HEADER    ANTIFUNGAL PROTEIN                      12-NOV-06   2E2F              
TITLE     SOLUTION STRUCTURE OF DSP                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DIAPAUSIN;                                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: DIAPAUSE-SPECIFIC PEPTIDE, DSP                              
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: GASTROPHYSA ATROCYANEA;                         
SOURCE   3 ORGANISM_COMMON: LEAF BEETLE;                                        
SOURCE   4 ORGANISM_TAXID: 169758                                               
KEYWDS    CA-CHANNEL BLOCKER, ANTIFUNGAL PEPTIDE, STRUCTURAL GENOMICS,          
KEYWDS   2 ANTIFUNGAL PROTEIN                                                   
EXPDTA    SOLUTION NMR                                                          
AUTHOR    T.KOUNO,M.MIZUGUCHI,K.SUZUKI,K.KAWANO                                 
REVDAT   7   15-MAY-24 2E2F    1       REMARK                                   
REVDAT   6   14-JUN-23 2E2F    1       REMARK                                   
REVDAT   5   09-NOV-22 2E2F    1       REMARK HELIX  SHEET  SSBOND              
REVDAT   5 2                   1       ATOM                                     
REVDAT   4   26-FEB-20 2E2F    1       REMARK                                   
REVDAT   3   24-FEB-09 2E2F    1       VERSN                                    
REVDAT   2   17-JUN-08 2E2F    1       JRNL                                     
REVDAT   1   13-NOV-07 2E2F    0                                                
JRNL        AUTH   T.KOUNO,M.MIZUGUCHI,H.TANAKA,P.YANG,Y.MORI,H.SHINODA,        
JRNL        AUTH 2 K.UNOKI,T.AIZAWA,M.DEMURA,K.SUZUKI,K.KAWANO                  
JRNL        TITL   THE STRUCTURE OF A NOVEL INSECT PEPTIDE EXPLAINS ITS CA2+    
JRNL        TITL 2 CHANNEL BLOCKING AND ANTIFUNGAL ACTIVITIES                   
JRNL        REF    BIOCHEMISTRY                  V.  46 13733 2007              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   17994764                                                     
JRNL        DOI    10.1021/BI701319T                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1F                                          
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2E2F COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-NOV-06.                  
REMARK 100 THE DEPOSITION ID IS D_1000026139.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.15MM DSP; 10MM PHOSPHATE         
REMARK 210                                   BUFFER NA; 50MM NACL; 95% H2O, 5%  
REMARK 210                                   D2O; 0.15MM DSP; 10MM PHOSPHATE    
REMARK 210                                   BUFFER NA; 50MM NACL; 100% D2O     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY; 2D TOCSY; 2D NOESY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 2.2, PIPP 4.3.2, NMRVIEW   
REMARK 210                                   5.0.3, CYANA 2.1, X-PLOR 3.1F      
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 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: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   SG   CYS A    22     SG   CYS A    40              2.02            
REMARK 500   SG   CYS A    11     SG   CYS A    33              2.02            
REMARK 500   SG   CYS A     7     SG   CYS A    21              2.02            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ARG A  13     -164.29    -71.36                                   
REMARK 500    ILE A  14     -154.08    -71.20                                   
REMARK 500    ALA A  31      -65.41   -105.83                                   
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   3         0.31    SIDE CHAIN                              
REMARK 500    ARG A  13         0.32    SIDE CHAIN                              
REMARK 500    ARG A  18         0.32    SIDE CHAIN                              
REMARK 500    ARG A  23         0.32    SIDE CHAIN                              
REMARK 500    ARG A  27         0.29    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 6729   RELATED DB: BMRB                                  
DBREF  2E2F A    1    41  UNP    Q8T0W8   DIAP_GASAT      25     65             
SEQRES   1 A   41  ALA VAL ARG ILE GLY PRO CYS ASP GLN VAL CYS PRO ARG          
SEQRES   2 A   41  ILE VAL PRO GLU ARG HIS GLU CYS CYS ARG ALA HIS GLY          
SEQRES   3 A   41  ARG SER GLY TYR ALA TYR CYS SER GLY GLY GLY MET TYR          
SEQRES   4 A   41  CYS ASN                                                      
HELIX    1   1 PRO A    6  CYS A   11  1                                   6    
HELIX    2   2 VAL A   15  HIS A   25  1                                  11    
SHEET    1   A 3 VAL A   2  ARG A   3  0                                        
SHEET    2   A 3 GLY A  37  CYS A  40 -1  O  CYS A  40   N  VAL A   2           
SHEET    3   A 3 TYR A  30  SER A  34 -1  N  TYR A  32   O  TYR A  39           
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   ALA A   1     -11.242   3.637   2.272  1.00  1.49           N  
ATOM      2  CA  ALA A   1     -10.029   2.768   2.184  1.00  0.72           C  
ATOM      3  C   ALA A   1     -10.251   1.645   1.162  1.00  0.59           C  
ATOM      4  O   ALA A   1     -11.248   0.946   1.203  1.00  0.71           O  
ATOM      5  CB  ALA A   1      -9.844   2.187   3.589  1.00  1.53           C  
ATOM      6  H1  ALA A   1     -11.431   4.063   1.343  1.00  1.99           H  
ATOM      7  H2  ALA A   1     -11.079   4.390   2.973  1.00  2.09           H  
ATOM      8  H3  ALA A   1     -12.061   3.065   2.561  1.00  1.97           H  
ATOM      9  HA  ALA A   1      -9.166   3.356   1.913  1.00  1.26           H  
ATOM     10  HB1 ALA A   1      -9.671   2.990   4.290  1.00  2.03           H  
ATOM     11  HB2 ALA A   1      -8.996   1.517   3.593  1.00  2.10           H  
ATOM     12  HB3 ALA A   1     -10.732   1.645   3.875  1.00  2.10           H  
ATOM     13  N   VAL A   2      -9.327   1.470   0.247  1.00  0.45           N  
ATOM     14  CA  VAL A   2      -9.474   0.393  -0.787  1.00  0.37           C  
ATOM     15  C   VAL A   2      -8.155  -0.373  -0.955  1.00  0.28           C  
ATOM     16  O   VAL A   2      -7.194  -0.132  -0.250  1.00  0.37           O  
ATOM     17  CB  VAL A   2      -9.849   1.112  -2.093  1.00  0.46           C  
ATOM     18  CG1 VAL A   2     -11.258   1.695  -1.971  1.00  0.59           C  
ATOM     19  CG2 VAL A   2      -8.852   2.243  -2.384  1.00  0.52           C  
ATOM     20  H   VAL A   2      -8.534   2.048   0.238  1.00  0.50           H  
