   2.453  -0.071  1.00  0.00           N  
ATOM    256  CA  TRP A  19     -10.930   2.220  -1.210  1.00  0.00           C  
ATOM    257  C   TRP A  19     -12.021   1.205  -0.838  1.00  0.00           C  
ATOM    258  O   TRP A  19     -13.184   1.468  -1.080  1.00  0.00           O  
ATOM    259  CB  TRP A  19     -10.028   1.661  -2.325  1.00  0.00           C  
ATOM    260  CG  TRP A  19     -10.835   1.282  -3.523  1.00  0.00           C  
ATOM    261  CD1 TRP A  19     -12.019   1.841  -3.818  1.00  0.00           C  
ATOM    262  CD2 TRP A  19     -10.568   0.304  -4.566  1.00  0.00           C  
ATOM    263  NE1 TRP A  19     -12.513   1.282  -4.980  1.00  0.00           N  
ATOM    264  CE2 TRP A  19     -11.650   0.325  -5.483  1.00  0.00           C  
ATOM    265  CE3 TRP A  19      -9.507  -0.583  -4.803  1.00  0.00           C  
ATOM    266  CZ2 TRP A  19     -11.669  -0.516  -6.600  1.00  0.00           C  
ATOM    267  CZ3 TRP A  19      -9.524  -1.426  -5.921  1.00  0.00           C  
ATOM    268  CH2 TRP A  19     -10.600  -1.394  -6.818  1.00  0.00           C  
ATOM    269  H   TRP A  19      -9.068   2.212  -0.216  1.00  0.00           H  
ATOM    270  HA  TRP A  19     -11.366   3.147  -1.546  1.00  0.00           H  
ATOM    271  HB2 TRP A  19      -9.304   2.409  -2.611  1.00  0.00           H  
ATOM    272  HB3 TRP A  19      -9.507   0.790  -1.955  1.00  0.00           H  
ATOM    273  HD1 TRP A  19     -12.469   2.604  -3.202  1.00  0.00           H  
ATOM    274  HE1 TRP A  19     -13.362   1.520  -5.407  1.00  0.00           H  
ATOM    275  HE3 TRP A  19      -8.675  -0.613  -4.115  1.00  0.00           H  
ATOM    276  HZ2 TRP A  19     -12.499  -0.488  -7.290  1.00  0.00           H  
ATOM    277  HZ3 TRP A  19      -8.702  -2.105  -6.092  1.00  0.00           H  
ATOM    278  HH2 TRP A  19     -10.605  -2.047  -7.677  1.00  0.00           H  
ATOM    279  N   ALA A  20     -11.649   0.077  -0.272  1.00  0.00           N  
ATOM    280  CA  ALA A  20     -12.635  -0.980   0.120  1.00  0.00           C  
ATOM    281  C   ALA A  20     -13.809  -0.372   0.898  1.00  0.00           C  
ATOM    282  O   ALA A  20     -14.929  -0.439   0.427  1.00  0.00           O  
ATOM    283  CB  ALA A  20     -11.853  -1.986   0.968  1.00  0.00           C  
ATOM    284  H   ALA A  20     -10.693  -0.080  -0.106  1.00  0.00           H  
ATOM    285  HA  ALA A  20     -12.997  -1.475  -0.768  1.00  0.00           H  
ATOM    286  HB1 ALA A  20     -11.095  -2.454   0.356  1.00  0.00           H  
ATOM    287  HB2 ALA A  20     -12.528  -2.738   1.347  1.00  0.00           H  
ATOM    288  HB3 ALA A  20     -11.382  -1.471   1.792  1.00  0.00           H  
ATOM    289  N   LYS A  21     -13.539   0.212   2.049  1.00  0.00           N  
ATOM    290  CA  LYS A  21     -14.568   0.865   2.928  1.00  0.00           C  
ATOM    291  C   LYS A  21     -15.633  -0.090   3.510  1.00  0.00           C  
ATOM    292  O   LYS A  21     -16.105   0.204   4.598  1.00  0.00           O  
ATOM    293  CB  LYS A  21     -15.166   1.997   2.075  1.00  0.00           C  
ATOM    294  CG  LYS A  21     -16.173   2.834   2.874  1.00  0.00           C  
ATOM    295  CD  LYS A  21     -15.470   3.544   4.036  1.00  0.00           C  
ATOM    296  CE  LYS A  21     -16.502   4.272   4.904  1.00  0.00           C  
ATOM    297  NZ  LYS A  21     -16.647   5.640   4.326  1.00  0.00           N  
ATOM    298  OXT LYS A  21     -15.976  -1.090   2.900  1.00  0.00           O  
ATOM    299  H   LYS A  21     -12.605   0.230   2.350  1.00  0.00           H  
ATOM    300  HA  LYS A  21     -14.051   1.325   3.755  1.00  0.00           H  
ATOM    301  HB2 LYS A  21     -14.365   2.640   1.740  1.00  0.00           H  
ATOM    302  HB3 LYS A  21     -15.658   1.576   1.210  1.00  0.00           H  
ATOM    303  HG2 LYS A  21     -16.621   3.567   2.220  1.00  0.00           H  
ATOM    304  HG3 LYS A  21     -16.944   2.187   3.265  1.00  0.00           H  
ATOM    305  HD2 LYS A  21     -14.952   2.811   4.638  1.00  0.00           H  
ATOM    306  HD3 LYS A  21     -14.759   4.258   3.649  1.00  0.00           H  
ATOM    307  HE2 LYS A  21     -17.446   3.745   4.877  1.00  0.00           H  
ATOM    308  HE3 LYS A  21     -16.145   4.344   5.920  1.00  0.00           H  
ATOM    309  HZ1 LYS A  21     -16.799   5.578   3.298  1.00  0.00           H  
ATOM    310  HZ2 LYS A  21     -15.784   6.192   4.516  1.00  0.00           H  
ATOM    311  HZ3 LYS A  21     -17.463   6.113   4.761  1.00  0.00           H  
TER     312      LYS A  21                                                      
MASTER       72    0    0    1    0    0    0    6  159    1    0    2          
END