HEADER    TOXIN                                   02-MAR-01   1I6F              
TITLE     NMR SOLUTION STRUCTURE OF THE INSECT-SPECIFIC NEUROTOXIN VARIANT 5    
TITLE    2 (CSE-V5) FROM THE SCORPION CENTRUROIDES SCULPTURATUS EWING           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NEUROTOXIN V-5;                                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: CSE-V5                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CENTRUROIDES SCULPTURATUS;                      
SOURCE   3 ORGANISM_COMMON: BARK SCORPION;                                      
SOURCE   4 ORGANISM_TAXID: 218467;                                              
SOURCE   5 VARIANT: 5                                                           
KEYWDS    SCORPION, NEUROTOXIN, SODIUM CHANNEL, ALPHA HELIX, BETA SHEET,        
KEYWDS   2 DISULFIDE LINKAGES, TOXIN                                            
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    M.J.JABLONSKY,P.L.JACKSON,N.R.KRISHNA                                 
REVDAT   3   23-FEB-22 1I6F    1       REMARK                                   
REVDAT   2   24-FEB-09 1I6F    1       VERSN                                    
REVDAT   1   01-AUG-01 1I6F    0                                                
JRNL        AUTH   M.J.JABLONSKY,P.L.JACKSON,N.R.KRISHNA                        
JRNL        TITL   SOLUTION STRUCTURE OF AN INSECT-SPECIFIC NEUROTOXIN FROM THE 
JRNL        TITL 2 NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING.          
JRNL        REF    BIOCHEMISTRY                  V.  40  8273 2001              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   11444973                                                     
JRNL        DOI    10.1021/BI010223H                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DISNMR DISR88, X-PLOR 3.851                          
REMARK   3   AUTHORS     : BRUKER (DISNMR), BRUNGER (X-PLOR)                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 1010          
REMARK   3  TOTAL RESTRAINTS: 849 DISTANCE,                                     
REMARK   3  70 H-BONDS, 91 DIHEDRAL ANGLE                                       
REMARK   4                                                                      
REMARK   4 1I6F COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAR-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000012962.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1MM CSE-V5, PH 4.0; 1MM CSE-V5,    
REMARK 210                                   PH 4.0                             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; TOCSY; DQF-COSY          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AM                                 
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : FELIX 9.80                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD HOMONUCLEAR     
REMARK 210  2D-NMR TECHNIQUES.                                                  
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   H3   LYS A     1     O    LEU A    45              1.59            
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    MET A  38       14.49     59.29                                   
REMARK 500    ASP A  53       30.51    -92.04                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1NRB   RELATED DB: PDB                                   
REMARK 900 NEUROTOXIN CSE-V                                                     
REMARK 900 RELATED ID: 1B3C   RELATED DB: PDB                                   
REMARK 900 NEUROTOXIN CSE-I                                                     
REMARK 900 RELATED ID: 1I6G   RELATED DB: PDB                                   
REMARK 900 NEUROTOXIN CSE-V5, 20 CONFORMERS                                     
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE AUTHORS HAVE FOUND THAT THE PREVIOUSLY PUBLISHED                 
REMARK 999 SEQUENCE (PIR C23727) WAS INCORRECT.  THEY HAVE                      
REMARK 999 DEMONSTRATED THE EXISTENCE OF AN ADDITIONAL GLY, 60,                 
REMARK 999 FROM SEQUENCING, NMR, AND MASS SPEC. (DATA INCLUDED                  
REMARK 999 IN THE PRIMARY CITATION ARTICLE).                                    