ATOM     21  HA  VAL A   2     -10.263  -0.288  -0.506  1.00  0.43           H  
ATOM     22  HB  VAL A   2      -9.831   0.401  -2.907  1.00  0.52           H  
ATOM     23 HG11 VAL A   2     -11.933   0.931  -1.614  1.00  1.10           H  
ATOM     24 HG12 VAL A   2     -11.588   2.044  -2.938  1.00  1.35           H  
ATOM     25 HG13 VAL A   2     -11.247   2.520  -1.274  1.00  1.11           H  
ATOM     26 HG21 VAL A   2      -7.845   1.886  -2.227  1.00  1.10           H  
ATOM     27 HG22 VAL A   2      -9.046   3.074  -1.721  1.00  1.19           H  
ATOM     28 HG23 VAL A   2      -8.964   2.567  -3.408  1.00  1.18           H  
ATOM     29  N   ARG A   3      -8.108  -1.294  -1.886  1.00  0.31           N  
ATOM     30  CA  ARG A   3      -6.856  -2.082  -2.108  1.00  0.32           C  
ATOM     31  C   ARG A   3      -6.156  -1.626  -3.395  1.00  0.31           C  
ATOM     32  O   ARG A   3      -6.793  -1.285  -4.375  1.00  0.46           O  
ATOM     33  CB  ARG A   3      -7.318  -3.538  -2.229  1.00  0.45           C  
ATOM     34  CG  ARG A   3      -6.122  -4.440  -2.560  1.00  0.98           C  
ATOM     35  CD  ARG A   3      -6.016  -5.561  -1.523  1.00  0.77           C  
ATOM     36  NE  ARG A   3      -7.067  -6.548  -1.906  1.00  1.08           N  
ATOM     37  CZ  ARG A   3      -6.724  -7.721  -2.369  1.00  1.25           C  
ATOM     38  NH1 ARG A   3      -6.788  -8.773  -1.593  1.00  1.81           N  
ATOM     39  NH2 ARG A   3      -6.318  -7.843  -3.607  1.00  1.99           N  
ATOM     40  H   ARG A   3      -8.899  -1.467  -2.441  1.00  0.45           H  
ATOM     41  HA  ARG A   3      -6.193  -1.978  -1.264  1.00  0.32           H  
ATOM     42  HB2 ARG A   3      -7.758  -3.853  -1.294  1.00  0.80           H  
ATOM     43  HB3 ARG A   3      -8.054  -3.619  -3.015  1.00  0.71           H  
ATOM     44  HG2 ARG A   3      -6.257  -4.870  -3.542  1.00  1.65           H  
ATOM     45  HG3 ARG A   3      -5.214  -3.856  -2.546  1.00  1.60           H  
ATOM     46  HD2 ARG A   3      -5.036  -6.015  -1.564  1.00  1.09           H  
ATOM     47  HD3 ARG A   3      -6.212  -5.178  -0.534  1.00  0.97           H  
ATOM     48  HE  ARG A   3      -8.015  -6.316  -1.811  1.00  1.72           H  
ATOM     49 HH11 ARG A   3      -7.099  -8.679  -0.646  1.00  2.27           H  
ATOM     50 HH12 ARG A   3      -6.527  -9.672  -1.945  1.00  2.27           H  
ATOM     51 HH21 ARG A   3      -6.269  -7.038  -4.199  1.00  2.48           H  
ATOM     52 HH22 ARG A   3      -6.055  -8.741  -3.962  1.00  2.47           H  
ATOM     53  N   ILE A   4      -4.844  -1.630  -3.395  1.00  0.24           N  
ATOM     54  CA  ILE A   4      -4.081  -1.212  -4.612  1.00  0.25           C  
ATOM     55  C   ILE A   4      -3.460  -2.450  -5.287  1.00  0.33           C  
ATOM     56  O   ILE A   4      -3.426  -3.526  -4.717  1.00  0.95           O  
ATOM     57  CB  ILE A   4      -3.004  -0.249  -4.087  1.00  0.25           C  
ATOM     58  CG1 ILE A   4      -3.650   1.088  -3.695  1.00  0.37           C  
ATOM     59  CG2 ILE A   4      -1.936  -0.001  -5.158  1.00  0.26           C  
ATOM     60  CD1 ILE A   4      -4.286   1.746  -4.921  1.00  0.45           C  
ATOM     61  H   ILE A   4      -4.359  -1.917  -2.593  1.00  0.30           H  
ATOM     62  HA  ILE A   4      -4.730  -0.697  -5.303  1.00  0.32           H  
ATOM     63  HB  ILE A   4      -2.540  -0.684  -3.218  1.00  0.29           H  
ATOM     64 HG12 ILE A   4      -4.410   0.913  -2.948  1.00  0.39           H  
ATOM     65 HG13 ILE A   4      -2.894   1.744  -3.291  1.00  0.45           H  
ATOM     66 HG21 ILE A   4      -1.307   0.823  -4.856  1.00  1.01           H  
ATOM     67 HG22 ILE A   4      -2.414   0.237  -6.096  1.00  1.03           H  
ATOM     68 HG23 ILE A   4      -1.332  -0.889  -5.277  1.00  1.02           H  
ATOM     69 HD11 ILE A   4      -3.845   1.341  -5.820  1.00  1.19           H  
ATOM     70 HD12 ILE A   4      -4.113   2.812  -4.886  1.00  1.08           H  
ATOM     71 HD13 ILE A   4      -5.348   1.553  -4.922  1.00  1.09           H  
ATOM     72  N   GLY A   5      -2.992  -2.303  -6.505  1.00  0.52           N  
ATOM     73  CA  GLY A   5      -2.395  -3.456  -7.248  1.00  0.48           C  
ATOM     74  C   GLY A   5      -1.154  -4.020  -6.534  1.00  0.38           C  
ATOM     75  O   GLY A   5      -1.229  -5.064  -5.913  1.00  0.38           O  
ATOM     76  H   GLY A   5      -3.051  -1.429  -6.944  1.00  1.04           H  
ATOM     77  HA2 GLY A   5      -3.136  -4.238  -7.336  1.00  0.54           H  
ATOM     78  HA3 GLY A   5      -2.112  -3.128  -8.237  1.00  0.50           H  
ATOM     79  N   PRO A   6      -0.037  -3.336  -6.680  1.00  0.33           N  
ATOM     80  CA  PRO A   6       1.243  -3.812  -6.077  1.00  0.26           C  
ATOM     81  C   PRO A   6       1.288  -3.594  -4.559  1.00  0.25           C  
ATOM     82  O   PRO A   6       2.176  -4.093  -3.904  1.00  0.27           O  
ATOM     83  CB  PRO A   6       2.295  -2.929  -6.728  1.00  0.27           C  
ATOM     84  CG  PRO A   6       1.565  -1.680  -7.067  1.00  0.31           C  
ATOM     85  CD  PRO A   6       0.150  -2.074  -7.405  1.00  0.36           C  
ATOM     86  HA  PRO A   6       1.427  -4.845  -6.325  1.00  0.27           H  
ATOM     87  HB2 PRO A   6       3.095  -2.721  -6.031  1.00  0.25           H  
ATOM     88  HB3 PRO A   6       2.679  -3.390  -7.624  1.00  0.29           H  
ATOM     89  HG2 PRO A   6       1.575  -1.032  -6.199  1.00  0.30           H  
ATOM     90  HG3 PRO A   6       2.027  -1.191  -7.910  1.00  0.36           H  
ATOM     91  HD2 PRO A   6      -0.545  -1.322  -7.055  1.00  0.40           H  
ATOM     92  HD3 PRO A   6       0.040  -2.233  -8.465  1.00  0.42           H  
ATOM     93  N   CYS A   7       0.370  -2.837  -3.994  1.00  0.27           N  
ATOM     94  CA  CYS A   7       0.412  -2.592  -2.514  1.00  0.27           C  
ATOM     95  C   CYS A   7       0.518  -3.919  -1.758  1.00  0.29           C  
ATOM     96  O   CYS A   7       1.259  -4.028  -0.803  1.00  0.34           O  
ATOM     97  CB  CYS A   7      -0.880  -1.858  -2.177  1.00  0.31           C  
ATOM     98  SG  CYS A   7      -0.539  -0.078  -2.143  1.00  0.32           S  
ATOM     99  H   CYS A   7      -0.328  -2.421  -4.539  1.00  0.32           H  
ATOM    100  HA  CYS A   7       1.254  -1.963  -2.272  1.00  0.25           H  
ATOM    101  HB2 CYS A   7      -1.625  -2.074  -2.928  1.00  0.36           H  
ATOM    102  HB3 CYS A   7      -1.236  -2.175  -1.210  1.00  0.34           H  
