HEADER    MEMBRANE PROTEIN                        15-AUG-13   2MC7              
TITLE     STRUCTURE OF SALMONELLA MGTR                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: REGULATORY PEPTIDE;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
SOURCE   4 ORGANISM_TAXID: 90371                                                
KEYWDS    TRANSMEMBRANE HELICAL COMPLEX, MEMBRANE PROTEIN                       
EXPDTA    SOLID-STATE NMR                                                       
AUTHOR    F.JEAN-FRANCOIS,J.DAI,L.YU,A.MYRICK,E.RUBIN,P.FAJER,L.SONG,H.ZHOU,    
AUTHOR   2 T.CROSS                                                              
REVDAT   3   22-JAN-14 2MC7    1       JRNL                                     
REVDAT   2   06-NOV-13 2MC7    1       JRNL                                     
REVDAT   1   30-OCT-13 2MC7    0                                                
JRNL        AUTH   F.L.JEAN-FRANCOIS,J.DAI,L.YU,A.MYRICK,E.RUBIN,P.G.FAJER,     
JRNL        AUTH 2 L.SONG,H.X.ZHOU,T.A.CROSS                                    
JRNL        TITL   BINDING OF MGTR, A SALMONELLA TRANSMEMBRANE REGULATORY       
JRNL        TITL 2 PEPTIDE, TO MGTC, A MYCOBACTERIUM TUBERCULOSIS VIRULENCE     
JRNL        TITL 3 FACTOR: A STRUCTURAL STUDY.                                  
JRNL        REF    J.MOL.BIOL.                   V. 426   436 2014              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   24140750                                                     
JRNL        DOI    10.1016/J.JMB.2013.10.014                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH 2.29                                      
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MC7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-AUG-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB103464.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 310                                
REMARK 210  PH                             : 8.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 86% DMPC, 14% SPECIFIC AA LABELS   
REMARK 210                                   MGTR, 54% H2O/46% D2O              
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : PISEMA                             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 400 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 217                                                                      
REMARK 217 SOLID STATE NMR STUDY                                                
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID              
REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT           
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 217 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    ARG A   3      100.13    -57.46                                   
REMARK 500    ILE A  28      103.77     65.56                                   
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    PHE A  13         0.13    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500    SER A   4        23.5      L          L   OUTSIDE RANGE           
REMARK 500    ILE A  16        24.3      L          L   OUTSIDE RANGE           
REMARK 500    ILE A  28        23.9      L          L   OUTSIDE RANGE           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 19430   RELATED DB: BMRB                                 
DBREF  2MC7 A    1    30  UNP    B0LJC7   B0LJC7_SALTM     1     30             
SEQRES   1 A   30  MET ASN ARG SER PRO ASP LYS ILE ILE ALA LEU ILE PHE          
SEQRES   2 A   30  LEU LEU ILE SER LEU LEU VAL LEU CYS LEU ALA LEU TRP          
SEQRES   3 A   30  GLN ILE VAL PHE                                              
HELIX    1   1 ARG A    3  PRO A    5  5                                   3    
HELIX    2   2 ASP A    6  GLN A   27  1                                  22    
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   MET A   1       3.392   0.961 -13.394  1.00  0.00           N  
ATOM      2  CA  MET A   1       3.094  -0.478 -13.446  1.00  0.00           C  
ATOM      3  C   MET A   1       2.592  -0.904 -14.861  1.00  0.00           C  
ATOM      4  O   MET A   1       1.635  -0.300 -15.403  1.00  0.00           O  
ATOM      5  CB  MET A   1       2.075  -0.890 -12.296  1.00  0.00           C  
ATOM      6  CG  MET A   1       1.676  -2.415 -12.325  1.00  0.00           C  
ATOM      7  SD  MET A   1       0.885  -2.891 -10.758  1.00  0.00           S  
ATOM      8  CE  MET A   1       0.906  -4.623 -11.034  1.00  0.00           C  
ATOM      9  H1  MET A   1       3.903   1.221 -14.261  1.00  0.00           H  
ATOM     10  H2  MET A   1       4.057   1.078 -12.603  1.00  0.00           H  
ATOM     11  H3  MET A   1       2.570   1.592 -13.305  1.00  0.00           H  
ATOM     12  HA  MET A   1       4.078  -0.907 -13.324  1.00  0.00           H  
ATOM     13  HB2 MET A   1       2.623  -0.713 -11.346  1.00  0.00           H  
ATOM     14  HB3 MET A   1       1.123  -0.322 -12.370  1.00  0.00           H  
ATOM     15  HG2 MET A   1       1.056  -2.709 -13.199  1.00  0.00           H  
ATOM     16  HG3 MET A   1       2.635  -2.975 -12.357  1.00  0.00           H  
ATOM     17  HE1 MET A   1       1.824  -4.975 -11.552  1.00  0.00           H  
ATOM     18  HE2 MET A   1       0.131  -4.916 -11.774  1.00  0.00           H  
ATOM     19  HE3 MET A   1       0.670  -5.160 -10.090  1.00  0.00           H  
ATOM     20  N   ASN A   2       3.101  -1.993 -15.404  1.00  0.00           N  
ATOM     21  CA  ASN A   2       2.636  -2.434 -16.729  1.00  0.00           C  
ATOM     22  C   ASN A   2       1.843  -3.762 -16.701  1.00  0.00           C  
ATOM     23  O   ASN A   2       1.057  -4.042 -17.588  1.00  0.00           O  
