HEADER    ANTIMICROBIAL PROTEIN                   23-APR-08   2K38              
TITLE     CUPIENNIN 1A, NMR, MINIMIZED AVERAGE STRUCTURE                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CUPIENNIN-1A;                                              
COMPND   3 CHAIN: A                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CUPIENNIUS SALEI;                               
SOURCE   3 ORGANISM_COMMON: WANDERING SPIDER                                    
KEYWDS    ANTIBACTERIAL, MEMBRANE ACTIVE, AMIDATION, ANTIBIOTIC, ANTIMICROBIAL, 
KEYWDS   2 CYTOLYSIS, HEMOLYSIS, NEUROTOXIN, SECRETED, HELIX-HINGE-HELIX,       
KEYWDS   3 ANTIMICROBIAL PROTEIN                                                
EXPDTA    SOLUTION NMR                                                          
AUTHOR    T.L.PUKALA,M.P.BOLAND,J.D.GEHMAN,L.KUHN-NENTWIG,F.SEPAROVIC,J.H.BOWIE 
REVDAT   3   16-MAR-22 2K38    1       REMARK LINK                              
REVDAT   2   24-FEB-09 2K38    1       VERSN                                    
REVDAT   1   20-MAY-08 2K38    0                                                
JRNL        AUTH   T.L.PUKALA,M.P.BOLAND,J.D.GEHMAN,L.KUHN-NENTWIG,F.SEPAROVIC, 
JRNL        AUTH 2 J.H.BOWIE                                                    
JRNL        TITL   SOLUTION STRUCTURE AND INTERACTION OF CUPIENNIN 1A, A SPIDER 
JRNL        TITL 2 VENOM PEPTIDE, WITH PHOSPHOLIPID BILAYERS                    
JRNL        REF    BIOCHEMISTRY                  V.  46  3576 2007              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   17319697                                                     
JRNL        DOI    10.1021/BI062306+                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2K38 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-APR-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000100619.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 2.6                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 2 MM CUPIENNIN 1A,                 
REMARK 210                                   TRIFLUOROETHANOL/WATER             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D 1H-1H TOCSY;    
REMARK 210                                   2D DQF-COSY; 2D 1H-13C HSQC        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : ARIA, SPARKY                       
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
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: 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    ALA A  14       45.15   -104.41                                   
REMARK 500    LYS A  15      -47.41   -131.91                                   
REMARK 500    GLN A  20       58.39   -103.29                                   
REMARK 500    LYS A  27      -33.95   -136.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 36                  
DBREF  2K38 A    1    35  UNP    P83619   TXC1A_CUPSA      1     35             
SEQRES   1 A   36  GLY PHE GLY ALA LEU PHE LYS PHE LEU ALA LYS LYS VAL          
SEQRES   2 A   36  ALA LYS THR VAL ALA LYS GLN ALA ALA LYS GLN GLY ALA          
SEQRES   3 A   36  LYS TYR VAL VAL ASN LYS GLN MET GLU NH2                      
HET    NH2  A  36       3                                                       
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  NH2    H2 N                                                         
HELIX    1   1 ALA A    4  LEU A    9  1                                   6    
HELIX    2   2 LYS A   12  VAL A   17  1                                   6    
LINK         C   GLU A  35                 N   NH2 A  36     1555   1555  1.33  
SITE     1 AC1  4 LYS A  32  GLN A  33  MET A  34  GLU A  35                    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
ATOM      1  N   GLY A   1     -21.977  12.660  -0.647  1.00  0.00           N  
ATOM      2  CA  GLY A   1     -23.184  11.985  -1.198  1.00  0.00           C  
ATOM      3  C   GLY A   1     -23.006  10.484  -1.315  1.00  0.00           C  
ATOM      4  O   GLY A   1     -23.938   9.720  -1.062  1.00  0.00           O  
ATOM      5  H1  GLY A   1     -21.139  12.057  -0.775  1.00  0.00           H  
ATOM      6  H2  GLY A   1     -22.103  12.846   0.368  1.00  0.00           H  
ATOM      7  H3  GLY A   1     -21.818  13.564  -1.136  1.00  0.00           H  
ATOM      8  HA2 GLY A   1     -24.024  12.187  -0.550  1.00  0.00           H  
ATOM      9  HA3 GLY A   1     -23.393  12.389  -2.177  1.00  0.00           H  
ATOM     10  N   PHE A   2     -21.806  10.060  -1.700  1.00  0.00           N  
ATOM     11  CA  PHE A   2     -21.508   8.640  -1.852  1.00  0.00           C  
ATOM     12  C   PHE A   2     -20.796   8.097  -0.616  1.00  0.00           C  
ATOM     13  O   PHE A   2     -19.584   7.879  -0.628  1.00  0.00           O  
ATOM     14  CB  PHE A   2     -20.650   8.408  -3.099  1.00  0.00           C  
ATOM     15  CG  PHE A   2     -21.325   7.562  -4.141  1.00  0.00           C  
ATOM     16  CD1 PHE A   2     -22.272   8.110  -4.990  1.00  0.00           C  
ATOM     17  CD2 PHE A   2     -21.011   6.218  -4.270  1.00  0.00           C  
ATOM     18  CE1 PHE A   2     -22.895   7.334  -5.950  1.00  0.00           C  
ATOM     19  CE2 PHE A   2     -21.630   5.437  -5.228  1.00  0.00           C  
ATOM     20  CZ  PHE A   2     -22.573   5.995  -6.068  1.00  0.00           C  
ATOM     21  H   PHE A   2     -21.104  10.718  -1.885  1.00  0.00           H  
ATOM     22  HA  PHE A   2     -22.444   8.116  -1.969  1.00  0.00           H  
ATOM     23  HB2 PHE A   2     -20.415   9.361  -3.547  1.00  0.00           H  
ATOM     24  HB3 PHE A   2     -19.734   7.915  -2.811  1.00  0.00           H  
ATOM     25  HD1 PHE A   2     -22.525   9.156  -4.898  1.00  0.00           H  
ATOM     26  HD2 PHE A   2     -20.274   5.781  -3.613  1.00  0.00           H  
ATOM     27  HE1 PHE A   2     -23.631   7.772  -6.606  1.00  0.00           H  
ATOM     28  HE2 PHE A   2     -21.376   4.391  -5.319  1.00  0.00           H  
ATOM     29  HZ  PHE A   2     -23.058   5.387  -6.817  1.00  0.00           H  
ATOM     30  N   GLY A   3     -21.557   7.887   0.453  1.00  0.00           N  
ATOM     31  CA  GLY A   3     -20.985   7.368   1.682  1.00  0.00           C  