DBREF  1I6F A    1    59  UNP    P58779   SCX5_CENSC       1     59             
SEQADV 1I6F GLY A   60  UNP  P58779              SEE REMARK 999                 
SEQRES   1 A   60  LYS ASP GLY TYR PRO VAL ASP SER LYS GLY CYS LYS LEU          
SEQRES   2 A   60  SER CYS VAL ALA ASN ASN TYR CYS ASP ASN GLN CYS LYS          
SEQRES   3 A   60  MET LYS LYS ALA SER GLY GLY HIS CYS TYR ALA MET SER          
SEQRES   4 A   60  CYS TYR CYS GLU GLY LEU PRO GLU ASN ALA LYS VAL SER          
SEQRES   5 A   60  ASP SER ALA THR ASN ILE CYS GLY                              
HELIX    1   1 ALA A   17  LYS A   28  1                                  12    
SHEET    1   A 4 HIS A  34  TYR A  36  0                                        
SHEET    2   A 4 SER A  39  GLU A  43 -1  N  SER A  39   O  TYR A  36           
SHEET    3   A 4 ASP A   2  PRO A   5 -1  O  GLY A   3   N  CYS A  42           
SHEET    4   A 4 VAL A  51  SER A  52 -1  N  SER A  52   O  TYR A   4           
SSBOND   1 CYS A   11    CYS A   59                          1555   1555  2.02  
SSBOND   2 CYS A   15    CYS A   35                          1555   1555  2.02  
SSBOND   3 CYS A   21    CYS A   40                          1555   1555  2.02  
SSBOND   4 CYS A   25    CYS A   42                          1555   1555  2.02  
CRYST1                                                               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   LYS A   1      -3.641  10.573  -4.010  1.00  0.57           N  
ATOM      2  CA  LYS A   1      -2.643   9.869  -4.866  1.00  0.45           C  
ATOM      3  C   LYS A   1      -2.700   8.360  -4.613  1.00  0.38           C  
ATOM      4  O   LYS A   1      -3.157   7.911  -3.581  1.00  0.44           O  
ATOM      5  CB  LYS A   1      -1.287  10.434  -4.441  1.00  0.41           C  
ATOM      6  CG  LYS A   1      -0.933   9.915  -3.046  1.00  0.49           C  
ATOM      7  CD  LYS A   1       0.507  10.304  -2.707  1.00  0.53           C  
ATOM      8  CE  LYS A   1       1.029   9.403  -1.584  1.00  0.61           C  
ATOM      9  NZ  LYS A   1       1.947  10.269  -0.793  1.00  0.55           N  
ATOM     10  H1  LYS A   1      -4.577  10.527  -4.459  1.00  1.10           H  
ATOM     11  H2  LYS A   1      -3.358  11.568  -3.897  1.00  1.13           H  
ATOM     12  H3  LYS A   1      -3.683  10.115  -3.078  1.00  1.17           H  
ATOM     13  HA  LYS A   1      -2.821  10.083  -5.908  1.00  0.51           H  
ATOM     14  HB2 LYS A   1      -0.530  10.121  -5.145  1.00  0.39           H  
ATOM     15  HB3 LYS A   1      -1.337  11.512  -4.420  1.00  0.51           H  
ATOM     16  HG2 LYS A   1      -1.605  10.350  -2.319  1.00  0.77           H  
ATOM     17  HG3 LYS A   1      -1.028   8.840  -3.026  1.00  0.68           H  
ATOM     18  HD2 LYS A   1       1.128  10.184  -3.583  1.00  0.72           H  
ATOM     19  HD3 LYS A   1       0.536  11.333  -2.382  1.00  0.69           H  
ATOM     20  HE2 LYS A   1       0.209   9.059  -0.969  1.00  0.76           H  
ATOM     21  HE3 LYS A   1       1.572   8.566  -1.994  1.00  0.79           H  
ATOM     22  HZ1 LYS A   1       2.830  10.412  -1.322  1.00  0.73           H  
ATOM     23  HZ2 LYS A   1       2.157   9.810   0.117  1.00  0.60           H  
ATOM     24  HZ3 LYS A   1       1.495  11.189  -0.622  1.00  0.62           H  
ATOM     25  N   ASP A   2      -2.238   7.574  -5.547  1.00  0.36           N  
ATOM     26  CA  ASP A   2      -2.267   6.095  -5.358  1.00  0.34           C  
ATOM     27  C   ASP A   2      -0.860   5.574  -5.049  1.00  0.34           C  
ATOM     28  O   ASP A   2       0.129   6.193  -5.387  1.00  0.47           O  
ATOM     29  CB  ASP A   2      -2.766   5.535  -6.691  1.00  0.41           C  
ATOM     30  CG  ASP A   2      -3.996   6.321  -7.146  1.00  0.44           C  
ATOM     31  OD1 ASP A   2      -4.604   6.969  -6.310  1.00  1.28           O  
ATOM     32  OD2 ASP A   2      -4.310   6.262  -8.324  1.00  1.05           O  