ATOM    103  N   ASP A   8      -0.182  -4.940  -2.201  1.00  0.30           N  
ATOM    104  CA  ASP A   8      -0.073  -6.270  -1.523  1.00  0.36           C  
ATOM    105  C   ASP A   8       1.375  -6.772  -1.647  1.00  0.35           C  
ATOM    106  O   ASP A   8       1.923  -7.348  -0.725  1.00  0.38           O  
ATOM    107  CB  ASP A   8      -1.041  -7.195  -2.275  1.00  0.43           C  
ATOM    108  CG  ASP A   8      -0.809  -8.651  -1.850  1.00  0.93           C  
ATOM    109  OD1 ASP A   8      -1.124  -8.978  -0.716  1.00  1.71           O  
ATOM    110  OD2 ASP A   8      -0.317  -9.413  -2.666  1.00  1.59           O  
ATOM    111  H   ASP A   8      -0.752  -4.836  -2.994  1.00  0.32           H  
ATOM    112  HA  ASP A   8      -0.360  -6.192  -0.485  1.00  0.38           H  
ATOM    113  HB2 ASP A   8      -2.057  -6.911  -2.045  1.00  0.82           H  
ATOM    114  HB3 ASP A   8      -0.874  -7.102  -3.337  1.00  0.89           H  
ATOM    115  N   GLN A   9       1.996  -6.532  -2.781  1.00  0.35           N  
ATOM    116  CA  GLN A   9       3.413  -6.960  -2.987  1.00  0.38           C  
ATOM    117  C   GLN A   9       4.363  -6.025  -2.221  1.00  0.33           C  
ATOM    118  O   GLN A   9       5.291  -6.478  -1.580  1.00  0.38           O  
ATOM    119  CB  GLN A   9       3.651  -6.852  -4.498  1.00  0.41           C  
ATOM    120  CG  GLN A   9       4.738  -7.843  -4.923  1.00  0.98           C  
ATOM    121  CD  GLN A   9       4.465  -8.319  -6.352  1.00  1.30           C  
ATOM    122  OE1 GLN A   9       3.747  -9.278  -6.558  1.00  1.97           O  
ATOM    123  NE2 GLN A   9       5.008  -7.684  -7.357  1.00  1.91           N  
ATOM    124  H   GLN A   9       1.528  -6.052  -3.497  1.00  0.35           H  
ATOM    125  HA  GLN A   9       3.548  -7.981  -2.665  1.00  0.45           H  
ATOM    126  HB2 GLN A   9       2.734  -7.076  -5.022  1.00  0.83           H  
ATOM    127  HB3 GLN A   9       3.968  -5.849  -4.741  1.00  0.76           H  
ATOM    128  HG2 GLN A   9       5.703  -7.358  -4.883  1.00  1.61           H  
ATOM    129  HG3 GLN A   9       4.734  -8.693  -4.256  1.00  1.58           H  
ATOM    130 HE21 GLN A   9       5.586  -6.909  -7.194  1.00  2.33           H  
ATOM    131 HE22 GLN A   9       4.837  -7.982  -8.274  1.00  2.38           H  
ATOM    132  N   VAL A  10       4.140  -4.724  -2.280  1.00  0.27           N  
ATOM    133  CA  VAL A  10       5.039  -3.775  -1.541  1.00  0.26           C  
ATOM    134  C   VAL A  10       4.597  -3.610  -0.067  1.00  0.26           C  
ATOM    135  O   VAL A  10       5.099  -2.754   0.639  1.00  0.28           O  
ATOM    136  CB  VAL A  10       4.923  -2.447  -2.307  1.00  0.25           C  
ATOM    137  CG1 VAL A  10       3.584  -1.770  -1.993  1.00  0.24           C  
ATOM    138  CG2 VAL A  10       6.070  -1.516  -1.900  1.00  0.28           C  
ATOM    139  H   VAL A  10       3.381  -4.370  -2.813  1.00  0.26           H  
ATOM    140  HA  VAL A  10       6.060  -4.127  -1.579  1.00  0.31           H  
ATOM    141  HB  VAL A  10       4.981  -2.643  -3.368  1.00  0.28           H  
ATOM    142 HG11 VAL A  10       3.761  -0.855  -1.448  1.00  1.05           H  
ATOM    143 HG12 VAL A  10       2.976  -2.433  -1.395  1.00  1.02           H  
ATOM    144 HG13 VAL A  10       3.071  -1.546  -2.916  1.00  1.00           H  
ATOM    145 HG21 VAL A  10       6.760  -2.050  -1.265  1.00  1.08           H  
ATOM    146 HG22 VAL A  10       5.673  -0.667  -1.365  1.00  1.06           H  
ATOM    147 HG23 VAL A  10       6.586  -1.175  -2.785  1.00  1.01           H  
ATOM    148  N   CYS A  11       3.671  -4.419   0.408  1.00  0.25           N  
ATOM    149  CA  CYS A  11       3.221  -4.300   1.834  1.00  0.27           C  
ATOM    150  C   CYS A  11       4.345  -4.736   2.796  1.00  0.29           C  
ATOM    151  O   CYS A  11       4.661  -4.012   3.720  1.00  0.31           O  
ATOM    152  CB  CYS A  11       1.998  -5.219   1.966  1.00  0.29           C  
ATOM    153  SG  CYS A  11       1.535  -5.366   3.713  1.00  0.77           S  
ATOM    154  H   CYS A  11       3.277  -5.104  -0.170  1.00  0.26           H  
ATOM    155  HA  CYS A  11       2.934  -3.282   2.044  1.00  0.28           H  
ATOM    156  HB2 CYS A  11       1.173  -4.799   1.412  1.00  0.55           H  
ATOM    157  HB3 CYS A  11       2.234  -6.195   1.573  1.00  0.59           H  
ATOM    158  N   PRO A  12       4.927  -5.898   2.550  1.00  0.31           N  
ATOM    159  CA  PRO A  12       6.030  -6.390   3.422  1.00  0.35           C  
ATOM    160  C   PRO A  12       7.346  -5.632   3.146  1.00  0.34           C  
ATOM    161  O   PRO A  12       8.357  -5.900   3.770  1.00  0.38           O  
ATOM    162  CB  PRO A  12       6.164  -7.861   3.036  1.00  0.40           C  
ATOM    163  CG  PRO A  12       5.635  -7.953   1.641  1.00  0.39           C  
ATOM    164  CD  PRO A  12       4.624  -6.849   1.468  1.00  0.33           C  
ATOM    165  HA  PRO A  12       5.757  -6.309   4.460  1.00  0.38           H  
ATOM    166  HB2 PRO A  12       7.203  -8.162   3.066  1.00  0.42           H  
ATOM    167  HB3 PRO A  12       5.574  -8.477   3.696  1.00  0.44           H  
ATOM    168  HG2 PRO A  12       6.443  -7.828   0.933  1.00  0.38           H  
ATOM    169  HG3 PRO A  12       5.157  -8.908   1.491  1.00  0.44           H  
ATOM    170  HD2 PRO A  12       4.747  -6.379   0.503  1.00  0.33           H  
ATOM    171  HD3 PRO A  12       3.624  -7.232   1.580  1.00  0.36           H  
ATOM    172  N   ARG A  13       7.345  -4.693   2.219  1.00  0.30           N  
ATOM    173  CA  ARG A  13       8.594  -3.926   1.907  1.00  0.32           C  
ATOM    174  C   ARG A  13       8.941  -2.960   3.052  1.00  0.32           C  
ATOM    175  O   ARG A  13       8.438  -3.082   4.155  1.00  0.39           O  
ATOM    176  CB  ARG A  13       8.271  -3.150   0.624  1.00  0.32           C  
ATOM    177  CG  ARG A  13       8.815  -3.912  -0.583  1.00  0.36           C  
ATOM    178  CD  ARG A  13       9.048  -2.940  -1.742  1.00  0.63           C  
ATOM    179  NE  ARG A  13      10.333  -3.372  -2.357  1.00  1.03           N  
ATOM    180  CZ  ARG A  13      10.332  -4.008  -3.498  1.00  1.37           C  
ATOM    181  NH1 ARG A  13      10.370  -5.316  -3.517  1.00  2.15           N  
ATOM    182  NH2 ARG A  13      10.293  -3.337  -4.620  1.00  1.94           N  
ATOM    183  H   ARG A  13       6.524  -4.494   1.727  1.00  0.29           H  
ATOM    184  HA  ARG A  13       9.414  -4.602   1.729  1.00  0.35           H  