ATOM     32  C   GLY A   3     -21.013   5.853   1.739  1.00  0.00           C  
ATOM     33  O   GLY A   3     -20.902   5.263   2.813  1.00  0.00           O  
ATOM     34  H   GLY A   3     -22.516   8.084   0.407  1.00  0.00           H  
ATOM     35  HA2 GLY A   3     -19.961   7.702   1.759  1.00  0.00           H  
ATOM     36  HA3 GLY A   3     -21.543   7.759   2.520  1.00  0.00           H  
ATOM     37  N   ALA A   4     -21.161   5.224   0.577  1.00  0.00           N  
ATOM     38  CA  ALA A   4     -21.208   3.769   0.495  1.00  0.00           C  
ATOM     39  C   ALA A   4     -19.839   3.188   0.162  1.00  0.00           C  
ATOM     40  O   ALA A   4     -19.643   1.973   0.209  1.00  0.00           O  
ATOM     41  CB  ALA A   4     -22.227   3.332  -0.545  1.00  0.00           C  
ATOM     42  H   ALA A   4     -21.241   5.751  -0.245  1.00  0.00           H  
ATOM     43  HA  ALA A   4     -21.525   3.390   1.455  1.00  0.00           H  
ATOM     44  HB1 ALA A   4     -22.849   4.173  -0.814  1.00  0.00           H  
ATOM     45  HB2 ALA A   4     -21.712   2.969  -1.424  1.00  0.00           H  
ATOM     46  HB3 ALA A   4     -22.842   2.543  -0.137  1.00  0.00           H  
ATOM     47  N   LEU A   5     -18.894   4.059  -0.173  1.00  0.00           N  
ATOM     48  CA  LEU A   5     -17.547   3.621  -0.517  1.00  0.00           C  
ATOM     49  C   LEU A   5     -16.709   3.389   0.735  1.00  0.00           C  
ATOM     50  O   LEU A   5     -15.628   2.805   0.668  1.00  0.00           O  
ATOM     51  CB  LEU A   5     -16.864   4.642  -1.428  1.00  0.00           C  
ATOM     52  CG  LEU A   5     -17.016   6.104  -1.002  1.00  0.00           C  
ATOM     53  CD1 LEU A   5     -15.873   6.515  -0.087  1.00  0.00           C  
ATOM     54  CD2 LEU A   5     -17.075   7.009  -2.224  1.00  0.00           C  
ATOM     55  H   LEU A   5     -19.107   5.015  -0.191  1.00  0.00           H  
ATOM     56  HA  LEU A   5     -17.635   2.685  -1.048  1.00  0.00           H  
ATOM     57  HB2 LEU A   5     -15.811   4.407  -1.467  1.00  0.00           H  
ATOM     58  HB3 LEU A   5     -17.276   4.536  -2.420  1.00  0.00           H  
ATOM     59  HG  LEU A   5     -17.940   6.219  -0.454  1.00  0.00           H  
ATOM     60 HD11 LEU A   5     -16.051   6.129   0.906  1.00  0.00           H  
ATOM     61 HD12 LEU A   5     -14.945   6.115  -0.468  1.00  0.00           H  
ATOM     62 HD13 LEU A   5     -15.813   7.593  -0.049  1.00  0.00           H  
ATOM     63 HD21 LEU A   5     -17.913   6.724  -2.843  1.00  0.00           H  
ATOM     64 HD22 LEU A   5     -17.194   8.035  -1.906  1.00  0.00           H  
ATOM     65 HD23 LEU A   5     -16.160   6.912  -2.789  1.00  0.00           H  
ATOM     66  N   PHE A   6     -17.209   3.850   1.876  1.00  0.00           N  
ATOM     67  CA  PHE A   6     -16.501   3.679   3.138  1.00  0.00           C  
ATOM     68  C   PHE A   6     -16.625   2.242   3.629  1.00  0.00           C  
ATOM     69  O   PHE A   6     -15.941   1.831   4.567  1.00  0.00           O  
ATOM     70  CB  PHE A   6     -17.043   4.647   4.192  1.00  0.00           C  
ATOM     71  CG  PHE A   6     -16.705   6.088   3.922  1.00  0.00           C  
ATOM     72  CD1 PHE A   6     -15.427   6.455   3.524  1.00  0.00           C  
ATOM     73  CD2 PHE A   6     -17.666   7.076   4.068  1.00  0.00           C  
ATOM     74  CE1 PHE A   6     -15.117   7.779   3.277  1.00  0.00           C  
ATOM     75  CE2 PHE A   6     -17.360   8.401   3.822  1.00  0.00           C  
ATOM     76  CZ  PHE A   6     -16.085   8.753   3.427  1.00  0.00           C  
ATOM     77  H   PHE A   6     -18.071   4.315   1.869  1.00  0.00           H  
ATOM     78  HA  PHE A   6     -15.457   3.897   2.964  1.00  0.00           H  
ATOM     79  HB2 PHE A   6     -18.119   4.561   4.229  1.00  0.00           H  
ATOM     80  HB3 PHE A   6     -16.634   4.384   5.157  1.00  0.00           H  
ATOM     81  HD1 PHE A   6     -14.669   5.693   3.404  1.00  0.00           H  
ATOM     82  HD2 PHE A   6     -18.663   6.802   4.377  1.00  0.00           H  
ATOM     83  HE1 PHE A   6     -14.118   8.052   2.968  1.00  0.00           H  
ATOM     84  HE2 PHE A   6     -18.119   9.161   3.940  1.00  0.00           H  
ATOM     85  HZ  PHE A   6     -15.844   9.788   3.235  1.00  0.00           H  
ATOM     86  N   LYS A   7     -17.505   1.484   2.984  1.00  0.00           N  
ATOM     87  CA  LYS A   7     -17.724   0.087   3.337  1.00  0.00           C  
ATOM     88  C   LYS A   7     -17.439  -0.813   2.140  1.00  0.00           C  
ATOM     89  O   LYS A   7     -17.350  -2.034   2.273  1.00  0.00           O  
ATOM     90  CB  LYS A   7     -19.160  -0.123   3.821  1.00  0.00           C  
ATOM     91  CG  LYS A   7     -20.209   0.460   2.887  1.00  0.00           C  
ATOM     92  CD  LYS A   7     -21.614   0.266   3.435  1.00  0.00           C  
ATOM     93  CE  LYS A   7     -22.670   0.616   2.399  1.00  0.00           C  
ATOM     94  NZ  LYS A   7     -22.988  -0.540   1.516  1.00  0.00           N  
ATOM     95  H   LYS A   7     -18.022   1.875   2.249  1.00  0.00           H  
ATOM     96  HA  LYS A   7     -17.041  -0.166   4.135  1.00  0.00           H  
ATOM     97  HB2 LYS A   7     -19.344  -1.183   3.917  1.00  0.00           H  
ATOM     98  HB3 LYS A   7     -19.273   0.342   4.789  1.00  0.00           H  
ATOM     99  HG2 LYS A   7     -20.023   1.517   2.768  1.00  0.00           H  
ATOM    100  HG3 LYS A   7     -20.135  -0.031   1.928  1.00  0.00           H  
ATOM    101  HD2 LYS A   7     -21.737  -0.766   3.726  1.00  0.00           H  
ATOM    102  HD3 LYS A   7     -21.743   0.903   4.298  1.00  0.00           H  
ATOM    103  HE2 LYS A   7     -23.570   0.924   2.911  1.00  0.00           H  
ATOM    104  HE3 LYS A   7     -22.306   1.433   1.792  1.00  0.00           H  
ATOM    105  HZ1 LYS A   7     -22.144  -1.133   1.387  1.00  0.00           H  
ATOM    106  HZ2 LYS A   7     -23.307  -0.202   0.586  1.00  0.00           H  
ATOM    107  HZ3 LYS A   7     -23.743  -1.116   1.940  1.00  0.00           H  
ATOM    108  N   PHE A   8     -17.296  -0.197   0.969  1.00  0.00           N  