ATOM     24  CB  ASN A   2       3.866  -2.647 -17.628  1.00  0.00           C  
ATOM     25  CG  ASN A   2       3.523  -2.531 -19.128  1.00  0.00           C  
ATOM     26  OD1 ASN A   2       2.795  -1.673 -19.555  1.00  0.00           O  
ATOM     27  ND2 ASN A   2       4.092  -3.500 -19.838  1.00  0.00           N  
ATOM     28  H   ASN A   2       3.799  -2.547 -14.959  1.00  0.00           H  
ATOM     29  HA  ASN A   2       1.964  -1.693 -17.138  1.00  0.00           H  
ATOM     30  HB2 ASN A   2       4.578  -1.807 -17.482  1.00  0.00           H  
ATOM     31  HB3 ASN A   2       4.485  -3.526 -17.348  1.00  0.00           H  
ATOM     32 HD21 ASN A   2       4.611  -4.187 -19.330  1.00  0.00           H  
ATOM     33 HD22 ASN A   2       4.097  -3.494 -20.838  1.00  0.00           H  
ATOM     34  N   ARG A   3       2.039  -4.660 -15.683  1.00  0.00           N  
ATOM     35  CA  ARG A   3       1.237  -5.890 -15.506  1.00  0.00           C  
ATOM     36  C   ARG A   3      -0.275  -5.587 -15.374  1.00  0.00           C  
ATOM     37  O   ARG A   3      -0.809  -5.211 -14.311  1.00  0.00           O  
ATOM     38  CB  ARG A   3       1.724  -6.515 -14.184  1.00  0.00           C  
ATOM     39  CG  ARG A   3       0.941  -7.755 -13.738  1.00  0.00           C  
ATOM     40  CD  ARG A   3       1.085  -9.022 -14.659  1.00  0.00           C  
ATOM     41  NE  ARG A   3      -0.097  -9.977 -14.326  1.00  0.00           N  
ATOM     42  CZ  ARG A   3      -0.482 -10.974 -15.073  1.00  0.00           C  
ATOM     43  NH1 ARG A   3       0.013 -11.200 -16.274  1.00  0.00           N  
ATOM     44  NH2 ARG A   3      -1.525 -11.756 -14.712  1.00  0.00           N  
ATOM     45  H   ARG A   3       2.774  -4.394 -15.065  1.00  0.00           H  
ATOM     46  HA  ARG A   3       1.255  -6.596 -16.323  1.00  0.00           H  
ATOM     47  HB2 ARG A   3       2.770  -6.873 -14.294  1.00  0.00           H  
ATOM     48  HB3 ARG A   3       1.667  -5.792 -13.343  1.00  0.00           H  
ATOM     49  HG2 ARG A   3       1.355  -7.948 -12.725  1.00  0.00           H  
ATOM     50  HG3 ARG A   3      -0.131  -7.604 -13.489  1.00  0.00           H  
ATOM     51  HD2 ARG A   3       1.090  -8.584 -15.680  1.00  0.00           H  
ATOM     52  HD3 ARG A   3       1.952  -9.490 -14.145  1.00  0.00           H  
ATOM     53  HE  ARG A   3      -0.599  -9.845 -13.471  1.00  0.00           H  
ATOM     54 HH11 ARG A   3       0.752 -10.665 -16.682  1.00  0.00           H  
ATOM     55 HH12 ARG A   3      -0.471 -11.887 -16.816  1.00  0.00           H  
ATOM     56 HH21 ARG A   3      -2.153 -11.515 -13.972  1.00  0.00           H  
ATOM     57 HH22 ARG A   3      -1.820 -12.479 -15.336  1.00  0.00           H  
ATOM     58  N   SER A   4      -1.079  -5.756 -16.475  1.00  0.00           N  
ATOM     59  CA  SER A   4      -2.437  -5.258 -16.594  1.00  0.00           C  
ATOM     60  C   SER A   4      -3.540  -5.538 -15.582  1.00  0.00           C  
ATOM     61  O   SER A   4      -4.097  -4.551 -15.199  1.00  0.00           O  
ATOM     62  CB  SER A   4      -3.028  -5.550 -18.055  1.00  0.00           C  
ATOM     63  OG  SER A   4      -3.900  -4.555 -18.466  1.00  0.00           O  
ATOM     64  H   SER A   4      -0.715  -6.209 -17.285  1.00  0.00           H  
ATOM     65  HA  SER A   4      -2.410  -4.187 -16.454  1.00  0.00           H  
ATOM     66  HB2 SER A   4      -2.110  -5.650 -18.673  1.00  0.00           H  
ATOM     67  HB3 SER A   4      -3.554  -6.524 -17.968  1.00  0.00           H  
ATOM     68  HG  SER A   4      -4.687  -4.982 -18.813  1.00  0.00           H  
ATOM     69  N   PRO A   5      -3.831  -6.787 -15.231  1.00  0.00           N  
ATOM     70  CA  PRO A   5      -4.992  -7.066 -14.371  1.00  0.00           C  
ATOM     71  C   PRO A   5      -4.869  -6.737 -12.888  1.00  0.00           C  
ATOM     72  O   PRO A   5      -5.867  -6.752 -12.167  1.00  0.00           O  
ATOM     73  CB  PRO A   5      -5.267  -8.545 -14.603  1.00  0.00           C  
ATOM     74  CG  PRO A   5      -3.798  -9.051 -14.811  1.00  0.00           C  
ATOM     75  CD  PRO A   5      -2.983  -8.003 -15.547  1.00  0.00           C  
ATOM     76  HA  PRO A   5      -5.893  -6.549 -14.666  1.00  0.00           H  
ATOM     77  HB2 PRO A   5      -5.768  -9.078 -13.767  1.00  0.00           H  
ATOM     78  HB3 PRO A   5      -5.915  -8.837 -15.457  1.00  0.00           H  
ATOM     79  HG2 PRO A   5      -3.464  -9.330 -13.789  1.00  0.00           H  
ATOM     80  HG3 PRO A   5      -3.640 -10.001 -15.364  1.00  0.00           H  
ATOM     81  HD2 PRO A   5      -2.003  -7.845 -15.048  1.00  0.00           H  
ATOM     82  HD3 PRO A   5      -2.830  -8.344 -16.593  1.00  0.00           H  
ATOM     83  N   ASP A   6      -3.694  -6.415 -12.410  1.00  0.00           N  
ATOM     84  CA  ASP A   6      -3.305  -6.324 -11.012  1.00  0.00           C  
ATOM     85  C   ASP A   6      -3.216  -4.911 -10.409  1.00  0.00           C  
ATOM     86  O   ASP A   6      -3.015  -4.730  -9.194  1.00  0.00           O  
ATOM     87  CB  ASP A   6      -1.956  -7.111 -10.838  1.00  0.00           C  
ATOM     88  CG  ASP A   6      -2.230  -8.553 -11.304  1.00  0.00           C  
ATOM     89  OD1 ASP A   6      -2.995  -9.281 -10.651  1.00  0.00           O  
ATOM     90  OD2 ASP A   6      -1.580  -9.034 -12.247  1.00  0.00           O  
ATOM     91  H   ASP A   6      -2.995  -6.212 -13.092  1.00  0.00           H  
ATOM     92  HA  ASP A   6      -4.101  -6.853 -10.509  1.00  0.00           H  
ATOM     93  HB2 ASP A   6      -1.158  -6.812 -11.550  1.00  0.00           H  
ATOM     94  HB3 ASP A   6      -1.566  -7.026  -9.801  1.00  0.00           H  