ATOM    185  HB2 ARG A  13       7.203  -3.040   0.528  1.00  0.35           H  
ATOM    186  HB3 ARG A  13       8.729  -2.173   0.666  1.00  0.37           H  
ATOM    187  HG2 ARG A  13       9.746  -4.384  -0.315  1.00  0.57           H  
ATOM    188  HG3 ARG A  13       8.102  -4.665  -0.884  1.00  0.66           H  
ATOM    189  HD2 ARG A  13       8.241  -3.012  -2.459  1.00  0.96           H  
ATOM    190  HD3 ARG A  13       9.136  -1.929  -1.375  1.00  1.01           H  
ATOM    191  HE  ARG A  13      11.181  -3.180  -1.904  1.00  1.64           H  
ATOM    192 HH11 ARG A  13      10.400  -5.828  -2.658  1.00  2.57           H  
ATOM    193 HH12 ARG A  13      10.370  -5.805  -4.390  1.00  2.70           H  
ATOM    194 HH21 ARG A  13      10.264  -2.337  -4.604  1.00  2.30           H  
ATOM    195 HH22 ARG A  13      10.293  -3.822  -5.494  1.00  2.48           H  
ATOM    196  N   ILE A  14       9.809  -2.008   2.797  1.00  0.32           N  
ATOM    197  CA  ILE A  14      10.204  -1.035   3.870  1.00  0.35           C  
ATOM    198  C   ILE A  14       9.048  -0.065   4.187  1.00  0.34           C  
ATOM    199  O   ILE A  14       7.888  -0.387   4.015  1.00  0.34           O  
ATOM    200  CB  ILE A  14      11.435  -0.281   3.328  1.00  0.38           C  
ATOM    201  CG1 ILE A  14      11.060   0.500   2.059  1.00  0.39           C  
ATOM    202  CG2 ILE A  14      12.551  -1.281   3.012  1.00  0.45           C  
ATOM    203  CD1 ILE A  14      12.319   1.085   1.412  1.00  0.98           C  
ATOM    204  H   ILE A  14      10.206  -1.941   1.903  1.00  0.35           H  
ATOM    205  HA  ILE A  14      10.480  -1.573   4.764  1.00  0.39           H  
ATOM    206  HB  ILE A  14      11.787   0.409   4.082  1.00  0.43           H  
ATOM    207 HG12 ILE A  14      10.571  -0.160   1.366  1.00  0.55           H  
ATOM    208 HG13 ILE A  14      10.388   1.303   2.317  1.00  0.56           H  
ATOM    209 HG21 ILE A  14      12.561  -2.057   3.763  1.00  1.07           H  
ATOM    210 HG22 ILE A  14      13.502  -0.769   3.010  1.00  1.05           H  
ATOM    211 HG23 ILE A  14      12.377  -1.720   2.041  1.00  1.22           H  
ATOM    212 HD11 ILE A  14      12.037   1.824   0.677  1.00  1.66           H  
ATOM    213 HD12 ILE A  14      12.878   0.295   0.931  1.00  1.41           H  
ATOM    214 HD13 ILE A  14      12.932   1.548   2.171  1.00  1.45           H  
ATOM    215  N   VAL A  15       9.363   1.108   4.674  1.00  0.41           N  
ATOM    216  CA  VAL A  15       8.293   2.099   5.040  1.00  0.46           C  
ATOM    217  C   VAL A  15       7.972   3.077   3.888  1.00  0.45           C  
ATOM    218  O   VAL A  15       6.812   3.255   3.569  1.00  0.48           O  
ATOM    219  CB  VAL A  15       8.843   2.852   6.261  1.00  0.58           C  
ATOM    220  CG1 VAL A  15       7.888   3.987   6.647  1.00  0.80           C  
ATOM    221  CG2 VAL A  15       8.977   1.882   7.440  1.00  0.61           C  
ATOM    222  H   VAL A  15      10.305   1.329   4.822  1.00  0.45           H  
ATOM    223  HA  VAL A  15       7.394   1.571   5.322  1.00  0.47           H  
ATOM    224  HB  VAL A  15       9.812   3.265   6.022  1.00  0.58           H  
ATOM    225 HG11 VAL A  15       8.157   4.368   7.621  1.00  1.29           H  
ATOM    226 HG12 VAL A  15       6.875   3.613   6.674  1.00  1.26           H  
ATOM    227 HG13 VAL A  15       7.959   4.781   5.918  1.00  1.39           H  
ATOM    228 HG21 VAL A  15       9.754   1.162   7.226  1.00  1.17           H  
ATOM    229 HG22 VAL A  15       8.040   1.367   7.591  1.00  1.17           H  
ATOM    230 HG23 VAL A  15       9.233   2.433   8.332  1.00  1.19           H  
ATOM    231  N   PRO A  16       8.983   3.697   3.299  1.00  0.46           N  
ATOM    232  CA  PRO A  16       8.725   4.664   2.193  1.00  0.50           C  
ATOM    233  C   PRO A  16       8.102   3.964   0.975  1.00  0.47           C  
ATOM    234  O   PRO A  16       7.344   4.564   0.238  1.00  0.72           O  
ATOM    235  CB  PRO A  16      10.108   5.236   1.879  1.00  0.55           C  
ATOM    236  CG  PRO A  16      11.063   4.198   2.362  1.00  0.52           C  
ATOM    237  CD  PRO A  16      10.424   3.569   3.571  1.00  0.50           C  
ATOM    238  HA  PRO A  16       8.076   5.454   2.538  1.00  0.55           H  
ATOM    239  HB2 PRO A  16      10.218   5.389   0.814  1.00  0.58           H  
ATOM    240  HB3 PRO A  16      10.265   6.160   2.413  1.00  0.62           H  
ATOM    241  HG2 PRO A  16      11.221   3.455   1.592  1.00  0.48           H  
ATOM    242  HG3 PRO A  16      12.000   4.654   2.640  1.00  0.60           H  
ATOM    243  HD2 PRO A  16      10.715   2.535   3.647  1.00  0.48           H  
ATOM    244  HD3 PRO A  16      10.685   4.111   4.466  1.00  0.61           H  
ATOM    245  N   GLU A  17       8.394   2.699   0.773  1.00  0.36           N  
ATOM    246  CA  GLU A  17       7.793   1.963  -0.383  1.00  0.39           C  
ATOM    247  C   GLU A  17       6.313   1.667  -0.097  1.00  0.34           C  
ATOM    248  O   GLU A  17       5.485   1.694  -0.989  1.00  0.40           O  
ATOM    249  CB  GLU A  17       8.590   0.659  -0.494  1.00  0.45           C  
ATOM    250  CG  GLU A  17       9.668   0.802  -1.573  1.00  0.63           C  
ATOM    251  CD  GLU A  17       9.027   0.701  -2.963  1.00  1.04           C  
ATOM    252  OE1 GLU A  17       8.947  -0.401  -3.480  1.00  1.57           O  
ATOM    253  OE2 GLU A  17       8.627   1.729  -3.486  1.00  1.73           O  
ATOM    254  H   GLU A  17       8.992   2.230   1.388  1.00  0.50           H  
ATOM    255  HA  GLU A  17       7.894   2.538  -1.290  1.00  0.45           H  
ATOM    256  HB2 GLU A  17       9.057   0.442   0.455  1.00  0.70           H  
ATOM    257  HB3 GLU A  17       7.925  -0.147  -0.757  1.00  0.65           H  
ATOM    258  HG2 GLU A  17      10.155   1.760  -1.469  1.00  0.89           H  
ATOM    259  HG3 GLU A  17      10.397   0.014  -1.458  1.00  0.92           H  
ATOM    260  N   ARG A  18       5.980   1.398   1.147  1.00  0.30           N  
ATOM    261  CA  ARG A  18       4.556   1.111   1.513  1.00  0.31           C  
ATOM    262  C   ARG A  18       3.685   2.345   1.243  1.00  0.32           C  
ATOM    263  O   ARG A  18       2.629   2.248   0.645  1.00  0.36           O  
ATOM    264  CB  ARG A  18       4.587   0.794   3.013  1.00  0.33           C  
ATOM    265  CG  ARG A  18       4.852  -0.698   3.213  1.00  0.34           C  
ATOM    266  CD  ARG A  18       4.369  -1.125   4.602  1.00  0.44           C  