ATOM    109  CA  PHE A   8     -17.019  -0.934  -0.257  1.00  0.00           C  
ATOM    110  C   PHE A   8     -15.521  -0.932  -0.560  1.00  0.00           C  
ATOM    111  O   PHE A   8     -14.996  -1.879  -1.147  1.00  0.00           O  
ATOM    112  CB  PHE A   8     -17.829  -0.339  -1.422  1.00  0.00           C  
ATOM    113  CG  PHE A   8     -17.054  -0.124  -2.695  1.00  0.00           C  
ATOM    114  CD1 PHE A   8     -16.710  -1.193  -3.509  1.00  0.00           C  
ATOM    115  CD2 PHE A   8     -16.680   1.153  -3.081  1.00  0.00           C  
ATOM    116  CE1 PHE A   8     -16.006  -0.991  -4.681  1.00  0.00           C  
ATOM    117  CE2 PHE A   8     -15.979   1.361  -4.252  1.00  0.00           C  
ATOM    118  CZ  PHE A   8     -15.640   0.289  -5.053  1.00  0.00           C  
ATOM    119  H   PHE A   8     -17.381   0.778   0.931  1.00  0.00           H  
ATOM    120  HA  PHE A   8     -17.334  -1.954  -0.102  1.00  0.00           H  
ATOM    121  HB2 PHE A   8     -18.649  -1.003  -1.649  1.00  0.00           H  
ATOM    122  HB3 PHE A   8     -18.229   0.617  -1.113  1.00  0.00           H  
ATOM    123  HD1 PHE A   8     -16.995  -2.193  -3.218  1.00  0.00           H  
ATOM    124  HD2 PHE A   8     -16.941   1.992  -2.456  1.00  0.00           H  
ATOM    125  HE1 PHE A   8     -15.743  -1.831  -5.305  1.00  0.00           H  
ATOM    126  HE2 PHE A   8     -15.696   2.363  -4.540  1.00  0.00           H  
ATOM    127  HZ  PHE A   8     -15.091   0.450  -5.969  1.00  0.00           H  
ATOM    128  N   LEU A   9     -14.835   0.131  -0.148  1.00  0.00           N  
ATOM    129  CA  LEU A   9     -13.397   0.241  -0.373  1.00  0.00           C  
ATOM    130  C   LEU A   9     -12.628  -0.588   0.647  1.00  0.00           C  
ATOM    131  O   LEU A   9     -11.463  -0.917   0.440  1.00  0.00           O  
ATOM    132  CB  LEU A   9     -12.945   1.700  -0.297  1.00  0.00           C  
ATOM    133  CG  LEU A   9     -13.400   2.585  -1.460  1.00  0.00           C  
ATOM    134  CD1 LEU A   9     -13.117   4.048  -1.158  1.00  0.00           C  
ATOM    135  CD2 LEU A   9     -12.714   2.164  -2.751  1.00  0.00           C  
ATOM    136  H   LEU A   9     -15.304   0.854   0.317  1.00  0.00           H  
ATOM    137  HA  LEU A   9     -13.187  -0.141  -1.361  1.00  0.00           H  
ATOM    138  HB2 LEU A   9     -13.322   2.120   0.620  1.00  0.00           H  
ATOM    139  HB3 LEU A   9     -11.867   1.719  -0.262  1.00  0.00           H  
ATOM    140  HG  LEU A   9     -14.467   2.472  -1.594  1.00  0.00           H  
ATOM    141 HD11 LEU A   9     -12.075   4.259  -1.347  1.00  0.00           H  
ATOM    142 HD12 LEU A   9     -13.731   4.671  -1.790  1.00  0.00           H  
ATOM    143 HD13 LEU A   9     -13.343   4.252  -0.122  1.00  0.00           H  
ATOM    144 HD21 LEU A   9     -12.086   2.968  -3.104  1.00  0.00           H  
ATOM    145 HD22 LEU A   9     -12.109   1.288  -2.568  1.00  0.00           H  
ATOM    146 HD23 LEU A   9     -13.460   1.935  -3.497  1.00  0.00           H  
ATOM    147  N   ALA A  10     -13.280  -0.920   1.754  1.00  0.00           N  
ATOM    148  CA  ALA A  10     -12.644  -1.719   2.791  1.00  0.00           C  
ATOM    149  C   ALA A  10     -12.404  -3.139   2.293  1.00  0.00           C  
ATOM    150  O   ALA A  10     -11.684  -3.918   2.917  1.00  0.00           O  
ATOM    151  CB  ALA A  10     -13.492  -1.729   4.054  1.00  0.00           C  
ATOM    152  H   ALA A  10     -14.206  -0.623   1.875  1.00  0.00           H  
ATOM    153  HA  ALA A  10     -11.690  -1.264   3.023  1.00  0.00           H  
ATOM    154  HB1 ALA A  10     -13.733  -0.714   4.333  1.00  0.00           H  
ATOM    155  HB2 ALA A  10     -14.403  -2.279   3.872  1.00  0.00           H  
ATOM    156  HB3 ALA A  10     -12.941  -2.201   4.854  1.00  0.00           H  
ATOM    157  N   LYS A  11     -13.019  -3.463   1.160  1.00  0.00           N  
ATOM    158  CA  LYS A  11     -12.876  -4.779   0.553  1.00  0.00           C  
ATOM    159  C   LYS A  11     -11.916  -4.712  -0.629  1.00  0.00           C  
ATOM    160  O   LYS A  11     -11.468  -5.738  -1.141  1.00  0.00           O  
ATOM    161  CB  LYS A  11     -14.238  -5.299   0.092  1.00  0.00           C  
ATOM    162  CG  LYS A  11     -14.345  -6.814   0.101  1.00  0.00           C  
ATOM    163  CD  LYS A  11     -15.793  -7.269   0.018  1.00  0.00           C  
ATOM    164  CE  LYS A  11     -16.041  -8.495   0.881  1.00  0.00           C  
ATOM    165  NZ  LYS A  11     -15.593  -9.746   0.209  1.00  0.00           N  
ATOM    166  H   LYS A  11     -13.586  -2.796   0.719  1.00  0.00           H  
ATOM    167  HA  LYS A  11     -12.473  -5.449   1.296  1.00  0.00           H  
ATOM    168  HB2 LYS A  11     -15.001  -4.902   0.746  1.00  0.00           H  
ATOM    169  HB3 LYS A  11     -14.422  -4.953  -0.914  1.00  0.00           H  
ATOM    170  HG2 LYS A  11     -13.805  -7.209  -0.746  1.00  0.00           H  
ATOM    171  HG3 LYS A  11     -13.910  -7.191   1.016  1.00  0.00           H  
ATOM    172  HD2 LYS A  11     -16.432  -6.468   0.356  1.00  0.00           H  
ATOM    173  HD3 LYS A  11     -16.026  -7.509  -1.009  1.00  0.00           H  
ATOM    174  HE2 LYS A  11     -15.499  -8.383   1.808  1.00  0.00           H  
ATOM    175  HE3 LYS A  11     -17.098  -8.566   1.088  1.00  0.00           H  
ATOM    176  HZ1 LYS A  11     -15.397 -10.482   0.917  1.00  0.00           H  
ATOM    177  HZ2 LYS A  11     -14.728  -9.568  -0.339  1.00  0.00           H  
ATOM    178  HZ3 LYS A  11     -16.334 -10.090  -0.437  1.00  0.00           H  
ATOM    179  N   LYS A  12     -11.608  -3.490  -1.055  1.00  0.00           N  
ATOM    180  CA  LYS A  12     -10.699  -3.269  -2.172  1.00  0.00           C  
ATOM    181  C   LYS A  12      -9.411  -2.615  -1.688  1.00  0.00           C  
ATOM    182  O   LYS A  12      -8.331  -3.197  -1.795  1.00  0.00           O  
ATOM    183  CB  LYS A  12     -11.366  -2.392  -3.235  1.00  0.00           C  
ATOM    184  CG  LYS A  12     -11.103  -2.856  -4.658  1.00  0.00           C  
ATOM    185  CD  LYS A  12     -11.855  -4.139  -4.974  1.00  0.00           C  