ATOM     95  N   LYS A   7      -3.537  -3.908 -11.286  1.00  0.00           N  
ATOM     96  CA  LYS A   7      -3.269  -2.552 -10.936  1.00  0.00           C  
ATOM     97  C   LYS A   7      -3.991  -1.912  -9.768  1.00  0.00           C  
ATOM     98  O   LYS A   7      -3.520  -1.022  -9.016  1.00  0.00           O  
ATOM     99  CB  LYS A   7      -3.515  -1.759 -12.312  1.00  0.00           C  
ATOM    100  CG  LYS A   7      -2.390  -1.945 -13.316  1.00  0.00           C  
ATOM    101  CD  LYS A   7      -2.347  -0.838 -14.457  1.00  0.00           C  
ATOM    102  CE  LYS A   7      -1.403  -1.164 -15.622  1.00  0.00           C  
ATOM    103  NZ  LYS A   7      -1.319   0.009 -16.516  1.00  0.00           N  
ATOM    104  H   LYS A   7      -3.919  -4.103 -12.186  1.00  0.00           H  
ATOM    105  HA  LYS A   7      -2.206  -2.508 -10.749  1.00  0.00           H  
ATOM    106  HB2 LYS A   7      -4.505  -1.897 -12.795  1.00  0.00           H  
ATOM    107  HB3 LYS A   7      -3.544  -0.677 -12.061  1.00  0.00           H  
ATOM    108  HG2 LYS A   7      -1.381  -1.927 -12.852  1.00  0.00           H  
ATOM    109  HG3 LYS A   7      -2.491  -2.905 -13.866  1.00  0.00           H  
ATOM    110  HD2 LYS A   7      -3.367  -0.814 -14.896  1.00  0.00           H  
ATOM    111  HD3 LYS A   7      -2.022   0.154 -14.077  1.00  0.00           H  
ATOM    112  HE2 LYS A   7      -0.462  -1.167 -15.032  1.00  0.00           H  
ATOM    113  HE3 LYS A   7      -1.640  -2.089 -16.190  1.00  0.00           H  
ATOM    114  HZ1 LYS A   7      -1.058   0.890 -16.030  1.00  0.00           H  
ATOM    115  HZ2 LYS A   7      -2.257   0.173 -16.935  1.00  0.00           H  
ATOM    116  HZ3 LYS A   7      -0.625  -0.184 -17.266  1.00  0.00           H  
ATOM    117  N   ILE A   8      -5.268  -2.285  -9.639  1.00  0.00           N  
ATOM    118  CA  ILE A   8      -6.088  -1.719  -8.640  1.00  0.00           C  
ATOM    119  C   ILE A   8      -5.777  -2.441  -7.307  1.00  0.00           C  
ATOM    120  O   ILE A   8      -5.609  -1.795  -6.242  1.00  0.00           O  
ATOM    121  CB  ILE A   8      -7.556  -1.802  -8.870  1.00  0.00           C  
ATOM    122  CG1 ILE A   8      -7.960  -1.052 -10.125  1.00  0.00           C  
ATOM    123  CG2 ILE A   8      -8.260  -1.211  -7.686  1.00  0.00           C  
ATOM    124  CD1 ILE A   8      -9.381  -1.341 -10.566  1.00  0.00           C  
ATOM    125  H   ILE A   8      -5.750  -2.921 -10.237  1.00  0.00           H  
ATOM    126  HA  ILE A   8      -5.779  -0.704  -8.436  1.00  0.00           H  
ATOM    127  HB  ILE A   8      -7.882  -2.861  -8.956  1.00  0.00           H  
ATOM    128 HG12 ILE A   8      -7.834   0.043  -9.983  1.00  0.00           H  
ATOM    129 HG13 ILE A   8      -7.262  -1.290 -10.956  1.00  0.00           H  
ATOM    130 HG21 ILE A   8      -9.353  -1.123  -7.864  1.00  0.00           H  
ATOM    131 HG22 ILE A   8      -7.856  -0.176  -7.684  1.00  0.00           H  
ATOM    132 HG23 ILE A   8      -8.110  -1.767  -6.736  1.00  0.00           H  
ATOM    133 HD11 ILE A   8      -9.920  -2.195 -10.101  1.00  0.00           H  
ATOM    134 HD12 ILE A   8      -9.931  -0.462 -10.167  1.00  0.00           H  
ATOM    135 HD13 ILE A   8      -9.516  -1.457 -11.662  1.00  0.00           H  
ATOM    136  N   ILE A   9      -5.555  -3.771  -7.332  1.00  0.00           N  
ATOM    137  CA  ILE A   9      -5.256  -4.591  -6.140  1.00  0.00           C  
ATOM    138  C   ILE A   9      -3.921  -4.212  -5.492  1.00  0.00           C  
ATOM    139  O   ILE A   9      -3.792  -3.992  -4.300  1.00  0.00           O  
ATOM    140  CB  ILE A   9      -5.505  -6.104  -6.323  1.00  0.00           C  
ATOM    141  CG1 ILE A   9      -4.843  -6.633  -7.622  1.00  0.00           C  
ATOM    142  CG2 ILE A   9      -7.025  -6.365  -6.336  1.00  0.00           C  
ATOM    143  CD1 ILE A   9      -4.722  -8.141  -7.729  1.00  0.00           C  
ATOM    144  H   ILE A   9      -5.392  -4.165  -8.233  1.00  0.00           H  
ATOM    145  HA  ILE A   9      -5.914  -4.389  -5.308  1.00  0.00           H  
ATOM    146  HB  ILE A   9      -5.049  -6.557  -5.417  1.00  0.00           H  
ATOM    147 HG12 ILE A   9      -5.373  -6.134  -8.461  1.00  0.00           H  
ATOM    148 HG13 ILE A   9      -3.793  -6.270  -7.656  1.00  0.00           H  
ATOM    149 HG21 ILE A   9      -7.137  -7.433  -6.048  1.00  0.00           H  
ATOM    150 HG22 ILE A   9      -7.517  -6.163  -7.312  1.00  0.00           H  
ATOM    151 HG23 ILE A   9      -7.547  -5.910  -5.467  1.00  0.00           H  
ATOM    152 HD11 ILE A   9      -4.251  -8.604  -6.835  1.00  0.00           H  
ATOM    153 HD12 ILE A   9      -5.711  -8.641  -7.803  1.00  0.00           H  
ATOM    154 HD13 ILE A   9      -4.112  -8.413  -8.617  1.00  0.00           H  
ATOM    155  N   ALA A  10      -2.862  -4.025  -6.266  1.00  0.00           N  
ATOM    156  CA  ALA A  10      -1.597  -3.461  -5.928  1.00  0.00           C  
ATOM    157  C   ALA A  10      -1.573  -2.040  -5.331  1.00  0.00           C  
ATOM    158  O   ALA A  10      -0.891  -1.685  -4.371  1.00  0.00           O  
ATOM    159  CB  ALA A  10      -0.728  -3.541  -7.237  1.00  0.00           C  
ATOM    160  H   ALA A  10      -2.935  -4.256  -7.233  1.00  0.00           H  
ATOM    161  HA  ALA A  10      -1.238  -4.159  -5.185  1.00  0.00           H  
ATOM    162  HB1 ALA A  10      -1.239  -2.923  -8.006  1.00  0.00           H  
ATOM    163  HB2 ALA A  10      -0.694  -4.584  -7.616  1.00  0.00           H  
ATOM    164  HB3 ALA A  10       0.291  -3.146  -7.033  1.00  0.00           H  
ATOM    165  N   LEU A  11      -2.373  -1.145  -5.910  1.00  0.00           N  