ATOM     33  H   ASP A   2      -1.873   7.956  -6.372  1.00  0.43           H  
ATOM     34  HA  ASP A   2      -2.950   5.829  -4.567  1.00  0.34           H  
ATOM     35  HB2 ASP A   2      -1.985   5.624  -7.433  1.00  0.45           H  
ATOM     36  HB3 ASP A   2      -3.030   4.496  -6.568  1.00  0.44           H  
ATOM     37  N   GLY A   3      -0.765   4.440  -4.410  1.00  0.27           N  
ATOM     38  CA  GLY A   3       0.577   3.881  -4.081  1.00  0.32           C  
ATOM     39  C   GLY A   3       0.424   2.750  -3.063  1.00  0.30           C  
ATOM     40  O   GLY A   3      -0.671   2.327  -2.751  1.00  0.30           O  
ATOM     41  H   GLY A   3      -1.575   3.956  -4.147  1.00  0.29           H  
ATOM     42  HA2 GLY A   3       1.038   3.498  -4.981  1.00  0.37           H  
ATOM     43  HA3 GLY A   3       1.198   4.658  -3.661  1.00  0.36           H  
ATOM     44  N   TYR A   4       1.514   2.257  -2.541  1.00  0.32           N  
ATOM     45  CA  TYR A   4       1.429   1.153  -1.542  1.00  0.32           C  
ATOM     46  C   TYR A   4       1.784   1.674  -0.146  1.00  0.34           C  
ATOM     47  O   TYR A   4       2.752   2.389   0.022  1.00  0.38           O  
ATOM     48  CB  TYR A   4       2.457   0.120  -2.006  1.00  0.37           C  
ATOM     49  CG  TYR A   4       2.215  -0.215  -3.458  1.00  0.33           C  
ATOM     50  CD1 TYR A   4       2.632   0.671  -4.460  1.00  0.43           C  
ATOM     51  CD2 TYR A   4       1.574  -1.410  -3.804  1.00  0.33           C  
ATOM     52  CE1 TYR A   4       2.408   0.360  -5.806  1.00  0.46           C  
ATOM     53  CE2 TYR A   4       1.349  -1.721  -5.150  1.00  0.37           C  
ATOM     54  CZ  TYR A   4       1.767  -0.836  -6.151  1.00  0.41           C  
ATOM     55  OH  TYR A   4       1.546  -1.142  -7.479  1.00  0.50           O  
ATOM     56  H   TYR A   4       2.388   2.613  -2.805  1.00  0.35           H  
ATOM     57  HA  TYR A   4       0.443   0.718  -1.544  1.00  0.32           H  
ATOM     58  HB2 TYR A   4       3.451   0.525  -1.890  1.00  0.44           H  
ATOM     59  HB3 TYR A   4       2.361  -0.775  -1.410  1.00  0.41           H  
ATOM     60  HD1 TYR A   4       3.127   1.593  -4.193  1.00  0.53           H  
ATOM     61  HD2 TYR A   4       1.252  -2.093  -3.031  1.00  0.39           H  
ATOM     62  HE1 TYR A   4       2.729   1.043  -6.579  1.00  0.58           H  
ATOM     63  HE2 TYR A   4       0.855  -2.643  -5.417  1.00  0.44           H  
ATOM     64  HH  TYR A   4       1.570  -2.097  -7.571  1.00  1.04           H  
ATOM     65  N   PRO A   5       0.982   1.296   0.812  1.00  0.35           N  
ATOM     66  CA  PRO A   5       1.210   1.728   2.212  1.00  0.38           C  
ATOM     67  C   PRO A   5       2.408   0.987   2.812  1.00  0.37           C  
ATOM     68  O   PRO A   5       2.624  -0.179   2.548  1.00  0.40           O  
ATOM     69  CB  PRO A   5      -0.083   1.337   2.923  1.00  0.44           C  
ATOM     70  CG  PRO A   5      -0.653   0.222   2.105  1.00  0.46           C  
ATOM     71  CD  PRO A   5      -0.201   0.438   0.683  1.00  0.41           C  
ATOM     72  HA  PRO A   5       1.354   2.795   2.265  1.00  0.40           H  
ATOM     73  HB2 PRO A   5       0.130   0.999   3.928  1.00  0.46           H  
ATOM     74  HB3 PRO A   5      -0.769   2.169   2.941  1.00  0.48           H  
ATOM     75  HG2 PRO A   5      -0.287  -0.727   2.471  1.00  0.47           H  
ATOM     76  HG3 PRO A   5      -1.731   0.245   2.150  1.00  0.53           H  
ATOM     77  HD2 PRO A   5       0.059  -0.505   0.222  1.00  0.41           H  
ATOM     78  HD3 PRO A   5      -0.966   0.943   0.114  1.00  0.46           H  
ATOM     79  N   VAL A   6       3.188   1.655   3.618  1.00  0.38           N  
ATOM     80  CA  VAL A   6       4.371   0.987   4.233  1.00  0.42           C  
ATOM     81  C   VAL A   6       4.227   0.956   5.757  1.00  0.46           C  