ATOM    186  CE  LYS A  12     -13.199  -3.851  -5.625  1.00  0.00           C  
ATOM    187  NZ  LYS A  12     -14.047  -5.072  -5.711  1.00  0.00           N  
ATOM    188  H   LYS A  12     -12.002  -2.716  -0.602  1.00  0.00           H  
ATOM    189  HA  LYS A  12     -10.463  -4.230  -2.605  1.00  0.00           H  
ATOM    190  HB2 LYS A  12     -12.433  -2.394  -3.069  1.00  0.00           H  
ATOM    191  HB3 LYS A  12     -10.997  -1.382  -3.134  1.00  0.00           H  
ATOM    192  HG2 LYS A  12     -11.424  -2.085  -5.342  1.00  0.00           H  
ATOM    193  HG3 LYS A  12     -10.044  -3.030  -4.780  1.00  0.00           H  
ATOM    194  HD2 LYS A  12     -11.261  -4.736  -5.648  1.00  0.00           H  
ATOM    195  HD3 LYS A  12     -12.019  -4.683  -4.056  1.00  0.00           H  
ATOM    196  HE2 LYS A  12     -13.716  -3.106  -5.039  1.00  0.00           H  
ATOM    197  HE3 LYS A  12     -13.028  -3.470  -6.621  1.00  0.00           H  
ATOM    198  HZ1 LYS A  12     -15.041  -4.831  -5.521  1.00  0.00           H  
ATOM    199  HZ2 LYS A  12     -13.733  -5.776  -5.014  1.00  0.00           H  
ATOM    200  HZ3 LYS A  12     -13.978  -5.488  -6.662  1.00  0.00           H  
ATOM    201  N   VAL A  13      -9.533  -1.400  -1.158  1.00  0.00           N  
ATOM    202  CA  VAL A  13      -8.382  -0.670  -0.644  1.00  0.00           C  
ATOM    203  C   VAL A  13      -7.647  -1.488   0.415  1.00  0.00           C  
ATOM    204  O   VAL A  13      -6.426  -1.397   0.549  1.00  0.00           O  
ATOM    205  CB  VAL A  13      -8.804   0.687  -0.046  1.00  0.00           C  
ATOM    206  CG1 VAL A  13      -7.633   1.362   0.653  1.00  0.00           C  
ATOM    207  CG2 VAL A  13      -9.375   1.589  -1.130  1.00  0.00           C  
ATOM    208  H   VAL A  13     -10.421  -0.982  -1.115  1.00  0.00           H  
ATOM    209  HA  VAL A  13      -7.712  -0.483  -1.468  1.00  0.00           H  
ATOM    210  HB  VAL A  13      -9.578   0.509   0.688  1.00  0.00           H  
ATOM    211 HG11 VAL A  13      -6.723   1.157   0.109  1.00  0.00           H  
ATOM    212 HG12 VAL A  13      -7.800   2.429   0.686  1.00  0.00           H  
ATOM    213 HG13 VAL A  13      -7.545   0.980   1.659  1.00  0.00           H  
ATOM    214 HG21 VAL A  13      -8.587   1.874  -1.812  1.00  0.00           H  
ATOM    215 HG22 VAL A  13     -10.145   1.060  -1.670  1.00  0.00           H  
ATOM    216 HG23 VAL A  13      -9.796   2.475  -0.677  1.00  0.00           H  
ATOM    217  N   ALA A  14      -8.399  -2.291   1.161  1.00  0.00           N  
ATOM    218  CA  ALA A  14      -7.822  -3.128   2.207  1.00  0.00           C  
ATOM    219  C   ALA A  14      -7.748  -4.585   1.762  1.00  0.00           C  
ATOM    220  O   ALA A  14      -8.097  -5.495   2.516  1.00  0.00           O  
ATOM    221  CB  ALA A  14      -8.632  -3.002   3.489  1.00  0.00           C  
ATOM    222  H   ALA A  14      -9.367  -2.322   1.004  1.00  0.00           H  
ATOM    223  HA  ALA A  14      -6.822  -2.771   2.405  1.00  0.00           H  
ATOM    224  HB1 ALA A  14      -9.258  -2.124   3.435  1.00  0.00           H  
ATOM    225  HB2 ALA A  14      -9.252  -3.879   3.611  1.00  0.00           H  
ATOM    226  HB3 ALA A  14      -7.962  -2.915   4.331  1.00  0.00           H  
ATOM    227  N   LYS A  15      -7.288  -4.800   0.533  1.00  0.00           N  
ATOM    228  CA  LYS A  15      -7.168  -6.146  -0.015  1.00  0.00           C  
ATOM    229  C   LYS A  15      -5.799  -6.358  -0.652  1.00  0.00           C  
ATOM    230  O   LYS A  15      -5.140  -7.369  -0.406  1.00  0.00           O  
ATOM    231  CB  LYS A  15      -8.265  -6.397  -1.046  1.00  0.00           C  
ATOM    232  CG  LYS A  15      -8.424  -7.861  -1.424  1.00  0.00           C  
ATOM    233  CD  LYS A  15      -9.222  -8.624  -0.379  1.00  0.00           C  
ATOM    234  CE  LYS A  15      -8.858 -10.100  -0.369  1.00  0.00           C  
ATOM    235  NZ  LYS A  15      -9.801 -10.899   0.461  1.00  0.00           N  
ATOM    236  H   LYS A  15      -7.024  -4.034  -0.019  1.00  0.00           H  
ATOM    237  HA  LYS A  15      -7.287  -6.844   0.794  1.00  0.00           H  
ATOM    238  HB2 LYS A  15      -9.206  -6.045  -0.649  1.00  0.00           H  
ATOM    239  HB3 LYS A  15      -8.031  -5.842  -1.937  1.00  0.00           H  
ATOM    240  HG2 LYS A  15      -8.939  -7.924  -2.371  1.00  0.00           H  
ATOM    241  HG3 LYS A  15      -7.445  -8.308  -1.514  1.00  0.00           H  
ATOM    242  HD2 LYS A  15      -9.013  -8.206   0.595  1.00  0.00           H  
ATOM    243  HD3 LYS A  15     -10.274  -8.523  -0.598  1.00  0.00           H  
ATOM    244  HE2 LYS A  15      -8.882 -10.470  -1.383  1.00  0.00           H  
ATOM    245  HE3 LYS A  15      -7.860 -10.209   0.029  1.00  0.00           H  
ATOM    246  HZ1 LYS A  15     -10.614 -11.201  -0.113  1.00  0.00           H  
ATOM    247  HZ2 LYS A  15     -10.147 -10.329   1.258  1.00  0.00           H  
ATOM    248  HZ3 LYS A  15      -9.321 -11.742   0.835  1.00  0.00           H  
ATOM    249  N   THR A  16      -5.377  -5.400  -1.471  1.00  0.00           N  
ATOM    250  CA  THR A  16      -4.087  -5.482  -2.145  1.00  0.00           C  
ATOM    251  C   THR A  16      -2.949  -5.090  -1.208  1.00  0.00           C  
ATOM    252  O   THR A  16      -1.855  -5.650  -1.277  1.00  0.00           O  
ATOM    253  CB  THR A  16      -4.046  -4.579  -3.391  1.00  0.00           C  
ATOM    254  OG1 THR A  16      -5.292  -4.656  -4.093  1.00  0.00           O  
ATOM    255  CG2 THR A  16      -2.911  -4.988  -4.318  1.00  0.00           C  
ATOM    256  H   THR A  16      -5.949  -4.619  -1.627  1.00  0.00           H  
ATOM    257  HA  THR A  16      -3.941  -6.504  -2.462  1.00  0.00           H  
ATOM    258  HB  THR A  16      -3.881  -3.559  -3.074  1.00  0.00           H  
ATOM    259  HG1 THR A  16      -5.926  -4.060  -3.687  1.00  0.00           H  
ATOM    260 HG21 THR A  16      -3.184  -4.770  -5.340  1.00  0.00           H  
ATOM    261 HG22 THR A  16      -2.726  -6.047  -4.214  1.00  0.00           H  
ATOM    262 HG23 THR A  16      -2.018  -4.440  -4.059  1.00  0.00           H  
ATOM    263  N   VAL A  17      -3.214  -4.125  -0.332  1.00  0.00           N  