ATOM    166  CA  LEU A  11      -2.593   0.186  -5.418  1.00  0.00           C  
ATOM    167  C   LEU A  11      -3.235   0.217  -4.004  1.00  0.00           C  
ATOM    168  O   LEU A  11      -2.848   0.953  -3.111  1.00  0.00           O  
ATOM    169  CB  LEU A  11      -3.411   0.935  -6.436  1.00  0.00           C  
ATOM    170  CG  LEU A  11      -3.594   2.495  -6.290  1.00  0.00           C  
ATOM    171  CD1 LEU A  11      -2.334   3.317  -5.926  1.00  0.00           C  
ATOM    172  CD2 LEU A  11      -4.255   3.170  -7.537  1.00  0.00           C  
ATOM    173  H   LEU A  11      -2.803  -1.354  -6.785  1.00  0.00           H  
ATOM    174  HA  LEU A  11      -1.618   0.646  -5.359  1.00  0.00           H  
ATOM    175  HB2 LEU A  11      -2.926   0.803  -7.426  1.00  0.00           H  
ATOM    176  HB3 LEU A  11      -4.421   0.473  -6.407  1.00  0.00           H  
ATOM    177  HG  LEU A  11      -4.286   2.710  -5.448  1.00  0.00           H  
ATOM    178 HD11 LEU A  11      -1.607   3.333  -6.766  1.00  0.00           H  
ATOM    179 HD12 LEU A  11      -1.806   2.976  -5.010  1.00  0.00           H  
ATOM    180 HD13 LEU A  11      -2.688   4.352  -5.732  1.00  0.00           H  
ATOM    181 HD21 LEU A  11      -3.691   2.959  -8.471  1.00  0.00           H  
ATOM    182 HD22 LEU A  11      -4.236   4.267  -7.360  1.00  0.00           H  
ATOM    183 HD23 LEU A  11      -5.332   2.933  -7.668  1.00  0.00           H  
ATOM    184  N   ILE A  12      -4.190  -0.698  -3.894  1.00  0.00           N  
ATOM    185  CA  ILE A  12      -4.652  -1.057  -2.569  1.00  0.00           C  
ATOM    186  C   ILE A  12      -3.523  -1.560  -1.585  1.00  0.00           C  
ATOM    187  O   ILE A  12      -3.510  -1.101  -0.488  1.00  0.00           O  
ATOM    188  CB  ILE A  12      -5.772  -2.162  -2.650  1.00  0.00           C  
ATOM    189  CG1 ILE A  12      -7.123  -1.525  -3.118  1.00  0.00           C  
ATOM    190  CG2 ILE A  12      -5.927  -2.864  -1.259  1.00  0.00           C  
ATOM    191  CD1 ILE A  12      -8.104  -2.529  -3.586  1.00  0.00           C  
ATOM    192  H   ILE A  12      -4.398  -1.299  -4.661  1.00  0.00           H  
ATOM    193  HA  ILE A  12      -5.048  -0.198  -2.048  1.00  0.00           H  
ATOM    194  HB  ILE A  12      -5.566  -2.983  -3.369  1.00  0.00           H  
ATOM    195 HG12 ILE A  12      -7.478  -0.881  -2.285  1.00  0.00           H  
ATOM    196 HG13 ILE A  12      -6.889  -0.848  -3.968  1.00  0.00           H  
ATOM    197 HG21 ILE A  12      -6.942  -3.315  -1.229  1.00  0.00           H  
ATOM    198 HG22 ILE A  12      -5.958  -1.975  -0.593  1.00  0.00           H  
ATOM    199 HG23 ILE A  12      -5.170  -3.629  -0.981  1.00  0.00           H  
ATOM    200 HD11 ILE A  12      -7.876  -2.980  -4.575  1.00  0.00           H  
ATOM    201 HD12 ILE A  12      -8.109  -3.431  -2.938  1.00  0.00           H  
ATOM    202 HD13 ILE A  12      -9.114  -2.078  -3.697  1.00  0.00           H  
ATOM    203  N   PHE A  13      -2.621  -2.490  -2.051  1.00  0.00           N  
ATOM    204  CA  PHE A  13      -1.579  -3.050  -1.221  1.00  0.00           C  
ATOM    205  C   PHE A  13      -0.558  -1.931  -0.720  1.00  0.00           C  
ATOM    206  O   PHE A  13      -0.124  -1.843   0.441  1.00  0.00           O  
ATOM    207  CB  PHE A  13      -0.975  -4.267  -1.985  1.00  0.00           C  
ATOM    208  CG  PHE A  13       0.004  -5.075  -1.161  1.00  0.00           C  
ATOM    209  CD1 PHE A  13      -0.257  -5.441   0.223  1.00  0.00           C  
ATOM    210  CD2 PHE A  13       1.279  -5.339  -1.622  1.00  0.00           C  
ATOM    211  CE1 PHE A  13       0.785  -5.752   1.116  1.00  0.00           C  
ATOM    212  CE2 PHE A  13       2.361  -5.736  -0.735  1.00  0.00           C  
ATOM    213  CZ  PHE A  13       2.078  -5.873   0.631  1.00  0.00           C  
ATOM    214  H   PHE A  13      -2.678  -2.994  -2.909  1.00  0.00           H  
ATOM    215  HA  PHE A  13      -2.014  -3.449  -0.316  1.00  0.00           H  
ATOM    216  HB2 PHE A  13      -1.837  -4.881  -2.325  1.00  0.00           H  
ATOM    217  HB3 PHE A  13      -0.428  -3.994  -2.913  1.00  0.00           H  
ATOM    218  HD1 PHE A  13      -1.202  -5.208   0.691  1.00  0.00           H  
ATOM    219  HD2 PHE A  13       1.523  -5.167  -2.660  1.00  0.00           H  
ATOM    220  HE1 PHE A  13       0.580  -6.089   2.121  1.00  0.00           H  
ATOM    221  HE2 PHE A  13       3.375  -5.813  -1.100  1.00  0.00           H  
ATOM    222  HZ  PHE A  13       2.917  -6.246   1.200  1.00  0.00           H  
ATOM    223  N   LEU A  14      -0.261  -0.978  -1.634  1.00  0.00           N  
ATOM    224  CA  LEU A  14       0.588   0.147  -1.383  1.00  0.00           C  
ATOM    225  C   LEU A  14      -0.009   1.063  -0.436  1.00  0.00           C  
ATOM    226  O   LEU A  14       0.734   1.479   0.500  1.00  0.00           O  
ATOM    227  CB  LEU A  14       0.774   0.899  -2.718  1.00  0.00           C  
ATOM    228  CG  LEU A  14       1.566   2.131  -2.665  1.00  0.00           C  
ATOM    229  CD1 LEU A  14       2.926   1.865  -2.036  1.00  0.00           C  
ATOM    230  CD2 LEU A  14       1.735   2.688  -4.070  1.00  0.00           C  
ATOM    231  H   LEU A  14      -0.679  -1.124  -2.527  1.00  0.00           H  
ATOM    232  HA  LEU A  14       1.511  -0.223  -0.961  1.00  0.00           H  
ATOM    233  HB2 LEU A  14       1.260   0.096  -3.313  1.00  0.00           H  
ATOM    234  HB3 LEU A  14      -0.182   1.049  -3.264  1.00  0.00           H  
ATOM    235  HG  LEU A  14       1.088   2.883  -2.001  1.00  0.00           H  
ATOM    236 HD11 LEU A  14       3.392   0.958  -2.477  1.00  0.00           H  