ATOM    267  NE  ARG A  18       5.556  -1.747   5.258  1.00  0.46           N  
ATOM    268  CZ  ARG A  18       5.562  -1.936   6.551  1.00  0.64           C  
ATOM    269  NH1 ARG A  18       5.909  -0.963   7.354  1.00  1.24           N  
ATOM    270  NH2 ARG A  18       5.222  -3.100   7.040  1.00  1.43           N  
ATOM    271  H   ARG A  18       6.669   1.391   1.844  1.00  0.31           H  
ATOM    272  HA  ARG A  18       4.187   0.261   0.962  1.00  0.35           H  
ATOM    273  HB2 ARG A  18       5.373   1.365   3.485  1.00  0.35           H  
ATOM    274  HB3 ARG A  18       3.640   1.053   3.458  1.00  0.38           H  
ATOM    275  HG2 ARG A  18       4.323  -1.263   2.459  1.00  0.37           H  
ATOM    276  HG3 ARG A  18       5.909  -0.887   3.130  1.00  0.35           H  
ATOM    277  HD2 ARG A  18       4.036  -0.263   5.163  1.00  0.55           H  
ATOM    278  HD3 ARG A  18       3.575  -1.849   4.516  1.00  0.50           H  
ATOM    279  HE  ARG A  18       6.330  -2.019   4.721  1.00  0.47           H  
ATOM    280 HH11 ARG A  18       6.171  -0.073   6.979  1.00  1.97           H  
ATOM    281 HH12 ARG A  18       5.912  -1.107   8.344  1.00  1.34           H  
ATOM    282 HH21 ARG A  18       4.958  -3.844   6.425  1.00  2.15           H  
ATOM    283 HH22 ARG A  18       5.224  -3.248   8.030  1.00  1.56           H  
ATOM    284  N   HIS A  19       4.129   3.503   1.672  1.00  0.37           N  
ATOM    285  CA  HIS A  19       3.344   4.752   1.436  1.00  0.44           C  
ATOM    286  C   HIS A  19       3.448   5.178  -0.036  1.00  0.46           C  
ATOM    287  O   HIS A  19       2.564   5.830  -0.560  1.00  0.60           O  
ATOM    288  CB  HIS A  19       3.990   5.801   2.345  1.00  0.53           C  
ATOM    289  CG  HIS A  19       3.585   5.551   3.773  1.00  0.59           C  
ATOM    290  ND1 HIS A  19       2.361   5.960   4.276  1.00  0.91           N  
ATOM    291  CD2 HIS A  19       4.230   4.931   4.814  1.00  0.87           C  
ATOM    292  CE1 HIS A  19       2.307   5.584   5.567  1.00  1.26           C  
ATOM    293  NE2 HIS A  19       3.422   4.952   5.946  1.00  1.26           N  
ATOM    294  H   HIS A  19       4.987   3.552   2.143  1.00  0.41           H  
ATOM    295  HA  HIS A  19       2.313   4.607   1.716  1.00  0.47           H  
ATOM    296  HB2 HIS A  19       5.065   5.739   2.260  1.00  0.74           H  
ATOM    297  HB3 HIS A  19       3.664   6.782   2.047  1.00  0.80           H  
ATOM    298  HD1 HIS A  19       1.662   6.438   3.783  1.00  1.02           H  
ATOM    299  HD2 HIS A  19       5.217   4.494   4.762  1.00  0.97           H  
ATOM    300  HE1 HIS A  19       1.465   5.770   6.217  1.00  1.61           H  
ATOM    301  N   GLU A  20       4.519   4.807  -0.705  1.00  0.44           N  
ATOM    302  CA  GLU A  20       4.693   5.175  -2.138  1.00  0.49           C  
ATOM    303  C   GLU A  20       3.635   4.468  -3.004  1.00  0.46           C  
ATOM    304  O   GLU A  20       3.117   5.044  -3.939  1.00  0.58           O  
ATOM    305  CB  GLU A  20       6.116   4.699  -2.480  1.00  0.52           C  
ATOM    306  CG  GLU A  20       6.234   4.401  -3.974  1.00  0.86           C  
ATOM    307  CD  GLU A  20       7.472   5.098  -4.546  1.00  0.96           C  
ATOM    308  OE1 GLU A  20       8.556   4.560  -4.394  1.00  1.61           O  
ATOM    309  OE2 GLU A  20       7.314   6.159  -5.128  1.00  1.58           O  
ATOM    310  H   GLU A  20       5.211   4.279  -0.264  1.00  0.50           H  
ATOM    311  HA  GLU A  20       4.625   6.244  -2.261  1.00  0.57           H  
ATOM    312  HB2 GLU A  20       6.824   5.469  -2.212  1.00  0.74           H  
ATOM    313  HB3 GLU A  20       6.337   3.802  -1.921  1.00  0.69           H  
ATOM    314  HG2 GLU A  20       6.318   3.334  -4.120  1.00  1.45           H  
ATOM    315  HG3 GLU A  20       5.354   4.764  -4.474  1.00  1.45           H  
ATOM    316  N   CYS A  21       3.319   3.227  -2.702  1.00  0.39           N  
ATOM    317  CA  CYS A  21       2.300   2.484  -3.514  1.00  0.40           C  
ATOM    318  C   CYS A  21       0.950   3.217  -3.504  1.00  0.44           C  
ATOM    319  O   CYS A  21       0.433   3.582  -4.542  1.00  0.71           O  
ATOM    320  CB  CYS A  21       2.168   1.113  -2.843  1.00  0.40           C  
ATOM    321  SG  CYS A  21       0.817   0.192  -3.622  1.00  1.07           S  
ATOM    322  H   CYS A  21       3.757   2.784  -1.944  1.00  0.40           H  
ATOM    323  HA  CYS A  21       2.650   2.361  -4.527  1.00  0.42           H  
ATOM    324  HB2 CYS A  21       3.091   0.566  -2.959  1.00  0.73           H  
ATOM    325  HB3 CYS A  21       1.957   1.244  -1.792  1.00  0.83           H  
ATOM    326  N   CYS A  22       0.377   3.425  -2.342  1.00  0.28           N  
ATOM    327  CA  CYS A  22      -0.946   4.129  -2.262  1.00  0.34           C  
ATOM    328  C   CYS A  22      -0.857   5.529  -2.888  1.00  0.39           C  
ATOM    329  O   CYS A  22      -1.654   5.884  -3.734  1.00  0.66           O  
ATOM    330  CB  CYS A  22      -1.269   4.235  -0.766  1.00  0.34           C  
ATOM    331  SG  CYS A  22      -1.302   2.584  -0.018  1.00  0.55           S  
ATOM    332  H   CYS A  22       0.816   3.111  -1.521  1.00  0.33           H  
ATOM    333  HA  CYS A  22      -1.708   3.549  -2.760  1.00  0.42           H  
ATOM    334  HB2 CYS A  22      -0.514   4.833  -0.278  1.00  0.39           H  
ATOM    335  HB3 CYS A  22      -2.234   4.705  -0.640  1.00  0.41           H  
ATOM    336  N   ARG A  23       0.104   6.324  -2.479  1.00  0.36           N  
ATOM    337  CA  ARG A  23       0.240   7.706  -3.049  1.00  0.44           C  
ATOM    338  C   ARG A  23       0.420   7.662  -4.577  1.00  0.53           C  
ATOM    339  O   ARG A  23      -0.094   8.505  -5.288  1.00  0.93           O  
ATOM    340  CB  ARG A  23       1.484   8.299  -2.378  1.00  0.57           C  
ATOM    341  CG  ARG A  23       1.143   8.716  -0.943  1.00  0.74           C  
ATOM    342  CD  ARG A  23       1.674  10.127  -0.677  1.00  1.50           C  
ATOM    343  NE  ARG A  23       1.323  10.415   0.744  1.00  1.53           N  
ATOM    344  CZ  ARG A  23       1.925  11.385   1.380  1.00  2.00           C  
ATOM    345  NH1 ARG A  23       1.392  12.579   1.406  1.00  2.54           N  
ATOM    346  NH2 ARG A  23       3.060  11.160   1.992  1.00  2.68           N  
ATOM    347  H   ARG A  23       0.734   6.013  -1.795  1.00  0.47           H  
ATOM    348  HA  ARG A  23      -0.625   8.298  -2.796  1.00  0.45           H  