ATOM    264  CA  VAL A  17      -2.212  -3.659   0.619  1.00  0.00           C  
ATOM    265  C   VAL A  17      -1.844  -4.757   1.612  1.00  0.00           C  
ATOM    266  O   VAL A  17      -0.704  -4.838   2.068  1.00  0.00           O  
ATOM    267  CB  VAL A  17      -2.705  -2.423   1.397  1.00  0.00           C  
ATOM    268  CG1 VAL A  17      -1.587  -1.849   2.255  1.00  0.00           C  
ATOM    269  CG2 VAL A  17      -3.246  -1.370   0.442  1.00  0.00           C  
ATOM    270  H   VAL A  17      -4.106  -3.718  -0.325  1.00  0.00           H  
ATOM    271  HA  VAL A  17      -1.329  -3.380   0.063  1.00  0.00           H  
ATOM    272  HB  VAL A  17      -3.507  -2.732   2.051  1.00  0.00           H  
ATOM    273 HG11 VAL A  17      -1.598  -2.322   3.225  1.00  0.00           H  
ATOM    274 HG12 VAL A  17      -0.636  -2.031   1.776  1.00  0.00           H  
ATOM    275 HG13 VAL A  17      -1.733  -0.785   2.372  1.00  0.00           H  
ATOM    276 HG21 VAL A  17      -3.858  -0.668   0.990  1.00  0.00           H  
ATOM    277 HG22 VAL A  17      -2.423  -0.846  -0.020  1.00  0.00           H  
ATOM    278 HG23 VAL A  17      -3.843  -1.848  -0.320  1.00  0.00           H  
ATOM    279  N   ALA A  18      -2.819  -5.600   1.942  1.00  0.00           N  
ATOM    280  CA  ALA A  18      -2.601  -6.694   2.881  1.00  0.00           C  
ATOM    281  C   ALA A  18      -1.493  -7.623   2.396  1.00  0.00           C  
ATOM    282  O   ALA A  18      -0.768  -8.212   3.198  1.00  0.00           O  
ATOM    283  CB  ALA A  18      -3.891  -7.473   3.090  1.00  0.00           C  
ATOM    284  H   ALA A  18      -3.707  -5.482   1.543  1.00  0.00           H  
ATOM    285  HA  ALA A  18      -2.309  -6.266   3.829  1.00  0.00           H  
ATOM    286  HB1 ALA A  18      -4.531  -7.348   2.229  1.00  0.00           H  
ATOM    287  HB2 ALA A  18      -3.662  -8.520   3.220  1.00  0.00           H  
ATOM    288  HB3 ALA A  18      -4.395  -7.103   3.971  1.00  0.00           H  
ATOM    289  N   LYS A  19      -1.367  -7.749   1.078  1.00  0.00           N  
ATOM    290  CA  LYS A  19      -0.347  -8.606   0.485  1.00  0.00           C  
ATOM    291  C   LYS A  19       0.947  -7.833   0.254  1.00  0.00           C  
ATOM    292  O   LYS A  19       2.033  -8.414   0.232  1.00  0.00           O  
ATOM    293  CB  LYS A  19      -0.849  -9.189  -0.838  1.00  0.00           C  
ATOM    294  CG  LYS A  19      -0.114 -10.449  -1.267  1.00  0.00           C  
ATOM    295  CD  LYS A  19      -0.196 -10.656  -2.770  1.00  0.00           C  
ATOM    296  CE  LYS A  19      -0.543 -12.096  -3.117  1.00  0.00           C  
ATOM    297  NZ  LYS A  19      -1.854 -12.505  -2.542  1.00  0.00           N  
ATOM    298  H   LYS A  19      -1.975  -7.253   0.491  1.00  0.00           H  
ATOM    299  HA  LYS A  19      -0.152  -9.414   1.173  1.00  0.00           H  
ATOM    300  HB2 LYS A  19      -1.898  -9.426  -0.738  1.00  0.00           H  
ATOM    301  HB3 LYS A  19      -0.730  -8.447  -1.613  1.00  0.00           H  
ATOM    302  HG2 LYS A  19       0.924 -10.363  -0.981  1.00  0.00           H  
ATOM    303  HG3 LYS A  19      -0.558 -11.299  -0.770  1.00  0.00           H  
ATOM    304  HD2 LYS A  19      -0.958 -10.007  -3.173  1.00  0.00           H  
ATOM    305  HD3 LYS A  19       0.759 -10.409  -3.210  1.00  0.00           H  
ATOM    306  HE2 LYS A  19      -0.584 -12.194  -4.191  1.00  0.00           H  
ATOM    307  HE3 LYS A  19       0.230 -12.742  -2.726  1.00  0.00           H  
ATOM    308  HZ1 LYS A  19      -1.992 -13.529  -2.661  1.00  0.00           H  
ATOM    309  HZ2 LYS A  19      -2.628 -12.004  -3.024  1.00  0.00           H  
ATOM    310  HZ3 LYS A  19      -1.887 -12.277  -1.528  1.00  0.00           H  
ATOM    311  N   GLN A  20       0.825  -6.520   0.084  1.00  0.00           N  
ATOM    312  CA  GLN A  20       1.986  -5.666  -0.144  1.00  0.00           C  
ATOM    313  C   GLN A  20       2.351  -4.897   1.123  1.00  0.00           C  
ATOM    314  O   GLN A  20       2.378  -3.666   1.129  1.00  0.00           O  
ATOM    315  CB  GLN A  20       1.712  -4.688  -1.290  1.00  0.00           C  
ATOM    316  CG  GLN A  20       1.022  -5.327  -2.485  1.00  0.00           C  
ATOM    317  CD  GLN A  20       1.795  -5.137  -3.776  1.00  0.00           C  
ATOM    318  OE1 GLN A  20       2.611  -4.224  -3.897  1.00  0.00           O  
ATOM    319  NE2 GLN A  20       1.539  -6.003  -4.750  1.00  0.00           N  
ATOM    320  H   GLN A  20      -0.067  -6.115   0.112  1.00  0.00           H  
ATOM    321  HA  GLN A  20       2.815  -6.302  -0.416  1.00  0.00           H  
ATOM    322  HB2 GLN A  20       1.084  -3.890  -0.923  1.00  0.00           H  
ATOM    323  HB3 GLN A  20       2.651  -4.272  -1.624  1.00  0.00           H  
ATOM    324  HG2 GLN A  20       0.915  -6.385  -2.300  1.00  0.00           H  
ATOM    325  HG3 GLN A  20       0.044  -4.882  -2.598  1.00  0.00           H  
ATOM    326 HE21 GLN A  20       0.876  -6.705  -4.583  1.00  0.00           H  
ATOM    327 HE22 GLN A  20       2.024  -5.903  -5.596  1.00  0.00           H  
ATOM    328  N   ALA A  21       2.629  -5.632   2.194  1.00  0.00           N  
ATOM    329  CA  ALA A  21       2.993  -5.021   3.467  1.00  0.00           C  
ATOM    330  C   ALA A  21       4.480  -4.685   3.507  1.00  0.00           C  
ATOM    331  O   ALA A  21       4.973  -4.125   4.486  1.00  0.00           O  
ATOM    332  CB  ALA A  21       2.627  -5.945   4.618  1.00  0.00           C  
ATOM    333  H   ALA A  21       2.588  -6.609   2.127  1.00  0.00           H  
ATOM    334  HA  ALA A  21       2.425  -4.108   3.573  1.00  0.00           H  
ATOM    335  HB1 ALA A  21       3.364  -5.852   5.403  1.00  0.00           H  
ATOM    336  HB2 ALA A  21       1.655  -5.673   5.003  1.00  0.00           H  
ATOM    337  HB3 ALA A  21       2.602  -6.965   4.267  1.00  0.00           H  
ATOM    338  N   ALA A  22       5.188  -5.031   2.436  1.00  0.00           N  
ATOM    339  CA  ALA A  22       6.619  -4.767   2.348  1.00  0.00           C  
ATOM    340  C   ALA A  22       6.942  -3.867   1.160  1.00  0.00           C  