ATOM    237 HD12 LEU A  14       2.813   1.701  -0.943  1.00  0.00           H  
ATOM    238 HD13 LEU A  14       3.582   2.741  -2.225  1.00  0.00           H  
ATOM    239 HD21 LEU A  14       2.354   3.610  -4.057  1.00  0.00           H  
ATOM    240 HD22 LEU A  14       0.764   2.816  -4.594  1.00  0.00           H  
ATOM    241 HD23 LEU A  14       2.325   1.976  -4.686  1.00  0.00           H  
ATOM    242  N   LEU A  15      -1.285   1.554  -0.573  1.00  0.00           N  
ATOM    243  CA  LEU A  15      -2.054   2.481   0.270  1.00  0.00           C  
ATOM    244  C   LEU A  15      -2.227   1.970   1.721  1.00  0.00           C  
ATOM    245  O   LEU A  15      -1.947   2.732   2.667  1.00  0.00           O  
ATOM    246  CB  LEU A  15      -3.355   3.008  -0.409  1.00  0.00           C  
ATOM    247  CG  LEU A  15      -2.983   3.908  -1.584  1.00  0.00           C  
ATOM    248  CD1 LEU A  15      -4.059   3.952  -2.624  1.00  0.00           C  
ATOM    249  CD2 LEU A  15      -2.611   5.267  -1.018  1.00  0.00           C  
ATOM    250  H   LEU A  15      -1.850   1.183  -1.306  1.00  0.00           H  
ATOM    251  HA  LEU A  15      -1.344   3.281   0.421  1.00  0.00           H  
ATOM    252  HB2 LEU A  15      -3.774   2.171  -1.008  1.00  0.00           H  
ATOM    253  HB3 LEU A  15      -4.072   3.526   0.262  1.00  0.00           H  
ATOM    254  HG  LEU A  15      -2.054   3.534  -2.065  1.00  0.00           H  
ATOM    255 HD11 LEU A  15      -3.758   4.586  -3.485  1.00  0.00           H  
ATOM    256 HD12 LEU A  15      -5.081   4.315  -2.383  1.00  0.00           H  
ATOM    257 HD13 LEU A  15      -4.138   2.912  -3.006  1.00  0.00           H  
ATOM    258 HD21 LEU A  15      -1.912   5.218  -0.156  1.00  0.00           H  
ATOM    259 HD22 LEU A  15      -3.517   5.875  -0.807  1.00  0.00           H  
ATOM    260 HD23 LEU A  15      -2.028   5.836  -1.774  1.00  0.00           H  
ATOM    261  N   ILE A  16      -2.632   0.697   1.875  1.00  0.00           N  
ATOM    262  CA  ILE A  16      -2.627   0.061   3.194  1.00  0.00           C  
ATOM    263  C   ILE A  16      -1.206  -0.159   3.853  1.00  0.00           C  
ATOM    264  O   ILE A  16      -1.010   0.200   5.003  1.00  0.00           O  
ATOM    265  CB  ILE A  16      -3.566  -1.230   3.344  1.00  0.00           C  
ATOM    266  CG1 ILE A  16      -4.946  -1.167   2.629  1.00  0.00           C  
ATOM    267  CG2 ILE A  16      -3.635  -1.442   4.926  1.00  0.00           C  
ATOM    268  CD1 ILE A  16      -5.897  -2.383   2.879  1.00  0.00           C  
ATOM    269  H   ILE A  16      -2.796  -0.001   1.182  1.00  0.00           H  
ATOM    270  HA  ILE A  16      -3.027   0.744   3.929  1.00  0.00           H  
ATOM    271  HB  ILE A  16      -2.982  -2.133   3.065  1.00  0.00           H  
ATOM    272 HG12 ILE A  16      -5.503  -0.221   2.795  1.00  0.00           H  
ATOM    273 HG13 ILE A  16      -4.762  -1.325   1.545  1.00  0.00           H  
ATOM    274 HG21 ILE A  16      -4.149  -0.554   5.351  1.00  0.00           H  
ATOM    275 HG22 ILE A  16      -2.735  -1.384   5.575  1.00  0.00           H  
ATOM    276 HG23 ILE A  16      -4.183  -2.354   5.246  1.00  0.00           H  
ATOM    277 HD11 ILE A  16      -6.794  -2.369   2.225  1.00  0.00           H  
ATOM    278 HD12 ILE A  16      -5.388  -3.345   2.655  1.00  0.00           H  
ATOM    279 HD13 ILE A  16      -6.208  -2.331   3.944  1.00  0.00           H  
ATOM    280  N   SER A  17      -0.193  -0.491   3.031  1.00  0.00           N  
ATOM    281  CA  SER A  17       1.156  -0.550   3.468  1.00  0.00           C  
ATOM    282  C   SER A  17       1.662   0.827   3.895  1.00  0.00           C  
ATOM    283  O   SER A  17       2.250   0.957   4.911  1.00  0.00           O  
ATOM    284  CB  SER A  17       2.199  -1.000   2.441  1.00  0.00           C  
ATOM    285  OG  SER A  17       2.137  -2.376   2.067  1.00  0.00           O  
ATOM    286  H   SER A  17      -0.459  -0.721   2.098  1.00  0.00           H  
ATOM    287  HA  SER A  17       1.171  -1.219   4.315  1.00  0.00           H  
ATOM    288  HB2 SER A  17       2.018  -0.427   1.507  1.00  0.00           H  
ATOM    289  HB3 SER A  17       3.271  -0.896   2.714  1.00  0.00           H  
ATOM    290  HG  SER A  17       1.359  -2.333   1.506  1.00  0.00           H  
ATOM    291  N   LEU A  18       1.333   1.848   3.132  1.00  0.00           N  
ATOM    292  CA  LEU A  18       1.634   3.218   3.468  1.00  0.00           C  
ATOM    293  C   LEU A  18       1.025   3.769   4.834  1.00  0.00           C  
ATOM    294  O   LEU A  18       1.746   4.401   5.648  1.00  0.00           O  
ATOM    295  CB  LEU A  18       1.189   4.167   2.295  1.00  0.00           C  
ATOM    296  CG  LEU A  18       1.582   5.623   2.376  1.00  0.00           C  
ATOM    297  CD1 LEU A  18       3.109   5.705   2.605  1.00  0.00           C  
ATOM    298  CD2 LEU A  18       1.122   6.440   1.179  1.00  0.00           C  
ATOM    299  H   LEU A  18       0.843   1.755   2.269  1.00  0.00           H  
ATOM    300  HA  LEU A  18       2.709   3.309   3.513  1.00  0.00           H  
ATOM    301  HB2 LEU A  18       1.700   3.649   1.455  1.00  0.00           H  
ATOM    302  HB3 LEU A  18       0.099   4.181   2.085  1.00  0.00           H  
ATOM    303  HG  LEU A  18       1.073   5.947   3.309  1.00  0.00           H  
ATOM    304 HD11 LEU A  18       3.407   5.300   3.596  1.00  0.00           H  
ATOM    305 HD12 LEU A  18       3.463   6.723   2.338  1.00  0.00           H  
ATOM    306 HD13 LEU A  18       3.557   4.938   1.938  1.00  0.00           H  
ATOM    307 HD21 LEU A  18       1.591   5.946   0.301  1.00  0.00           H  