ATOM    349  HB2 ARG A  23       2.271   7.558  -2.361  1.00  0.72           H  
ATOM    350  HB3 ARG A  23       1.815   9.163  -2.933  1.00  0.69           H  
ATOM    351  HG2 ARG A  23       0.071   8.703  -0.809  1.00  1.15           H  
ATOM    352  HG3 ARG A  23       1.599   8.026  -0.250  1.00  1.13           H  
ATOM    353  HD2 ARG A  23       2.747  10.154  -0.814  1.00  2.18           H  
ATOM    354  HD3 ARG A  23       1.192  10.839  -1.329  1.00  2.11           H  
ATOM    355  HE  ARG A  23       0.639   9.880   1.200  1.00  1.84           H  
ATOM    356 HH11 ARG A  23       0.524  12.750   0.938  1.00  2.73           H  
ATOM    357 HH12 ARG A  23       1.851  13.323   1.892  1.00  3.15           H  
ATOM    358 HH21 ARG A  23       3.467  10.246   1.971  1.00  2.95           H  
ATOM    359 HH22 ARG A  23       3.523  11.901   2.479  1.00  3.28           H  
ATOM    360  N   ALA A  24       1.143   6.689  -5.083  1.00  0.45           N  
ATOM    361  CA  ALA A  24       1.358   6.594  -6.565  1.00  0.51           C  
ATOM    362  C   ALA A  24       0.092   6.099  -7.287  1.00  0.48           C  
ATOM    363  O   ALA A  24      -0.077   6.337  -8.469  1.00  0.81           O  
ATOM    364  CB  ALA A  24       2.495   5.585  -6.744  1.00  0.64           C  
ATOM    365  H   ALA A  24       1.548   6.022  -4.489  1.00  0.65           H  
ATOM    366  HA  ALA A  24       1.659   7.552  -6.959  1.00  0.57           H  
ATOM    367  HB1 ALA A  24       3.387   5.961  -6.265  1.00  1.19           H  
ATOM    368  HB2 ALA A  24       2.685   5.440  -7.797  1.00  1.17           H  
ATOM    369  HB3 ALA A  24       2.215   4.643  -6.296  1.00  1.29           H  
ATOM    370  N   HIS A  25      -0.793   5.411  -6.599  1.00  0.42           N  
ATOM    371  CA  HIS A  25      -2.035   4.906  -7.269  1.00  0.46           C  
ATOM    372  C   HIS A  25      -3.228   5.848  -7.020  1.00  0.48           C  
ATOM    373  O   HIS A  25      -4.373   5.450  -7.142  1.00  0.77           O  
ATOM    374  CB  HIS A  25      -2.287   3.528  -6.650  1.00  0.49           C  
ATOM    375  CG  HIS A  25      -1.430   2.507  -7.350  1.00  0.63           C  
ATOM    376  ND1 HIS A  25      -0.076   2.372  -7.087  1.00  0.83           N  
ATOM    377  CD2 HIS A  25      -1.718   1.573  -8.314  1.00  1.63           C  
ATOM    378  CE1 HIS A  25       0.396   1.392  -7.878  1.00  0.70           C  
ATOM    379  NE2 HIS A  25      -0.564   0.871  -8.646  1.00  1.44           N  
ATOM    380  H   HIS A  25      -0.640   5.224  -5.649  1.00  0.64           H  
ATOM    381  HA  HIS A  25      -1.866   4.800  -8.329  1.00  0.53           H  
ATOM    382  HB2 HIS A  25      -2.037   3.551  -5.599  1.00  0.46           H  
ATOM    383  HB3 HIS A  25      -3.327   3.264  -6.768  1.00  0.64           H  
ATOM    384  HD1 HIS A  25       0.444   2.896  -6.442  1.00  1.65           H  
ATOM    385  HD2 HIS A  25      -2.694   1.408  -8.749  1.00  2.56           H  
ATOM    386  HE1 HIS A  25       1.425   1.067  -7.891  1.00  1.00           H  
ATOM    387  N   GLY A  26      -2.971   7.093  -6.686  1.00  0.45           N  
ATOM    388  CA  GLY A  26      -4.085   8.062  -6.444  1.00  0.49           C  
ATOM    389  C   GLY A  26      -4.823   7.711  -5.147  1.00  0.50           C  
ATOM    390  O   GLY A  26      -6.025   7.869  -5.051  1.00  0.90           O  
ATOM    391  H   GLY A  26      -2.043   7.394  -6.601  1.00  0.62           H  
ATOM    392  HA2 GLY A  26      -3.679   9.060  -6.365  1.00  0.57           H  
ATOM    393  HA3 GLY A  26      -4.780   8.023  -7.269  1.00  0.60           H  
ATOM    394  N   ARG A  27      -4.111   7.243  -4.151  1.00  0.42           N  
ATOM    395  CA  ARG A  27      -4.762   6.886  -2.855  1.00  0.46           C  
ATOM    396  C   ARG A  27      -4.242   7.807  -1.744  1.00  0.59           C  
ATOM    397  O   ARG A  27      -3.201   8.426  -1.879  1.00  1.40           O  
ATOM    398  CB  ARG A  27      -4.362   5.427  -2.595  1.00  0.50           C  
ATOM    399  CG  ARG A  27      -5.591   4.519  -2.719  1.00  0.55           C  
ATOM    400  CD  ARG A  27      -6.091   4.511  -4.170  1.00  0.77           C  
ATOM    401  NE  ARG A  27      -7.538   4.866  -4.090  1.00  0.85           N  
ATOM    402  CZ  ARG A  27      -8.160   5.327  -5.144  1.00  1.14           C  
ATOM    403  NH1 ARG A  27      -8.326   4.562  -6.193  1.00  1.80           N  
ATOM    404  NH2 ARG A  27      -8.617   6.553  -5.148  1.00  1.70           N  
ATOM    405  H   ARG A  27      -3.142   7.131  -4.254  1.00  0.67           H  
ATOM    406  HA  ARG A  27      -5.835   6.966  -2.937  1.00  0.50           H  
ATOM    407  HB2 ARG A  27      -3.621   5.124  -3.319  1.00  0.78           H  
ATOM    408  HB3 ARG A  27      -3.951   5.338  -1.601  1.00  0.65           H  
ATOM    409  HG2 ARG A  27      -5.322   3.514  -2.428  1.00  1.01           H  
ATOM    410  HG3 ARG A  27      -6.373   4.884  -2.072  1.00  1.13           H  
ATOM    411  HD2 ARG A  27      -5.554   5.244  -4.756  1.00  1.50           H  
ATOM    412  HD3 ARG A  27      -5.977   3.529  -4.600  1.00  1.37           H  
ATOM    413  HE  ARG A  27      -8.027   4.752  -3.247  1.00  1.43           H  
ATOM    414 HH11 ARG A  27      -7.979   3.624  -6.189  1.00  2.30           H  
ATOM    415 HH12 ARG A  27      -8.802   4.914  -7.000  1.00  2.17           H  
ATOM    416 HH21 ARG A  27      -8.491   7.136  -4.345  1.00  2.20           H  
ATOM    417 HH22 ARG A  27      -9.093   6.908  -5.953  1.00  2.04           H  
ATOM    418  N   SER A  28      -4.964   7.910  -0.654  1.00  0.63           N  
ATOM    419  CA  SER A  28      -4.523   8.802   0.467  1.00  0.63           C  
ATOM    420  C   SER A  28      -3.143   8.376   0.995  1.00  0.59           C  
ATOM    421  O   SER A  28      -2.234   9.181   1.077  1.00  0.86           O  
ATOM    422  CB  SER A  28      -5.589   8.642   1.553  1.00  0.76           C  
ATOM    423  OG  SER A  28      -5.420   9.657   2.533  1.00  1.39           O  
ATOM    424  H   SER A  28      -5.802   7.405  -0.576  1.00  1.24           H  
ATOM    425  HA  SER A  28      -4.494   9.828   0.135  1.00  0.68           H  
ATOM    426  HB2 SER A  28      -6.569   8.732   1.114  1.00  1.16           H  
ATOM    427  HB3 SER A  28      -5.491   7.667   2.009  1.00  1.13           H  
ATOM    428  HG  SER A  28      -6.263  10.101   2.650  1.00  1.68           H  
ATOM    429  N   GLY A  29      -2.981   7.123   1.349  1.00  0.56           N  
ATOM    430  CA  GLY A  29      -1.658   6.653   1.868  1.00  0.57           C  