ATOM    341  O   ALA A  22       8.107  -3.689   0.803  1.00  0.00           O  
ATOM    342  CB  ALA A  22       7.390  -6.075   2.244  1.00  0.00           C  
ATOM    343  H   ALA A  22       4.737  -5.474   1.687  1.00  0.00           H  
ATOM    344  HA  ALA A  22       6.923  -4.270   3.257  1.00  0.00           H  
ATOM    345  HB1 ALA A  22       7.412  -6.399   1.214  1.00  0.00           H  
ATOM    346  HB2 ALA A  22       8.400  -5.928   2.597  1.00  0.00           H  
ATOM    347  HB3 ALA A  22       6.904  -6.828   2.848  1.00  0.00           H  
ATOM    348  N   LYS A  23       5.905  -3.300   0.551  1.00  0.00           N  
ATOM    349  CA  LYS A  23       6.083  -2.418  -0.597  1.00  0.00           C  
ATOM    350  C   LYS A  23       6.832  -1.149  -0.200  1.00  0.00           C  
ATOM    351  O   LYS A  23       7.471  -0.507  -1.034  1.00  0.00           O  
ATOM    352  CB  LYS A  23       4.727  -2.057  -1.209  1.00  0.00           C  
ATOM    353  CG  LYS A  23       3.850  -1.212  -0.299  1.00  0.00           C  
ATOM    354  CD  LYS A  23       3.287  -0.005  -1.032  1.00  0.00           C  
ATOM    355  CE  LYS A  23       1.887  -0.275  -1.558  1.00  0.00           C  
ATOM    356  NZ  LYS A  23       0.836   0.195  -0.613  1.00  0.00           N  
ATOM    357  H   LYS A  23       5.000  -3.479   0.881  1.00  0.00           H  
ATOM    358  HA  LYS A  23       6.669  -2.949  -1.333  1.00  0.00           H  
ATOM    359  HB2 LYS A  23       4.894  -1.507  -2.124  1.00  0.00           H  
ATOM    360  HB3 LYS A  23       4.196  -2.969  -1.440  1.00  0.00           H  
ATOM    361  HG2 LYS A  23       3.030  -1.817   0.057  1.00  0.00           H  
ATOM    362  HG3 LYS A  23       4.439  -0.871   0.539  1.00  0.00           H  
ATOM    363  HD2 LYS A  23       3.248   0.832  -0.350  1.00  0.00           H  
ATOM    364  HD3 LYS A  23       3.934   0.235  -1.862  1.00  0.00           H  
ATOM    365  HE2 LYS A  23       1.765   0.238  -2.501  1.00  0.00           H  
ATOM    366  HE3 LYS A  23       1.772  -1.338  -1.711  1.00  0.00           H  
ATOM    367  HZ1 LYS A  23       0.588  -0.565   0.052  1.00  0.00           H  
ATOM    368  HZ2 LYS A  23      -0.017   0.475  -1.136  1.00  0.00           H  
ATOM    369  HZ3 LYS A  23       1.182   1.014  -0.073  1.00  0.00           H  
ATOM    370  N   GLN A  24       6.748  -0.794   1.078  1.00  0.00           N  
ATOM    371  CA  GLN A  24       7.416   0.399   1.585  1.00  0.00           C  
ATOM    372  C   GLN A  24       8.270   0.070   2.805  1.00  0.00           C  
ATOM    373  O   GLN A  24       8.769   0.968   3.485  1.00  0.00           O  
ATOM    374  CB  GLN A  24       6.387   1.473   1.941  1.00  0.00           C  
ATOM    375  CG  GLN A  24       6.386   2.654   0.985  1.00  0.00           C  
ATOM    376  CD  GLN A  24       5.149   3.519   1.127  1.00  0.00           C  
ATOM    377  OE1 GLN A  24       4.047   3.016   1.345  1.00  0.00           O  
ATOM    378  NE2 GLN A  24       5.327   4.829   1.003  1.00  0.00           N  
ATOM    379  H   GLN A  24       6.226  -1.348   1.695  1.00  0.00           H  
ATOM    380  HA  GLN A  24       8.059   0.775   0.803  1.00  0.00           H  
ATOM    381  HB2 GLN A  24       5.402   1.029   1.932  1.00  0.00           H  
ATOM    382  HB3 GLN A  24       6.597   1.841   2.934  1.00  0.00           H  
ATOM    383  HG2 GLN A  24       7.256   3.262   1.183  1.00  0.00           H  
ATOM    384  HG3 GLN A  24       6.432   2.281  -0.028  1.00  0.00           H  
ATOM    385 HE21 GLN A  24       6.233   5.160   0.830  1.00  0.00           H  
ATOM    386 HE22 GLN A  24       4.544   5.413   1.090  1.00  0.00           H  
ATOM    387  N   GLY A  25       8.434  -1.221   3.077  1.00  0.00           N  
ATOM    388  CA  GLY A  25       9.230  -1.643   4.214  1.00  0.00           C  
ATOM    389  C   GLY A  25      10.715  -1.456   3.980  1.00  0.00           C  
ATOM    390  O   GLY A  25      11.488  -1.319   4.929  1.00  0.00           O  
ATOM    391  H   GLY A  25       8.012  -1.891   2.500  1.00  0.00           H  
ATOM    392  HA2 GLY A  25       8.937  -1.066   5.079  1.00  0.00           H  
ATOM    393  HA3 GLY A  25       9.035  -2.688   4.408  1.00  0.00           H  
ATOM    394  N   ALA A  26      11.115  -1.452   2.712  1.00  0.00           N  
ATOM    395  CA  ALA A  26      12.517  -1.279   2.352  1.00  0.00           C  
ATOM    396  C   ALA A  26      12.655  -0.491   1.054  1.00  0.00           C  
ATOM    397  O   ALA A  26      12.643  -1.064  -0.036  1.00  0.00           O  
ATOM    398  CB  ALA A  26      13.201  -2.632   2.225  1.00  0.00           C  
ATOM    399  H   ALA A  26      10.450  -1.570   2.002  1.00  0.00           H  
ATOM    400  HA  ALA A  26      13.000  -0.731   3.147  1.00  0.00           H  
ATOM    401  HB1 ALA A  26      13.763  -2.837   3.124  1.00  0.00           H  
ATOM    402  HB2 ALA A  26      12.455  -3.400   2.084  1.00  0.00           H  
ATOM    403  HB3 ALA A  26      13.870  -2.619   1.378  1.00  0.00           H  
ATOM    404  N   LYS A  27      12.786   0.826   1.177  1.00  0.00           N  
ATOM    405  CA  LYS A  27      12.926   1.693   0.012  1.00  0.00           C  
ATOM    406  C   LYS A  27      14.007   2.744   0.240  1.00  0.00           C  
ATOM    407  O   LYS A  27      14.710   3.137  -0.692  1.00  0.00           O  
ATOM    408  CB  LYS A  27      11.594   2.376  -0.306  1.00  0.00           C  
ATOM    409  CG  LYS A  27      11.556   3.022  -1.681  1.00  0.00           C  
ATOM    410  CD  LYS A  27      10.151   3.012  -2.263  1.00  0.00           C  
ATOM    411  CE  LYS A  27       9.829   1.680  -2.921  1.00  0.00           C  
ATOM    412  NZ  LYS A  27      10.838   1.311  -3.952  1.00  0.00           N  
ATOM    413  H   LYS A  27      12.788   1.225   2.073  1.00  0.00           H  
ATOM    414  HA  LYS A  27      13.212   1.075  -0.826  1.00  0.00           H  
ATOM    415  HB2 LYS A  27      10.804   1.641  -0.255  1.00  0.00           H  
ATOM    416  HB3 LYS A  27      11.410   3.141   0.433  1.00  0.00           H  
ATOM    417  HG2 LYS A  27      11.893   4.044  -1.597  1.00  0.00           H  