ATOM     82  O   VAL A   6       3.389   1.628   6.325  1.00  0.49           O  
ATOM     83  CB  VAL A   6       5.567   1.847   3.826  1.00  0.48           C  
ATOM     84  CG1 VAL A   6       5.864   1.638   2.339  1.00  0.53           C  
ATOM     85  CG2 VAL A   6       5.244   3.321   4.077  1.00  0.54           C  
ATOM     86  H   VAL A   6       2.997   2.595   3.818  1.00  0.39           H  
ATOM     87  HA  VAL A   6       4.485  -0.012   3.844  1.00  0.46           H  
ATOM     88  HB  VAL A   6       6.431   1.561   4.408  1.00  0.55           H  
ATOM     89 HG11 VAL A   6       6.700   0.963   2.231  1.00  1.10           H  
ATOM     90 HG12 VAL A   6       6.105   2.587   1.884  1.00  1.22           H  
ATOM     91 HG13 VAL A   6       4.996   1.216   1.855  1.00  1.15           H  
ATOM     92 HG21 VAL A   6       4.410   3.395   4.760  1.00  1.24           H  
ATOM     93 HG22 VAL A   6       4.988   3.798   3.143  1.00  1.11           H  
ATOM     94 HG23 VAL A   6       6.106   3.810   4.507  1.00  1.11           H  
ATOM     95  N   ASP A   7       5.037   0.180   6.424  1.00  0.52           N  
ATOM     96  CA  ASP A   7       4.945   0.106   7.910  1.00  0.61           C  
ATOM     97  C   ASP A   7       5.852   1.162   8.549  1.00  0.65           C  
ATOM     98  O   ASP A   7       6.419   1.998   7.873  1.00  0.64           O  
ATOM     99  CB  ASP A   7       5.426  -1.301   8.268  1.00  0.63           C  
ATOM    100  CG  ASP A   7       6.808  -1.539   7.657  1.00  0.61           C  
ATOM    101  OD1 ASP A   7       7.427  -0.571   7.245  1.00  0.56           O  
ATOM    102  OD2 ASP A   7       7.225  -2.684   7.612  1.00  0.87           O  
ATOM    103  H   ASP A   7       5.706  -0.355   5.947  1.00  0.53           H  
ATOM    104  HA  ASP A   7       3.925   0.240   8.232  1.00  0.68           H  
ATOM    105  HB2 ASP A   7       5.484  -1.399   9.342  1.00  0.72           H  
ATOM    106  HB3 ASP A   7       4.732  -2.029   7.876  1.00  0.69           H  
ATOM    107  N   SER A   8       5.992   1.130   9.846  1.00  0.78           N  
ATOM    108  CA  SER A   8       6.862   2.133  10.526  1.00  0.87           C  
ATOM    109  C   SER A   8       8.291   2.050   9.981  1.00  0.83           C  
ATOM    110  O   SER A   8       9.094   2.939  10.182  1.00  0.93           O  
ATOM    111  CB  SER A   8       6.829   1.747  12.004  1.00  1.01           C  
ATOM    112  OG  SER A   8       7.293   0.411  12.151  1.00  1.10           O  
ATOM    113  H   SER A   8       5.526   0.448  10.373  1.00  0.86           H  
ATOM    114  HA  SER A   8       6.465   3.127  10.396  1.00  0.93           H  
ATOM    115  HB2 SER A   8       7.468   2.408  12.566  1.00  1.12           H  
ATOM    116  HB3 SER A   8       5.815   1.829  12.374  1.00  1.13           H  
ATOM    117  HG  SER A   8       7.345   0.217  13.090  1.00  1.65           H  
ATOM    118  N   LYS A   9       8.612   0.989   9.293  1.00  0.73           N  
ATOM    119  CA  LYS A   9       9.989   0.851   8.736  1.00  0.75           C  
ATOM    120  C   LYS A   9      10.037   1.392   7.305  1.00  0.70           C  
ATOM    121  O   LYS A   9      11.086   1.734   6.796  1.00  0.83           O  
ATOM    122  CB  LYS A   9      10.273  -0.652   8.752  1.00  0.74           C  
ATOM    123  CG  LYS A   9      11.766  -0.892   8.519  1.00  0.87           C  
ATOM    124  CD  LYS A   9      12.303  -1.847   9.587  1.00  1.35           C  
ATOM    125  CE  LYS A   9      13.563  -2.541   9.065  1.00  1.96           C  
ATOM    126  NZ  LYS A   9      13.684  -3.781   9.881  1.00  2.57           N  
ATOM    127  H   LYS A   9       7.950   0.283   9.142  1.00  0.70           H  
ATOM    128  HA  LYS A   9      10.701   1.367   9.360  1.00  0.87           H  
ATOM    129  HB2 LYS A   9       9.987  -1.062   9.710  1.00  0.78           H  
ATOM    130  HB3 LYS A   9       9.707  -1.134   7.969  1.00  0.75           H  