ATOM    431  C   GLY A  29      -1.760   5.190   2.317  1.00  0.52           C  
ATOM    432  O   GLY A  29      -2.761   4.536   2.103  1.00  0.78           O  
ATOM    433  H   GLY A  29      -3.728   6.492   1.273  1.00  0.76           H  
ATOM    434  HA2 GLY A  29      -0.916   6.739   1.086  1.00  0.67           H  
ATOM    435  HA3 GLY A  29      -1.366   7.263   2.709  1.00  0.59           H  
ATOM    436  N   TYR A  30      -0.727   4.675   2.940  1.00  0.54           N  
ATOM    437  CA  TYR A  30      -0.759   3.252   3.408  1.00  0.49           C  
ATOM    438  C   TYR A  30      -1.562   3.142   4.712  1.00  0.44           C  
ATOM    439  O   TYR A  30      -1.298   3.844   5.672  1.00  0.65           O  
ATOM    440  CB  TYR A  30       0.712   2.867   3.636  1.00  0.57           C  
ATOM    441  CG  TYR A  30       0.798   1.550   4.384  1.00  0.82           C  
ATOM    442  CD1 TYR A  30       1.530   1.470   5.575  1.00  1.39           C  
ATOM    443  CD2 TYR A  30       0.145   0.414   3.887  1.00  1.74           C  
ATOM    444  CE1 TYR A  30       1.608   0.256   6.269  1.00  1.66           C  
ATOM    445  CE2 TYR A  30       0.224  -0.799   4.581  1.00  2.09           C  
ATOM    446  CZ  TYR A  30       0.955  -0.878   5.772  1.00  1.68           C  
ATOM    447  OH  TYR A  30       1.032  -2.075   6.456  1.00  2.14           O  
ATOM    448  H   TYR A  30       0.068   5.224   3.101  1.00  0.79           H  
ATOM    449  HA  TYR A  30      -1.190   2.618   2.649  1.00  0.51           H  
ATOM    450  HB2 TYR A  30       1.208   2.770   2.682  1.00  0.70           H  
ATOM    451  HB3 TYR A  30       1.198   3.638   4.215  1.00  0.68           H  
ATOM    452  HD1 TYR A  30       2.034   2.344   5.959  1.00  2.12           H  
ATOM    453  HD2 TYR A  30      -0.420   0.474   2.969  1.00  2.47           H  
ATOM    454  HE1 TYR A  30       2.173   0.195   7.188  1.00  2.36           H  
ATOM    455  HE2 TYR A  30      -0.280  -1.674   4.198  1.00  2.97           H  
ATOM    456  HH  TYR A  30       0.236  -2.168   6.985  1.00  2.33           H  
ATOM    457  N   ALA A  31      -2.534   2.262   4.751  1.00  0.34           N  
ATOM    458  CA  ALA A  31      -3.354   2.096   5.991  1.00  0.40           C  
ATOM    459  C   ALA A  31      -2.969   0.798   6.712  1.00  0.43           C  
ATOM    460  O   ALA A  31      -2.456   0.827   7.815  1.00  0.51           O  
ATOM    461  CB  ALA A  31      -4.810   2.039   5.515  1.00  0.45           C  
ATOM    462  H   ALA A  31      -2.722   1.706   3.965  1.00  0.40           H  
ATOM    463  HA  ALA A  31      -3.217   2.942   6.646  1.00  0.48           H  
ATOM    464  HB1 ALA A  31      -5.049   1.032   5.203  1.00  1.11           H  
ATOM    465  HB2 ALA A  31      -4.946   2.714   4.684  1.00  1.13           H  
ATOM    466  HB3 ALA A  31      -5.464   2.327   6.324  1.00  1.08           H  
ATOM    467  N   TYR A  32      -3.221  -0.338   6.099  1.00  0.39           N  
ATOM    468  CA  TYR A  32      -2.882  -1.646   6.749  1.00  0.45           C  
ATOM    469  C   TYR A  32      -3.077  -2.807   5.762  1.00  0.42           C  
ATOM    470  O   TYR A  32      -3.778  -2.683   4.776  1.00  0.61           O  
ATOM    471  CB  TYR A  32      -3.865  -1.784   7.927  1.00  0.56           C  
ATOM    472  CG  TYR A  32      -5.295  -1.710   7.424  1.00  0.57           C  
ATOM    473  CD1 TYR A  32      -5.961  -0.479   7.387  1.00  1.23           C  
ATOM    474  CD2 TYR A  32      -5.948  -2.871   6.992  1.00  1.32           C  
ATOM    475  CE1 TYR A  32      -7.277  -0.408   6.916  1.00  1.26           C  
ATOM    476  CE2 TYR A  32      -7.264  -2.800   6.523  1.00  1.37           C  
ATOM    477  CZ  TYR A  32      -7.929  -1.569   6.485  1.00  0.71           C  
ATOM    478  OH  TYR A  32      -9.227  -1.500   6.019  1.00  0.82           O  
ATOM    479  H   TYR A  32      -3.639  -0.331   5.212  1.00  0.35           H  
ATOM    480  HA  TYR A  32      -1.869  -1.632   7.117  1.00  0.50           H  
ATOM    481  HB2 TYR A  32      -3.706  -2.734   8.416  1.00  0.63           H  
ATOM    482  HB3 TYR A  32      -3.692  -0.985   8.633  1.00  0.61           H  
ATOM    483  HD1 TYR A  32      -5.459   0.417   7.719  1.00  2.04           H  
ATOM    484  HD2 TYR A  32      -5.436  -3.822   7.020  1.00  2.13           H  
ATOM    485  HE1 TYR A  32      -7.789   0.543   6.887  1.00  2.06           H  
ATOM    486  HE2 TYR A  32      -7.766  -3.695   6.189  1.00  2.19           H  
ATOM    487  HH  TYR A  32      -9.195  -1.357   5.069  1.00  1.14           H  
ATOM    488  N   CYS A  33      -2.478  -3.939   6.039  1.00  0.36           N  
ATOM    489  CA  CYS A  33      -2.641  -5.122   5.139  1.00  0.33           C  
ATOM    490  C   CYS A  33      -3.506  -6.172   5.844  1.00  0.37           C  
ATOM    491  O   CYS A  33      -3.100  -6.756   6.833  1.00  0.54           O  
ATOM    492  CB  CYS A  33      -1.226  -5.661   4.907  1.00  0.36           C  
ATOM    493  SG  CYS A  33      -0.307  -4.541   3.821  1.00  0.70           S  
ATOM    494  H   CYS A  33      -1.933  -4.016   6.851  1.00  0.48           H  
ATOM    495  HA  CYS A  33      -3.091  -4.829   4.200  1.00  0.32           H  
ATOM    496  HB2 CYS A  33      -0.713  -5.742   5.854  1.00  0.63           H  
ATOM    497  HB3 CYS A  33      -1.285  -6.637   4.448  1.00  0.74           H  
ATOM    498  N   SER A  34      -4.697  -6.406   5.353  1.00  0.35           N  
ATOM    499  CA  SER A  34      -5.596  -7.408   6.004  1.00  0.38           C  
ATOM    500  C   SER A  34      -6.078  -8.447   4.983  1.00  0.49           C  
ATOM    501  O   SER A  34      -6.058  -8.214   3.788  1.00  1.08           O  
ATOM    502  CB  SER A  34      -6.770  -6.586   6.541  1.00  0.51           C  
ATOM    503  OG  SER A  34      -7.164  -7.103   7.806  1.00  0.73           O  
ATOM    504  H   SER A  34      -5.004  -5.916   4.561  1.00  0.43           H  
ATOM    505  HA  SER A  34      -5.086  -7.895   6.820  1.00  0.46           H  
ATOM    506  HB2 SER A  34      -6.471  -5.556   6.658  1.00  0.57           H  
ATOM    507  HB3 SER A  34      -7.597  -6.642   5.845  1.00  0.61           H  
ATOM    508  HG  SER A  34      -7.848  -7.760   7.658  1.00  1.00           H  
ATOM    509  N   GLY A  35      -6.510  -9.596   5.451  1.00  0.73           N  
ATOM    510  CA  GLY A  35      -6.996 -10.662   4.523  1.00  0.81           C  
ATOM    511  C   GLY A  35      -5.842 -11.133   3.633  1.00  0.86           C  
ATOM    512  O   GLY A  35      -4.906 -11.758   4.097  1.00  1.61           O  