ATOM    418  HG3 LYS A  27      12.214   2.477  -2.342  1.00  0.00           H  
ATOM    419  HD2 LYS A  27       9.442   3.190  -1.469  1.00  0.00           H  
ATOM    420  HD3 LYS A  27      10.073   3.797  -3.001  1.00  0.00           H  
ATOM    421  HE2 LYS A  27       9.807   0.913  -2.161  1.00  0.00           H  
ATOM    422  HE3 LYS A  27       8.857   1.750  -3.388  1.00  0.00           H  
ATOM    423  HZ1 LYS A  27      11.155   2.160  -4.462  1.00  0.00           H  
ATOM    424  HZ2 LYS A  27      10.423   0.645  -4.636  1.00  0.00           H  
ATOM    425  HZ3 LYS A  27      11.661   0.861  -3.503  1.00  0.00           H  
ATOM    426  N   TYR A  28      14.135   3.195   1.484  1.00  0.00           N  
ATOM    427  CA  TYR A  28      15.131   4.201   1.834  1.00  0.00           C  
ATOM    428  C   TYR A  28      16.426   3.546   2.304  1.00  0.00           C  
ATOM    429  O   TYR A  28      17.354   4.227   2.740  1.00  0.00           O  
ATOM    430  CB  TYR A  28      14.590   5.129   2.923  1.00  0.00           C  
ATOM    431  CG  TYR A  28      14.518   6.579   2.501  1.00  0.00           C  
ATOM    432  CD1 TYR A  28      13.569   7.008   1.582  1.00  0.00           C  
ATOM    433  CD2 TYR A  28      15.399   7.519   3.021  1.00  0.00           C  
ATOM    434  CE1 TYR A  28      13.501   8.332   1.192  1.00  0.00           C  
ATOM    435  CE2 TYR A  28      15.337   8.845   2.637  1.00  0.00           C  
ATOM    436  CZ  TYR A  28      14.386   9.246   1.723  1.00  0.00           C  
ATOM    437  OH  TYR A  28      14.321  10.566   1.338  1.00  0.00           O  
ATOM    438  H   TYR A  28      13.545   2.843   2.184  1.00  0.00           H  
ATOM    439  HA  TYR A  28      15.338   4.783   0.949  1.00  0.00           H  
ATOM    440  HB2 TYR A  28      13.593   4.813   3.193  1.00  0.00           H  
ATOM    441  HB3 TYR A  28      15.230   5.066   3.791  1.00  0.00           H  
ATOM    442  HD1 TYR A  28      12.877   6.290   1.168  1.00  0.00           H  
ATOM    443  HD2 TYR A  28      16.144   7.201   3.737  1.00  0.00           H  
ATOM    444  HE1 TYR A  28      12.756   8.646   0.476  1.00  0.00           H  
ATOM    445  HE2 TYR A  28      16.031   9.561   3.053  1.00  0.00           H  
ATOM    446  HH  TYR A  28      13.491  10.726   0.882  1.00  0.00           H  
ATOM    447  N   VAL A  29      16.480   2.221   2.212  1.00  0.00           N  
ATOM    448  CA  VAL A  29      17.661   1.474   2.627  1.00  0.00           C  
ATOM    449  C   VAL A  29      18.152   0.556   1.512  1.00  0.00           C  
ATOM    450  O   VAL A  29      19.317   0.157   1.492  1.00  0.00           O  
ATOM    451  CB  VAL A  29      17.382   0.632   3.886  1.00  0.00           C  
ATOM    452  CG1 VAL A  29      17.092   1.531   5.078  1.00  0.00           C  
ATOM    453  CG2 VAL A  29      16.228  -0.330   3.643  1.00  0.00           C  
ATOM    454  H   VAL A  29      15.708   1.734   1.856  1.00  0.00           H  
ATOM    455  HA  VAL A  29      18.439   2.186   2.862  1.00  0.00           H  
ATOM    456  HB  VAL A  29      18.265   0.051   4.109  1.00  0.00           H  
ATOM    457 HG11 VAL A  29      16.070   1.389   5.396  1.00  0.00           H  
ATOM    458 HG12 VAL A  29      17.760   1.280   5.889  1.00  0.00           H  
ATOM    459 HG13 VAL A  29      17.241   2.563   4.795  1.00  0.00           H  
ATOM    460 HG21 VAL A  29      16.087  -0.950   4.516  1.00  0.00           H  
ATOM    461 HG22 VAL A  29      15.326   0.232   3.450  1.00  0.00           H  
ATOM    462 HG23 VAL A  29      16.453  -0.953   2.790  1.00  0.00           H  
ATOM    463  N   VAL A  30      17.257   0.224   0.586  1.00  0.00           N  
ATOM    464  CA  VAL A  30      17.603  -0.646  -0.533  1.00  0.00           C  
ATOM    465  C   VAL A  30      18.554   0.057  -1.496  1.00  0.00           C  
ATOM    466  O   VAL A  30      19.414  -0.576  -2.109  1.00  0.00           O  
ATOM    467  CB  VAL A  30      16.346  -1.103  -1.301  1.00  0.00           C  
ATOM    468  CG1 VAL A  30      15.583   0.094  -1.847  1.00  0.00           C  
ATOM    469  CG2 VAL A  30      16.721  -2.062  -2.422  1.00  0.00           C  
ATOM    470  H   VAL A  30      16.344   0.572   0.656  1.00  0.00           H  
ATOM    471  HA  VAL A  30      18.094  -1.522  -0.134  1.00  0.00           H  
ATOM    472  HB  VAL A  30      15.700  -1.627  -0.612  1.00  0.00           H  
ATOM    473 HG11 VAL A  30      15.785   0.959  -1.234  1.00  0.00           H  
ATOM    474 HG12 VAL A  30      15.898   0.289  -2.862  1.00  0.00           H  
ATOM    475 HG13 VAL A  30      14.524  -0.118  -1.834  1.00  0.00           H  
ATOM    476 HG21 VAL A  30      17.366  -1.557  -3.126  1.00  0.00           H  
ATOM    477 HG22 VAL A  30      17.237  -2.915  -2.009  1.00  0.00           H  
ATOM    478 HG23 VAL A  30      15.826  -2.393  -2.927  1.00  0.00           H  
ATOM    479  N   ASN A  31      18.395   1.371  -1.622  1.00  0.00           N  
ATOM    480  CA  ASN A  31      19.240   2.163  -2.507  1.00  0.00           C  
ATOM    481  C   ASN A  31      20.436   2.727  -1.747  1.00  0.00           C  
ATOM    482  O   ASN A  31      21.445   3.100  -2.346  1.00  0.00           O  
ATOM    483  CB  ASN A  31      18.435   3.302  -3.134  1.00  0.00           C  
ATOM    484  CG  ASN A  31      19.037   3.784  -4.439  1.00  0.00           C  
ATOM    485  OD1 ASN A  31      18.761   3.234  -5.504  1.00  0.00           O  
ATOM    486  ND2 ASN A  31      19.867   4.818  -4.361  1.00  0.00           N  
ATOM    487  H   ASN A  31      17.690   1.818  -1.108  1.00  0.00           H  
ATOM    488  HA  ASN A  31      19.601   1.514  -3.291  1.00  0.00           H  
ATOM    489  HB2 ASN A  31      17.429   2.959  -3.328  1.00  0.00           H  
ATOM    490  HB3 ASN A  31      18.400   4.132  -2.444  1.00  0.00           H  
ATOM    491 HD21 ASN A  31      20.042   5.206  -3.478  1.00  0.00           H  
ATOM    492 HD22 ASN A  31      20.272   5.150  -5.189  1.00  0.00           H  
ATOM    493  N   LYS A  32      20.312   2.787  -0.425  1.00  0.00           N  
ATOM    494  CA  LYS A  32      21.380   3.304   0.423  1.00  0.00           C  
ATOM    495  C   LYS A  32      22.487   2.269   0.594  1.00  0.00           C  