ATOM    131  HG2 LYS A   9      11.912  -1.325   7.540  1.00  1.25           H  
ATOM    132  HG3 LYS A   9      12.296   0.047   8.580  1.00  1.22           H  
ATOM    133  HD2 LYS A   9      12.543  -1.289  10.481  1.00  1.95           H  
ATOM    134  HD3 LYS A   9      11.554  -2.589   9.816  1.00  1.83           H  
ATOM    135  HE2 LYS A   9      13.448  -2.787   8.017  1.00  2.32           H  
ATOM    136  HE3 LYS A   9      14.428  -1.914   9.213  1.00  2.44           H  
ATOM    137  HZ1 LYS A   9      14.317  -4.452   9.402  1.00  2.99           H  
ATOM    138  HZ2 LYS A   9      12.744  -4.213   9.997  1.00  2.80           H  
ATOM    139  HZ3 LYS A   9      14.075  -3.545  10.815  1.00  2.96           H  
ATOM    140  N   GLY A  10       8.910   1.473   6.653  1.00  0.59           N  
ATOM    141  CA  GLY A  10       8.893   1.992   5.256  1.00  0.60           C  
ATOM    142  C   GLY A  10       8.834   0.819   4.275  1.00  0.49           C  
ATOM    143  O   GLY A  10       9.199   0.942   3.123  1.00  0.58           O  
ATOM    144  H   GLY A  10       8.075   1.192   7.082  1.00  0.57           H  
ATOM    145  HA2 GLY A  10       8.026   2.623   5.118  1.00  0.63           H  
ATOM    146  HA3 GLY A  10       9.789   2.564   5.073  1.00  0.70           H  
ATOM    147  N   CYS A  11       8.377  -0.318   4.723  1.00  0.42           N  
ATOM    148  CA  CYS A  11       8.295  -1.498   3.814  1.00  0.39           C  
ATOM    149  C   CYS A  11       6.856  -1.693   3.329  1.00  0.37           C  
ATOM    150  O   CYS A  11       5.912  -1.557   4.082  1.00  0.40           O  
ATOM    151  CB  CYS A  11       8.738  -2.686   4.668  1.00  0.44           C  
ATOM    152  SG  CYS A  11      10.318  -2.301   5.464  1.00  0.62           S  
ATOM    153  H   CYS A  11       8.087  -0.397   5.656  1.00  0.50           H  
ATOM    154  HA  CYS A  11       8.963  -1.376   2.977  1.00  0.45           H  
ATOM    155  HB2 CYS A  11       7.993  -2.885   5.424  1.00  0.50           H  
ATOM    156  HB3 CYS A  11       8.855  -3.557   4.040  1.00  0.53           H  
ATOM    157  N   LYS A  12       6.680  -2.011   2.075  1.00  0.42           N  
ATOM    158  CA  LYS A  12       5.302  -2.214   1.543  1.00  0.45           C  
ATOM    159  C   LYS A  12       4.541  -3.217   2.415  1.00  0.42           C  
ATOM    160  O   LYS A  12       5.096  -4.189   2.888  1.00  0.48           O  
ATOM    161  CB  LYS A  12       5.500  -2.772   0.133  1.00  0.51           C  
ATOM    162  CG  LYS A  12       6.289  -1.766  -0.707  1.00  0.61           C  
ATOM    163  CD  LYS A  12       5.853  -1.869  -2.170  1.00  0.76           C  
ATOM    164  CE  LYS A  12       6.126  -3.283  -2.687  1.00  1.03           C  
ATOM    165  NZ  LYS A  12       6.228  -3.138  -4.166  1.00  1.29           N  
ATOM    166  H   LYS A  12       7.455  -2.116   1.484  1.00  0.50           H  
ATOM    167  HA  LYS A  12       4.773  -1.276   1.498  1.00  0.50           H  
ATOM    168  HB2 LYS A  12       6.045  -3.703   0.188  1.00  0.57           H  
ATOM    169  HB3 LYS A  12       4.538  -2.944  -0.325  1.00  0.60           H  
ATOM    170  HG2 LYS A  12       6.100  -0.766  -0.344  1.00  0.87           H  
ATOM    171  HG3 LYS A  12       7.344  -1.983  -0.633  1.00  1.09           H  
ATOM    172  HD2 LYS A  12       4.796  -1.654  -2.246  1.00  1.56           H  
ATOM    173  HD3 LYS A  12       6.408  -1.158  -2.763  1.00  1.43           H  
ATOM    174  HE2 LYS A  12       7.054  -3.658  -2.278  1.00  1.76           H  
ATOM    175  HE3 LYS A  12       5.309  -3.941  -2.435  1.00  1.71           H  
ATOM    176  HZ1 LYS A  12       6.577  -2.187  -4.398  1.00  1.77           H  
ATOM    177  HZ2 LYS A  12       5.289  -3.279  -4.593  1.00  1.84           H  
ATOM    178  HZ3 LYS A  12       6.889  -3.848  -4.539  1.00  1.65           H  
ATOM    179  N   LEU A  13       3.275  -2.987   2.632  1.00  0.42           N  
ATOM    180  CA  LEU A  13       2.480  -3.928   3.473  1.00  0.43           C  