ATOM    308 HD22 LEU A  18       1.565   7.448   1.324  1.00  0.00           H  
ATOM    309 HD23 LEU A  18       0.018   6.435   1.054  1.00  0.00           H  
ATOM    310  N   LEU A  19      -0.251   3.624   5.060  1.00  0.00           N  
ATOM    311  CA  LEU A  19      -1.047   3.719   6.265  1.00  0.00           C  
ATOM    312  C   LEU A  19      -0.435   3.007   7.512  1.00  0.00           C  
ATOM    313  O   LEU A  19      -0.110   3.626   8.461  1.00  0.00           O  
ATOM    314  CB  LEU A  19      -2.504   3.273   6.034  1.00  0.00           C  
ATOM    315  CG  LEU A  19      -3.532   3.581   7.238  1.00  0.00           C  
ATOM    316  CD1 LEU A  19      -3.449   5.037   7.699  1.00  0.00           C  
ATOM    317  CD2 LEU A  19      -4.965   3.105   6.731  1.00  0.00           C  
ATOM    318  H   LEU A  19      -0.807   3.250   4.321  1.00  0.00           H  
ATOM    319  HA  LEU A  19      -1.051   4.784   6.444  1.00  0.00           H  
ATOM    320  HB2 LEU A  19      -2.923   3.742   5.118  1.00  0.00           H  
ATOM    321  HB3 LEU A  19      -2.457   2.167   5.936  1.00  0.00           H  
ATOM    322  HG  LEU A  19      -3.370   2.920   8.116  1.00  0.00           H  
ATOM    323 HD11 LEU A  19      -2.421   5.363   7.964  1.00  0.00           H  
ATOM    324 HD12 LEU A  19      -4.207   5.279   8.474  1.00  0.00           H  
ATOM    325 HD13 LEU A  19      -3.760   5.723   6.883  1.00  0.00           H  
ATOM    326 HD21 LEU A  19      -4.845   2.070   6.346  1.00  0.00           H  
ATOM    327 HD22 LEU A  19      -5.308   3.755   5.898  1.00  0.00           H  
ATOM    328 HD23 LEU A  19      -5.687   3.084   7.575  1.00  0.00           H  
ATOM    329  N   VAL A  20      -0.087   1.724   7.406  1.00  0.00           N  
ATOM    330  CA  VAL A  20       0.823   1.045   8.327  1.00  0.00           C  
ATOM    331  C   VAL A  20       2.192   1.766   8.590  1.00  0.00           C  
ATOM    332  O   VAL A  20       2.553   1.913   9.769  1.00  0.00           O  
ATOM    333  CB  VAL A  20       1.036  -0.381   7.845  1.00  0.00           C  
ATOM    334  CG1 VAL A  20       2.055  -1.069   8.739  1.00  0.00           C  
ATOM    335  CG2 VAL A  20      -0.344  -1.180   7.905  1.00  0.00           C  
ATOM    336  H   VAL A  20      -0.288   1.201   6.581  1.00  0.00           H  
ATOM    337  HA  VAL A  20       0.366   0.925   9.299  1.00  0.00           H  
ATOM    338  HB  VAL A  20       1.378  -0.330   6.789  1.00  0.00           H  
ATOM    339 HG11 VAL A  20       1.722  -0.960   9.793  1.00  0.00           H  
ATOM    340 HG12 VAL A  20       3.113  -0.737   8.671  1.00  0.00           H  
ATOM    341 HG13 VAL A  20       2.047  -2.156   8.507  1.00  0.00           H  
ATOM    342 HG21 VAL A  20      -1.139  -0.669   7.320  1.00  0.00           H  
ATOM    343 HG22 VAL A  20      -0.803  -1.125   8.915  1.00  0.00           H  
ATOM    344 HG23 VAL A  20      -0.324  -2.255   7.623  1.00  0.00           H  
ATOM    345  N   LEU A  21       2.932   2.173   7.535  1.00  0.00           N  
ATOM    346  CA  LEU A  21       4.161   2.933   7.723  1.00  0.00           C  
ATOM    347  C   LEU A  21       3.922   4.201   8.529  1.00  0.00           C  
ATOM    348  O   LEU A  21       4.626   4.361   9.500  1.00  0.00           O  
ATOM    349  CB  LEU A  21       4.823   3.204   6.302  1.00  0.00           C  
ATOM    350  CG  LEU A  21       6.147   4.033   6.195  1.00  0.00           C  
ATOM    351  CD1 LEU A  21       7.322   3.464   7.047  1.00  0.00           C  
ATOM    352  CD2 LEU A  21       6.485   4.115   4.659  1.00  0.00           C  
ATOM    353  H   LEU A  21       2.719   1.991   6.579  1.00  0.00           H  
ATOM    354  HA  LEU A  21       4.806   2.342   8.357  1.00  0.00           H  
ATOM    355  HB2 LEU A  21       4.979   2.220   5.811  1.00  0.00           H  
ATOM    356  HB3 LEU A  21       4.028   3.729   5.732  1.00  0.00           H  
ATOM    357  HG  LEU A  21       5.912   5.053   6.568  1.00  0.00           H  
ATOM    358 HD11 LEU A  21       7.235   3.540   8.152  1.00  0.00           H  
ATOM    359 HD12 LEU A  21       8.305   3.922   6.804  1.00  0.00           H  
ATOM    360 HD13 LEU A  21       7.365   2.359   6.943  1.00  0.00           H  
ATOM    361 HD21 LEU A  21       5.768   4.507   3.907  1.00  0.00           H  
ATOM    362 HD22 LEU A  21       6.636   3.044   4.405  1.00  0.00           H  
ATOM    363 HD23 LEU A  21       7.416   4.672   4.421  1.00  0.00           H  
ATOM    364  N   CYS A  22       2.828   5.054   8.197  1.00  0.00           N  
ATOM    365  CA  CYS A  22       2.622   6.306   8.831  1.00  0.00           C  
ATOM    366  C   CYS A  22       2.393   6.084  10.299  1.00  0.00           C  
ATOM    367  O   CYS A  22       2.884   6.741  11.203  1.00  0.00           O  
ATOM    368  CB  CYS A  22       1.554   7.131   8.129  1.00  0.00           C  
ATOM    369  SG  CYS A  22       2.118   7.532   6.476  1.00  0.00           S  
ATOM    370  H   CYS A  22       2.440   4.949   7.285  1.00  0.00           H  
ATOM    371  HA  CYS A  22       3.579   6.787   8.691  1.00  0.00           H  
ATOM    372  HB2 CYS A  22       0.678   6.451   8.051  1.00  0.00           H  
ATOM    373  HB3 CYS A  22       1.334   8.020   8.758  1.00  0.00           H  
ATOM    374  HG  CYS A  22       1.995   6.260   6.127  1.00  0.00           H  
ATOM    375  N   LEU A  23       1.610   5.100  10.620  1.00  0.00           N  
ATOM    376  CA  LEU A  23       1.193   4.798  11.942  1.00  0.00           C  
ATOM    377  C   LEU A  23       2.298   4.301  12.813  1.00  0.00           C  
ATOM    378  O   LEU A  23       2.354   4.615  14.043  1.00  0.00           O  
ATOM    379  CB  LEU A  23       0.035   3.827  12.026  1.00  0.00           C  