ATOM    513  H   GLY A  35      -6.513  -9.757   6.419  1.00  1.21           H  
ATOM    514  HA2 GLY A  35      -7.372 -11.495   5.098  1.00  1.02           H  
ATOM    515  HA3 GLY A  35      -7.786 -10.266   3.902  1.00  1.14           H  
ATOM    516  N   GLY A  36      -5.903 -10.830   2.359  1.00  1.27           N  
ATOM    517  CA  GLY A  36      -4.812 -11.248   1.426  1.00  1.69           C  
ATOM    518  C   GLY A  36      -4.482 -10.092   0.477  1.00  0.99           C  
ATOM    519  O   GLY A  36      -4.351 -10.283  -0.718  1.00  1.02           O  
ATOM    520  H   GLY A  36      -6.667 -10.321   2.015  1.00  1.84           H  
ATOM    521  HA2 GLY A  36      -3.931 -11.512   1.994  1.00  2.28           H  
ATOM    522  HA3 GLY A  36      -5.139 -12.099   0.850  1.00  2.22           H  
ATOM    523  N   GLY A  37      -4.351  -8.895   0.998  1.00  0.70           N  
ATOM    524  CA  GLY A  37      -4.036  -7.725   0.126  1.00  0.62           C  
ATOM    525  C   GLY A  37      -3.833  -6.469   0.981  1.00  0.48           C  
ATOM    526  O   GLY A  37      -4.448  -6.308   2.019  1.00  1.04           O  
ATOM    527  H   GLY A  37      -4.465  -8.766   1.964  1.00  1.00           H  
ATOM    528  HA2 GLY A  37      -3.136  -7.928  -0.435  1.00  1.15           H  
ATOM    529  HA3 GLY A  37      -4.853  -7.560  -0.558  1.00  1.05           H  
ATOM    530  N   MET A  38      -2.979  -5.574   0.543  1.00  0.44           N  
ATOM    531  CA  MET A  38      -2.733  -4.317   1.318  1.00  0.50           C  
ATOM    532  C   MET A  38      -3.870  -3.319   1.074  1.00  0.41           C  
ATOM    533  O   MET A  38      -4.445  -3.269   0.002  1.00  0.53           O  
ATOM    534  CB  MET A  38      -1.406  -3.767   0.784  1.00  0.92           C  
ATOM    535  CG  MET A  38      -1.117  -2.395   1.408  1.00  1.70           C  
ATOM    536  SD  MET A  38       0.673  -2.165   1.559  1.00  2.64           S  
ATOM    537  CE  MET A  38       0.772  -0.526   0.798  1.00  3.30           C  
ATOM    538  H   MET A  38      -2.504  -5.728  -0.301  1.00  0.89           H  
ATOM    539  HA  MET A  38      -2.644  -4.537   2.370  1.00  0.64           H  
ATOM    540  HB2 MET A  38      -0.609  -4.451   1.033  1.00  1.04           H  
ATOM    541  HB3 MET A  38      -1.469  -3.665  -0.288  1.00  1.00           H  
ATOM    542  HG2 MET A  38      -1.529  -1.620   0.779  1.00  2.08           H  
ATOM    543  HG3 MET A  38      -1.571  -2.342   2.387  1.00  2.02           H  
ATOM    544  HE1 MET A  38       1.389   0.117   1.410  1.00  3.71           H  
ATOM    545  HE2 MET A  38      -0.216  -0.102   0.718  1.00  3.51           H  
ATOM    546  HE3 MET A  38       1.205  -0.614  -0.189  1.00  3.72           H  
ATOM    547  N   TYR A  39      -4.195  -2.527   2.065  1.00  0.37           N  
ATOM    548  CA  TYR A  39      -5.295  -1.530   1.903  1.00  0.32           C  
ATOM    549  C   TYR A  39      -4.777  -0.113   2.165  1.00  0.35           C  
ATOM    550  O   TYR A  39      -4.115   0.142   3.154  1.00  0.49           O  
ATOM    551  CB  TYR A  39      -6.347  -1.914   2.949  1.00  0.35           C  
ATOM    552  CG  TYR A  39      -6.914  -3.279   2.631  1.00  0.32           C  
ATOM    553  CD1 TYR A  39      -7.510  -3.519   1.387  1.00  1.23           C  
ATOM    554  CD2 TYR A  39      -6.842  -4.304   3.580  1.00  1.24           C  
ATOM    555  CE1 TYR A  39      -8.036  -4.782   1.095  1.00  1.22           C  
ATOM    556  CE2 TYR A  39      -7.368  -5.567   3.287  1.00  1.28           C  
ATOM    557  CZ  TYR A  39      -7.964  -5.807   2.044  1.00  0.43           C  
ATOM    558  OH  TYR A  39      -8.481  -7.054   1.756  1.00  0.54           O  
ATOM    559  H   TYR A  39      -3.715  -2.589   2.918  1.00  0.51           H  
ATOM    560  HA  TYR A  39      -5.721  -1.597   0.914  1.00  0.31           H  
ATOM    561  HB2 TYR A  39      -5.890  -1.933   3.927  1.00  0.41           H  
ATOM    562  HB3 TYR A  39      -7.144  -1.185   2.941  1.00  0.41           H  
ATOM    563  HD1 TYR A  39      -7.563  -2.729   0.655  1.00  2.13           H  
ATOM    564  HD2 TYR A  39      -6.379  -4.122   4.539  1.00  2.12           H  
ATOM    565  HE1 TYR A  39      -8.494  -4.966   0.135  1.00  2.10           H  
ATOM    566  HE2 TYR A  39      -7.313  -6.356   4.020  1.00  2.19           H  
ATOM    567  HH  TYR A  39      -9.392  -7.076   2.058  1.00  1.00           H  
ATOM    568  N   CYS A  40      -5.085   0.808   1.287  1.00  0.34           N  
ATOM    569  CA  CYS A  40      -4.631   2.219   1.477  1.00  0.42           C  
ATOM    570  C   CYS A  40      -5.750   3.040   2.128  1.00  0.45           C  
ATOM    571  O   CYS A  40      -6.884   2.603   2.208  1.00  0.58           O  
ATOM    572  CB  CYS A  40      -4.332   2.743   0.069  1.00  0.40           C  
ATOM    573  SG  CYS A  40      -3.018   1.753  -0.687  1.00  0.87           S  
ATOM    574  H   CYS A  40      -5.628   0.573   0.504  1.00  0.39           H  
ATOM    575  HA  CYS A  40      -3.738   2.251   2.081  1.00  0.57           H  
ATOM    576  HB2 CYS A  40      -5.224   2.676  -0.535  1.00  0.46           H  
ATOM    577  HB3 CYS A  40      -4.016   3.774   0.130  1.00  0.53           H  
ATOM    578  N   ASN A  41      -5.442   4.225   2.591  1.00  0.57           N  
ATOM    579  CA  ASN A  41      -6.489   5.079   3.237  1.00  0.70           C  
ATOM    580  C   ASN A  41      -7.429   5.679   2.179  1.00  0.66           C  
ATOM    581  O   ASN A  41      -8.582   5.910   2.507  1.00  1.31           O  
ATOM    582  CB  ASN A  41      -5.715   6.184   3.965  1.00  0.88           C  
ATOM    583  CG  ASN A  41      -5.124   5.627   5.263  1.00  1.12           C  
ATOM    584  OD1 ASN A  41      -3.957   5.292   5.316  1.00  1.59           O  
ATOM    585  ND2 ASN A  41      -5.884   5.510   6.319  1.00  1.62           N  
ATOM    586  OXT ASN A  41      -6.985   5.895   1.061  1.00  1.22           O  
ATOM    587  H   ASN A  41      -4.522   4.555   2.512  1.00  0.69           H  
ATOM    588  HA  ASN A  41      -7.054   4.498   3.951  1.00  0.83           H  
ATOM    589  HB2 ASN A  41      -4.918   6.543   3.330  1.00  0.97           H  
ATOM    590  HB3 ASN A  41      -6.385   6.998   4.198  1.00  1.00           H  
ATOM    591 HD21 ASN A  41      -6.826   5.778   6.277  1.00  2.10           H  
ATOM    592 HD22 ASN A  41      -5.512   5.155   7.153  1.00  1.84           H  
TER     593      ASN A  41                                                      
MASTER      123    0    0    2    3    0    0    6  308    1    0    4          
END