ATOM    181  C   LEU A  13       2.022  -5.127   2.639  1.00  0.41           C  
ATOM    182  O   LEU A  13       1.188  -5.004   1.764  1.00  0.50           O  
ATOM    183  CB  LEU A  13       1.276  -3.113   3.948  1.00  0.50           C  
ATOM    184  CG  LEU A  13       0.456  -3.942   4.937  1.00  0.65           C  
ATOM    185  CD1 LEU A  13       1.252  -4.128   6.230  1.00  0.96           C  
ATOM    186  CD2 LEU A  13      -0.854  -3.215   5.247  1.00  0.71           C  
ATOM    187  H   LEU A  13       2.846  -2.197   2.241  1.00  0.46           H  
ATOM    188  HA  LEU A  13       3.060  -4.257   4.321  1.00  0.47           H  
ATOM    189  HB2 LEU A  13       1.621  -2.210   4.431  1.00  0.63           H  
ATOM    190  HB3 LEU A  13       0.659  -2.855   3.100  1.00  0.57           H  
ATOM    191  HG  LEU A  13       0.241  -4.909   4.505  1.00  0.77           H  
ATOM    192 HD11 LEU A  13       1.630  -3.172   6.561  1.00  1.44           H  
ATOM    193 HD12 LEU A  13       2.079  -4.800   6.050  1.00  1.38           H  
ATOM    194 HD13 LEU A  13       0.610  -4.545   6.992  1.00  1.52           H  
ATOM    195 HD21 LEU A  13      -0.644  -2.185   5.494  1.00  1.30           H  
ATOM    196 HD22 LEU A  13      -1.342  -3.693   6.083  1.00  1.20           H  
ATOM    197 HD23 LEU A  13      -1.500  -3.253   4.383  1.00  1.21           H  
ATOM    198  N   SER A  14       2.561  -6.286   2.903  1.00  0.46           N  
ATOM    199  CA  SER A  14       2.156  -7.491   2.124  1.00  0.47           C  
ATOM    200  C   SER A  14       0.649  -7.725   2.258  1.00  0.46           C  
ATOM    201  O   SER A  14       0.078  -7.565   3.319  1.00  0.59           O  
ATOM    202  CB  SER A  14       2.936  -8.647   2.750  1.00  0.60           C  
ATOM    203  OG  SER A  14       4.314  -8.306   2.808  1.00  0.79           O  
ATOM    204  H   SER A  14       3.233  -6.364   3.613  1.00  0.59           H  
ATOM    205  HA  SER A  14       2.430  -7.380   1.087  1.00  0.46           H  
ATOM    206  HB2 SER A  14       2.574  -8.829   3.748  1.00  0.65           H  
ATOM    207  HB3 SER A  14       2.799  -9.538   2.151  1.00  0.76           H  
ATOM    208  HG  SER A  14       4.824  -9.109   2.673  1.00  1.17           H  
ATOM    209  N   CYS A  15       0.000  -8.102   1.191  1.00  0.47           N  
ATOM    210  CA  CYS A  15      -1.470  -8.345   1.258  1.00  0.54           C  
ATOM    211  C   CYS A  15      -1.796  -9.756   0.763  1.00  0.46           C  
ATOM    212  O   CYS A  15      -1.196 -10.251  -0.171  1.00  0.50           O  
ATOM    213  CB  CYS A  15      -2.087  -7.296   0.334  1.00  0.63           C  
ATOM    214  SG  CYS A  15      -1.542  -7.593  -1.366  1.00  0.62           S  
ATOM    215  H   CYS A  15       0.479  -8.225   0.345  1.00  0.55           H  
ATOM    216  HA  CYS A  15      -1.829  -8.206   2.266  1.00  0.69           H  
ATOM    217  HB2 CYS A  15      -3.164  -7.361   0.384  1.00  0.68           H  
ATOM    218  HB3 CYS A  15      -1.772  -6.311   0.646  1.00  0.80           H  
ATOM    219  N   VAL A  16      -2.743 -10.408   1.380  1.00  0.49           N  
ATOM    220  CA  VAL A  16      -3.107 -11.786   0.944  1.00  0.57           C  
ATOM    221  C   VAL A  16      -4.563 -11.823   0.469  1.00  0.51           C  
ATOM    222  O   VAL A  16      -5.000 -12.773  -0.150  1.00  0.69           O  
ATOM    223  CB  VAL A  16      -2.926 -12.656   2.187  1.00  0.76           C  
ATOM    224  CG1 VAL A  16      -4.005 -12.309   3.215  1.00  0.78           C  
ATOM    225  CG2 VAL A  16      -3.049 -14.131   1.799  1.00  0.94           C  
ATOM    226  H   VAL A  16      -3.215  -9.991   2.131  1.00  0.55           H  
ATOM    227  HA  VAL A  16      -2.446 -12.121   0.160  1.00  0.62           H  
ATOM    228  HB  VAL A  16      -1.951 -12.474   2.615  1.00  0.88           H  
ATOM    229 HG11 VAL A  16      -3.625 -12.488   4.210  1.00  1.29           H  