ATOM    380  CG  LEU A  23      -1.326   4.230  11.369  1.00  0.00           C  
ATOM    381  CD1 LEU A  23      -2.290   3.066  10.782  1.00  0.00           C  
ATOM    382  CD2 LEU A  23      -2.121   5.228  12.196  1.00  0.00           C  
ATOM    383  H   LEU A  23       1.079   4.547   9.983  1.00  0.00           H  
ATOM    384  HA  LEU A  23       0.936   5.760  12.361  1.00  0.00           H  
ATOM    385  HB2 LEU A  23       0.299   2.816  11.647  1.00  0.00           H  
ATOM    386  HB3 LEU A  23      -0.219   3.522  13.064  1.00  0.00           H  
ATOM    387  HG  LEU A  23      -1.077   4.728  10.408  1.00  0.00           H  
ATOM    388 HD11 LEU A  23      -3.115   3.562  10.227  1.00  0.00           H  
ATOM    389 HD12 LEU A  23      -2.641   2.349  11.556  1.00  0.00           H  
ATOM    390 HD13 LEU A  23      -1.875   2.448   9.957  1.00  0.00           H  
ATOM    391 HD21 LEU A  23      -2.464   4.732  13.129  1.00  0.00           H  
ATOM    392 HD22 LEU A  23      -3.050   5.544  11.674  1.00  0.00           H  
ATOM    393 HD23 LEU A  23      -1.539   6.038  12.685  1.00  0.00           H  
ATOM    394  N   ALA A  24       3.151   3.413  12.243  1.00  0.00           N  
ATOM    395  CA  ALA A  24       4.334   2.817  12.922  1.00  0.00           C  
ATOM    396  C   ALA A  24       5.425   3.835  13.154  1.00  0.00           C  
ATOM    397  O   ALA A  24       6.163   3.745  14.060  1.00  0.00           O  
ATOM    398  CB  ALA A  24       4.893   1.731  11.976  1.00  0.00           C  
ATOM    399  H   ALA A  24       2.984   3.061  11.326  1.00  0.00           H  
ATOM    400  HA  ALA A  24       4.195   2.517  13.950  1.00  0.00           H  
ATOM    401  HB1 ALA A  24       5.250   2.027  10.966  1.00  0.00           H  
ATOM    402  HB2 ALA A  24       4.114   0.964  11.774  1.00  0.00           H  
ATOM    403  HB3 ALA A  24       5.820   1.430  12.510  1.00  0.00           H  
ATOM    404  N   LEU A  25       5.549   4.841  12.225  1.00  0.00           N  
ATOM    405  CA  LEU A  25       6.390   6.019  12.400  1.00  0.00           C  
ATOM    406  C   LEU A  25       5.855   6.920  13.466  1.00  0.00           C  
ATOM    407  O   LEU A  25       6.577   7.462  14.283  1.00  0.00           O  
ATOM    408  CB  LEU A  25       6.601   6.735  11.000  1.00  0.00           C  
ATOM    409  CG  LEU A  25       7.541   6.138  10.058  1.00  0.00           C  
ATOM    410  CD1 LEU A  25       7.451   6.912   8.740  1.00  0.00           C  
ATOM    411  CD2 LEU A  25       9.026   6.099  10.661  1.00  0.00           C  
ATOM    412  H   LEU A  25       4.984   4.821  11.404  1.00  0.00           H  
ATOM    413  HA  LEU A  25       7.344   5.747  12.826  1.00  0.00           H  
ATOM    414  HB2 LEU A  25       5.572   6.835  10.594  1.00  0.00           H  
ATOM    415  HB3 LEU A  25       7.004   7.748  11.211  1.00  0.00           H  
ATOM    416  HG  LEU A  25       7.257   5.115   9.728  1.00  0.00           H  
ATOM    417 HD11 LEU A  25       8.035   6.445   7.918  1.00  0.00           H  
ATOM    418 HD12 LEU A  25       7.846   7.944   8.847  1.00  0.00           H  
ATOM    419 HD13 LEU A  25       6.393   7.119   8.469  1.00  0.00           H  
ATOM    420 HD21 LEU A  25       8.960   5.174  11.273  1.00  0.00           H  
ATOM    421 HD22 LEU A  25       9.230   7.005  11.272  1.00  0.00           H  
ATOM    422 HD23 LEU A  25       9.721   5.870   9.825  1.00  0.00           H  
ATOM    423  N   TRP A  26       4.533   7.255  13.493  1.00  0.00           N  
ATOM    424  CA  TRP A  26       4.033   8.263  14.355  1.00  0.00           C  
ATOM    425  C   TRP A  26       3.972   7.820  15.865  1.00  0.00           C  
ATOM    426  O   TRP A  26       4.443   8.539  16.754  1.00  0.00           O  
ATOM    427  CB  TRP A  26       2.561   8.409  13.898  1.00  0.00           C  
ATOM    428  CG  TRP A  26       1.668   9.473  14.599  1.00  0.00           C  
ATOM    429  CD1 TRP A  26       2.021  10.663  15.177  1.00  0.00           C  
ATOM    430  CD2 TRP A  26       0.218   9.362  14.658  1.00  0.00           C  
ATOM    431  NE1 TRP A  26       0.902  11.293  15.543  1.00  0.00           N  
ATOM    432  CE2 TRP A  26      -0.195  10.518  15.257  1.00  0.00           C  
ATOM    433  CE3 TRP A  26      -0.681   8.394  14.186  1.00  0.00           C  
ATOM    434  CZ2 TRP A  26      -1.552  10.757  15.376  1.00  0.00           C  
ATOM    435  CZ3 TRP A  26      -2.021   8.620  14.382  1.00  0.00           C  
ATOM    436  CH2 TRP A  26      -2.448   9.812  14.948  1.00  0.00           C  
ATOM    437  H   TRP A  26       3.871   6.903  12.836  1.00  0.00           H  
ATOM    438  HA  TRP A  26       4.580   9.191  14.275  1.00  0.00           H  
ATOM    439  HB2 TRP A  26       2.375   8.581  12.816  1.00  0.00           H  
ATOM    440  HB3 TRP A  26       2.100   7.412  14.063  1.00  0.00           H  
ATOM    441  HD1 TRP A  26       3.000  10.985  15.497  1.00  0.00           H  
ATOM    442  HE1 TRP A  26       0.778  12.071  16.119  1.00  0.00           H  
ATOM    443  HE3 TRP A  26      -0.281   7.498  13.736  1.00  0.00           H  
ATOM    444  HZ2 TRP A  26      -1.946  11.632  15.873  1.00  0.00           H  
ATOM    445  HZ3 TRP A  26      -2.783   7.974  13.973  1.00  0.00           H  
ATOM    446  HH2 TRP A  26      -3.495   9.823  15.212  1.00  0.00           H  
ATOM    447  N   GLN A  27       3.457   6.647  16.117  1.00  0.00           N  
ATOM    448  CA  GLN A  27       3.261   6.180  17.422  1.00  0.00           C  
ATOM    449  C   GLN A  27       3.544   4.651  17.562  1.00  0.00           C  
ATOM    450  O   GLN A  27       3.589   3.909  16.603  1.00  0.00           O  