ATOM    496  O   LYS A  32      23.661   2.616   0.722  1.00  0.00           O  
ATOM    497  CB  LYS A  32      20.824   3.703   1.791  1.00  0.00           C  
ATOM    498  CG  LYS A  32      20.834   5.202   2.037  1.00  0.00           C  
ATOM    499  CD  LYS A  32      20.595   5.527   3.503  1.00  0.00           C  
ATOM    500  CE  LYS A  32      21.514   6.637   3.984  1.00  0.00           C  
ATOM    501  NZ  LYS A  32      21.140   7.958   3.406  1.00  0.00           N  
ATOM    502  H   LYS A  32      19.481   2.475  -0.009  1.00  0.00           H  
ATOM    503  HA  LYS A  32      21.791   4.178  -0.058  1.00  0.00           H  
ATOM    504  HB2 LYS A  32      19.805   3.353   1.869  1.00  0.00           H  
ATOM    505  HB3 LYS A  32      21.417   3.230   2.559  1.00  0.00           H  
ATOM    506  HG2 LYS A  32      21.794   5.599   1.743  1.00  0.00           H  
ATOM    507  HG3 LYS A  32      20.056   5.660   1.444  1.00  0.00           H  
ATOM    508  HD2 LYS A  32      19.570   5.842   3.629  1.00  0.00           H  
ATOM    509  HD3 LYS A  32      20.777   4.640   4.092  1.00  0.00           H  
ATOM    510  HE2 LYS A  32      21.454   6.696   5.061  1.00  0.00           H  
ATOM    511  HE3 LYS A  32      22.527   6.400   3.693  1.00  0.00           H  
ATOM    512  HZ1 LYS A  32      21.287   7.952   2.377  1.00  0.00           H  
ATOM    513  HZ2 LYS A  32      21.724   8.710   3.824  1.00  0.00           H  
ATOM    514  HZ3 LYS A  32      20.139   8.163   3.602  1.00  0.00           H  
ATOM    515  N   GLN A  33      22.103   0.996   0.598  1.00  0.00           N  
ATOM    516  CA  GLN A  33      23.062  -0.091   0.753  1.00  0.00           C  
ATOM    517  C   GLN A  33      23.979  -0.185  -0.462  1.00  0.00           C  
ATOM    518  O   GLN A  33      25.136  -0.591  -0.349  1.00  0.00           O  
ATOM    519  CB  GLN A  33      22.332  -1.420   0.958  1.00  0.00           C  
ATOM    520  CG  GLN A  33      22.865  -2.230   2.128  1.00  0.00           C  
ATOM    521  CD  GLN A  33      22.417  -3.678   2.088  1.00  0.00           C  
ATOM    522  OE1 GLN A  33      22.835  -4.446   1.222  1.00  0.00           O  
ATOM    523  NE2 GLN A  33      21.560  -4.058   3.029  1.00  0.00           N  
ATOM    524  H   GLN A  33      21.152   0.783   0.494  1.00  0.00           H  
ATOM    525  HA  GLN A  33      23.662   0.118   1.626  1.00  0.00           H  
ATOM    526  HB2 GLN A  33      21.286  -1.220   1.133  1.00  0.00           H  
ATOM    527  HB3 GLN A  33      22.431  -2.015   0.062  1.00  0.00           H  
ATOM    528  HG2 GLN A  33      23.944  -2.204   2.106  1.00  0.00           H  
ATOM    529  HG3 GLN A  33      22.514  -1.785   3.048  1.00  0.00           H  
ATOM    530 HE21 GLN A  33      21.269  -3.392   3.686  1.00  0.00           H  
ATOM    531 HE22 GLN A  33      21.253  -4.988   3.027  1.00  0.00           H  
ATOM    532  N   MET A  34      23.455   0.195  -1.623  1.00  0.00           N  
ATOM    533  CA  MET A  34      24.226   0.154  -2.860  1.00  0.00           C  
ATOM    534  C   MET A  34      25.331   1.204  -2.847  1.00  0.00           C  
ATOM    535  O   MET A  34      26.431   0.969  -3.349  1.00  0.00           O  
ATOM    536  CB  MET A  34      23.309   0.377  -4.064  1.00  0.00           C  
ATOM    537  CG  MET A  34      23.172  -0.845  -4.958  1.00  0.00           C  
ATOM    538  SD  MET A  34      24.021  -0.648  -6.537  1.00  0.00           S  
ATOM    539  CE  MET A  34      24.469  -2.345  -6.893  1.00  0.00           C  
ATOM    540  H   MET A  34      22.527   0.509  -1.648  1.00  0.00           H  
ATOM    541  HA  MET A  34      24.676  -0.824  -2.938  1.00  0.00           H  
ATOM    542  HB2 MET A  34      22.326   0.648  -3.708  1.00  0.00           H  
ATOM    543  HB3 MET A  34      23.704   1.188  -4.658  1.00  0.00           H  
ATOM    544  HG2 MET A  34      23.591  -1.698  -4.445  1.00  0.00           H  
ATOM    545  HG3 MET A  34      22.123  -1.020  -5.147  1.00  0.00           H  
ATOM    546  HE1 MET A  34      24.246  -2.964  -6.036  1.00  0.00           H  
ATOM    547  HE2 MET A  34      23.906  -2.695  -7.746  1.00  0.00           H  
ATOM    548  HE3 MET A  34      25.525  -2.400  -7.112  1.00  0.00           H  
ATOM    549  N   GLU A  35      25.031   2.363  -2.268  1.00  0.00           N  
ATOM    550  CA  GLU A  35      25.998   3.453  -2.188  1.00  0.00           C  
ATOM    551  C   GLU A  35      27.224   3.034  -1.383  1.00  0.00           C  
ATOM    552  O   GLU A  35      28.359   3.290  -1.783  1.00  0.00           O  
ATOM    553  CB  GLU A  35      25.354   4.687  -1.554  1.00  0.00           C  
ATOM    554  CG  GLU A  35      24.740   5.641  -2.566  1.00  0.00           C  
ATOM    555  CD  GLU A  35      25.599   6.867  -2.808  1.00  0.00           C  
ATOM    556  OE1 GLU A  35      26.805   6.701  -3.085  1.00  0.00           O  
ATOM    557  OE2 GLU A  35      25.065   7.993  -2.721  1.00  0.00           O  
ATOM    558  H   GLU A  35      24.137   2.489  -1.886  1.00  0.00           H  
ATOM    559  HA  GLU A  35      26.307   3.695  -3.193  1.00  0.00           H  
ATOM    560  HB2 GLU A  35      24.576   4.366  -0.876  1.00  0.00           H  
ATOM    561  HB3 GLU A  35      26.106   5.224  -0.995  1.00  0.00           H  
ATOM    562  HG2 GLU A  35      24.613   5.119  -3.502  1.00  0.00           H  
ATOM    563  HG3 GLU A  35      23.775   5.962  -2.200  1.00  0.00           H  
HETATM  564  N   NH2 A  36      26.994   2.386  -0.246  1.00  0.00           N  
HETATM  565  HN1 NH2 A  36      26.064   2.217   0.010  1.00  0.00           H  
HETATM  566  HN2 NH2 A  36      27.765   2.104   0.289  1.00  0.00           H  
TER     567      NH2 A  36                                                      
CONECT  551  564                                                                
CONECT  564  551  565  566                                                      
CONECT  565  564                                                                
CONECT  566  564                                                                
MASTER       92    0    1    2    0    0    1    6  268    1    4    3          
END