ATOM    230 HG12 VAL A  16      -4.875 -12.927   3.046  1.00  1.24           H  
ATOM    231 HG13 VAL A  16      -4.276 -11.269   3.115  1.00  1.31           H  
ATOM    232 HG21 VAL A  16      -3.907 -14.563   2.293  1.00  1.46           H  
ATOM    233 HG22 VAL A  16      -2.157 -14.659   2.101  1.00  1.46           H  
ATOM    234 HG23 VAL A  16      -3.171 -14.213   0.729  1.00  1.30           H  
ATOM    235  N   ALA A  17      -5.315 -10.796   0.755  1.00  0.46           N  
ATOM    236  CA  ALA A  17      -6.742 -10.773   0.320  1.00  0.46           C  
ATOM    237  C   ALA A  17      -7.156  -9.348  -0.058  1.00  0.42           C  
ATOM    238  O   ALA A  17      -6.606  -8.381   0.431  1.00  0.59           O  
ATOM    239  CB  ALA A  17      -7.534 -11.257   1.535  1.00  0.50           C  
ATOM    240  H   ALA A  17      -4.943 -10.040   1.256  1.00  0.57           H  
ATOM    241  HA  ALA A  17      -6.894 -11.444  -0.510  1.00  0.52           H  
ATOM    242  HB1 ALA A  17      -7.033 -12.106   1.977  1.00  1.21           H  
ATOM    243  HB2 ALA A  17      -8.527 -11.547   1.225  1.00  1.08           H  
ATOM    244  HB3 ALA A  17      -7.602 -10.461   2.261  1.00  1.09           H  
ATOM    245  N   ASN A  18      -8.121  -9.212  -0.926  1.00  0.36           N  
ATOM    246  CA  ASN A  18      -8.568  -7.849  -1.335  1.00  0.36           C  
ATOM    247  C   ASN A  18      -9.299  -7.163  -0.177  1.00  0.34           C  
ATOM    248  O   ASN A  18      -9.055  -6.012   0.128  1.00  0.44           O  
ATOM    249  CB  ASN A  18      -9.521  -8.081  -2.508  1.00  0.42           C  
ATOM    250  CG  ASN A  18      -8.714  -8.242  -3.797  1.00  0.49           C  
ATOM    251  OD1 ASN A  18      -7.629  -7.710  -3.919  1.00  0.57           O  
ATOM    252  ND2 ASN A  18      -9.201  -8.961  -4.772  1.00  0.75           N  
ATOM    253  H   ASN A  18      -8.551 -10.004  -1.309  1.00  0.46           H  
ATOM    254  HA  ASN A  18      -7.727  -7.256  -1.655  1.00  0.38           H  
ATOM    255  HB2 ASN A  18     -10.100  -8.976  -2.330  1.00  0.45           H  
ATOM    256  HB3 ASN A  18     -10.185  -7.235  -2.605  1.00  0.49           H  
ATOM    257 HD21 ASN A  18     -10.077  -9.390  -4.674  1.00  0.92           H  
ATOM    258 HD22 ASN A  18      -8.692  -9.070  -5.602  1.00  0.86           H  
ATOM    259  N   ASN A  19     -10.192  -7.860   0.470  1.00  0.32           N  
ATOM    260  CA  ASN A  19     -10.937  -7.247   1.607  1.00  0.36           C  
ATOM    261  C   ASN A  19      -9.959  -6.604   2.594  1.00  0.33           C  
ATOM    262  O   ASN A  19     -10.169  -5.503   3.064  1.00  0.40           O  
ATOM    263  CB  ASN A  19     -11.679  -8.409   2.268  1.00  0.42           C  
ATOM    264  CG  ASN A  19     -10.674  -9.482   2.692  1.00  0.54           C  
ATOM    265  OD1 ASN A  19      -9.572  -9.535   2.181  1.00  0.98           O  
ATOM    266  ND2 ASN A  19     -11.009 -10.346   3.611  1.00  1.06           N  
ATOM    267  H   ASN A  19     -10.373  -8.787   0.209  1.00  0.37           H  
ATOM    268  HA  ASN A  19     -11.643  -6.517   1.245  1.00  0.41           H  
ATOM    269  HB2 ASN A  19     -12.211  -8.049   3.136  1.00  0.49           H  
ATOM    270  HB3 ASN A  19     -12.380  -8.834   1.566  1.00  0.51           H  
ATOM    271 HD21 ASN A  19     -11.897 -10.303   4.022  1.00  1.58           H  
ATOM    272 HD22 ASN A  19     -10.372 -11.037   3.889  1.00  1.15           H  
ATOM    273  N   TYR A  20      -8.890  -7.282   2.913  1.00  0.30           N  
ATOM    274  CA  TYR A  20      -7.901  -6.709   3.870  1.00  0.33           C  
ATOM    275  C   TYR A  20      -7.468  -5.314   3.411  1.00  0.31           C  
ATOM    276  O   TYR A  20      -7.556  -4.352   4.148  1.00  0.38           O  
ATOM    277  CB  TYR A  20      -6.716  -7.675   3.840  1.00  0.40           C  
ATOM    278  CG  TYR A  20      -5.561  -7.080   4.609  1.00  0.42           C  