ATOM    451  CB  GLN A  27       1.775   6.488  17.785  1.00  0.00           C  
ATOM    452  CG  GLN A  27       0.654   5.960  16.824  1.00  0.00           C  
ATOM    453  CD  GLN A  27      -0.706   6.146  17.512  1.00  0.00           C  
ATOM    454  OE1 GLN A  27      -0.985   5.916  18.700  1.00  0.00           O  
ATOM    455  NE2 GLN A  27      -1.652   6.570  16.622  1.00  0.00           N  
ATOM    456  H   GLN A  27       3.254   5.979  15.406  1.00  0.00           H  
ATOM    457  HA  GLN A  27       3.940   6.690  18.090  1.00  0.00           H  
ATOM    458  HB2 GLN A  27       1.498   6.165  18.811  1.00  0.00           H  
ATOM    459  HB3 GLN A  27       1.722   7.597  17.837  1.00  0.00           H  
ATOM    460  HG2 GLN A  27       0.744   6.543  15.883  1.00  0.00           H  
ATOM    461  HG3 GLN A  27       0.794   4.873  16.640  1.00  0.00           H  
ATOM    462 HE21 GLN A  27      -1.359   6.785  15.690  1.00  0.00           H  
ATOM    463 HE22 GLN A  27      -2.597   6.470  16.935  1.00  0.00           H  
ATOM    464  N   ILE A  28       3.586   4.159  18.826  1.00  0.00           N  
ATOM    465  CA  ILE A  28       3.793   2.790  19.234  1.00  0.00           C  
ATOM    466  C   ILE A  28       5.103   2.207  18.934  1.00  0.00           C  
ATOM    467  O   ILE A  28       5.403   1.781  17.817  1.00  0.00           O  
ATOM    468  CB  ILE A  28       2.541   1.884  18.988  1.00  0.00           C  
ATOM    469  CG1 ILE A  28       1.274   2.604  19.329  1.00  0.00           C  
ATOM    470  CG2 ILE A  28       2.617   0.556  19.708  1.00  0.00           C  
ATOM    471  CD1 ILE A  28      -0.002   1.872  18.841  1.00  0.00           C  
ATOM    472  H   ILE A  28       3.436   4.766  19.602  1.00  0.00           H  
ATOM    473  HA  ILE A  28       3.650   2.714  20.302  1.00  0.00           H  
ATOM    474  HB  ILE A  28       2.391   1.672  17.908  1.00  0.00           H  
ATOM    475 HG12 ILE A  28       1.074   2.754  20.411  1.00  0.00           H  
ATOM    476 HG13 ILE A  28       1.247   3.569  18.780  1.00  0.00           H  
ATOM    477 HG21 ILE A  28       1.783  -0.093  19.366  1.00  0.00           H  
ATOM    478 HG22 ILE A  28       2.446   0.628  20.803  1.00  0.00           H  
ATOM    479 HG23 ILE A  28       3.614   0.074  19.613  1.00  0.00           H  
ATOM    480 HD11 ILE A  28      -0.916   2.392  19.198  1.00  0.00           H  
ATOM    481 HD12 ILE A  28       0.027   1.836  17.731  1.00  0.00           H  
ATOM    482 HD13 ILE A  28      -0.050   0.869  19.317  1.00  0.00           H  
ATOM    483  N   VAL A  29       5.938   2.098  19.964  1.00  0.00           N  
ATOM    484  CA  VAL A  29       7.265   1.563  19.921  1.00  0.00           C  
ATOM    485  C   VAL A  29       7.252   0.041  20.252  1.00  0.00           C  
ATOM    486  O   VAL A  29       6.630  -0.446  21.213  1.00  0.00           O  
ATOM    487  CB  VAL A  29       8.142   2.234  20.871  1.00  0.00           C  
ATOM    488  CG1 VAL A  29       9.602   1.876  20.725  1.00  0.00           C  
ATOM    489  CG2 VAL A  29       8.106   3.761  20.727  1.00  0.00           C  
ATOM    490  H   VAL A  29       5.575   2.490  20.806  1.00  0.00           H  
ATOM    491  HA  VAL A  29       7.560   1.742  18.898  1.00  0.00           H  
ATOM    492  HB  VAL A  29       7.842   1.950  21.902  1.00  0.00           H  
ATOM    493 HG11 VAL A  29       9.785   0.792  20.889  1.00  0.00           H  
ATOM    494 HG12 VAL A  29      10.299   2.528  21.293  1.00  0.00           H  
ATOM    495 HG13 VAL A  29       9.926   1.936  19.664  1.00  0.00           H  
ATOM    496 HG21 VAL A  29       7.227   4.175  21.266  1.00  0.00           H  
ATOM    497 HG22 VAL A  29       8.049   4.092  19.668  1.00  0.00           H  
ATOM    498 HG23 VAL A  29       9.058   4.181  21.115  1.00  0.00           H  
ATOM    499  N   PHE A  30       7.898  -0.756  19.408  1.00  0.00           N  
ATOM    500  CA  PHE A  30       7.953  -2.168  19.469  1.00  0.00           C  
ATOM    501  C   PHE A  30       9.329  -2.647  20.059  1.00  0.00           C  
ATOM    502  O   PHE A  30       9.306  -2.994  21.212  1.00  0.00           O  
ATOM    503  CB  PHE A  30       7.772  -2.685  18.105  1.00  0.00           C  
ATOM    504  CG  PHE A  30       6.490  -2.107  17.389  1.00  0.00           C  
ATOM    505  CD1 PHE A  30       5.155  -2.267  17.946  1.00  0.00           C  
ATOM    506  CD2 PHE A  30       6.619  -1.261  16.303  1.00  0.00           C  
ATOM    507  CE1 PHE A  30       4.029  -1.868  17.283  1.00  0.00           C  
ATOM    508  CE2 PHE A  30       5.501  -0.847  15.574  1.00  0.00           C  
ATOM    509  CZ  PHE A  30       4.167  -1.089  16.079  1.00  0.00           C  
ATOM    510  OXT PHE A  30      10.382  -2.713  19.378  1.00  0.00           O  
ATOM    511  H   PHE A  30       8.374  -0.313  18.652  1.00  0.00           H  
ATOM    512  HA  PHE A  30       7.150  -2.584  20.059  1.00  0.00           H  
ATOM    513  HB2 PHE A  30       8.617  -2.419  17.434  1.00  0.00           H  
ATOM    514  HB3 PHE A  30       7.738  -3.789  18.221  1.00  0.00           H  
ATOM    515  HD1 PHE A  30       5.005  -2.787  18.880  1.00  0.00           H  
ATOM    516  HD2 PHE A  30       7.529  -1.136  15.736  1.00  0.00           H  
ATOM    517  HE1 PHE A  30       3.042  -2.050  17.682  1.00  0.00           H  
ATOM    518  HE2 PHE A  30       5.564  -0.210  14.705  1.00  0.00           H  
ATOM    519  HZ  PHE A  30       3.315  -0.814  15.475  1.00  0.00           H  
TER     520      PHE A  30                                                      
MASTER      122    0    0    2    0    0    0    6  243    1    0    3          
END