ATOM    279  CD1 TYR A  20      -5.806  -6.221   5.687  1.00  1.17           C  
ATOM    280  CD2 TYR A  20      -4.245  -7.386   4.243  1.00  1.30           C  
ATOM    281  CE1 TYR A  20      -4.735  -5.669   6.400  1.00  1.17           C  
ATOM    282  CE2 TYR A  20      -3.174  -6.834   4.956  1.00  1.36           C  
ATOM    283  CZ  TYR A  20      -3.419  -5.976   6.034  1.00  0.58           C  
ATOM    284  OH  TYR A  20      -2.363  -5.431   6.737  1.00  0.68           O  
ATOM    285  H   TYR A  20      -8.739  -8.169   2.523  1.00  0.33           H  
ATOM    286  HA  TYR A  20      -8.317  -6.668   4.863  1.00  0.37           H  
ATOM    287  HB2 TYR A  20      -7.005  -8.613   4.292  1.00  0.47           H  
ATOM    288  HB3 TYR A  20      -6.416  -7.846   2.817  1.00  0.43           H  
ATOM    289  HD1 TYR A  20      -6.822  -5.984   5.969  1.00  2.03           H  
ATOM    290  HD2 TYR A  20      -4.055  -8.049   3.412  1.00  2.14           H  
ATOM    291  HE1 TYR A  20      -4.924  -5.006   7.231  1.00  2.00           H  
ATOM    292  HE2 TYR A  20      -2.158  -7.071   4.675  1.00  2.22           H  
ATOM    293  HH  TYR A  20      -2.198  -5.988   7.502  1.00  1.24           H  
ATOM    294  N   CYS A  21      -7.000  -5.197   2.198  1.00  0.32           N  
ATOM    295  CA  CYS A  21      -6.562  -3.863   1.694  1.00  0.33           C  
ATOM    296  C   CYS A  21      -7.755  -2.907   1.622  1.00  0.31           C  
ATOM    297  O   CYS A  21      -7.654  -1.746   1.966  1.00  0.36           O  
ATOM    298  CB  CYS A  21      -6.005  -4.133   0.295  1.00  0.38           C  
ATOM    299  SG  CYS A  21      -4.283  -4.674   0.426  1.00  0.43           S  
ATOM    300  H   CYS A  21      -6.937  -5.985   1.619  1.00  0.37           H  
ATOM    301  HA  CYS A  21      -5.789  -3.456   2.326  1.00  0.37           H  
ATOM    302  HB2 CYS A  21      -6.590  -4.904  -0.182  1.00  0.42           H  
ATOM    303  HB3 CYS A  21      -6.055  -3.228  -0.292  1.00  0.40           H  
ATOM    304  N   ASP A  22      -8.885  -3.385   1.177  1.00  0.33           N  
ATOM    305  CA  ASP A  22     -10.083  -2.502   1.084  1.00  0.38           C  
ATOM    306  C   ASP A  22     -10.264  -1.716   2.386  1.00  0.37           C  
ATOM    307  O   ASP A  22     -10.320  -0.503   2.388  1.00  0.40           O  
ATOM    308  CB  ASP A  22     -11.260  -3.453   0.863  1.00  0.43           C  
ATOM    309  CG  ASP A  22     -12.506  -2.646   0.491  1.00  0.55           C  
ATOM    310  OD1 ASP A  22     -12.397  -1.788  -0.369  1.00  1.25           O  
ATOM    311  OD2 ASP A  22     -13.547  -2.901   1.073  1.00  1.16           O  
ATOM    312  H   ASP A  22      -8.946  -4.324   0.904  1.00  0.37           H  
ATOM    313  HA  ASP A  22      -9.991  -1.828   0.247  1.00  0.42           H  
ATOM    314  HB2 ASP A  22     -11.022  -4.139   0.063  1.00  0.52           H  
ATOM    315  HB3 ASP A  22     -11.450  -4.007   1.769  1.00  0.47           H  
ATOM    316  N   ASN A  23     -10.357  -2.400   3.494  1.00  0.44           N  
ATOM    317  CA  ASN A  23     -10.534  -1.692   4.794  1.00  0.51           C  
ATOM    318  C   ASN A  23      -9.322  -0.802   5.082  1.00  0.50           C  
ATOM    319  O   ASN A  23      -9.446   0.393   5.261  1.00  0.55           O  
ATOM    320  CB  ASN A  23     -10.644  -2.804   5.838  1.00  0.60           C  
ATOM    321  CG  ASN A  23     -11.190  -2.225   7.145  1.00  0.81           C  
ATOM    322  OD1 ASN A  23     -11.458  -1.044   7.235  1.00  1.26           O  
ATOM    323  ND2 ASN A  23     -11.369  -3.014   8.169  1.00  1.37           N  
ATOM    324  H   ASN A  23     -10.309  -3.379   3.471  1.00  0.50           H  
ATOM    325  HA  ASN A  23     -11.439  -1.106   4.784  1.00  0.55           H  
ATOM    326  HB2 ASN A  23     -11.311  -3.573   5.476  1.00  0.65           H  
ATOM    327  HB3 ASN A  23      -9.667  -3.228   6.016  1.00  0.67           H  
ATOM    328 HD21 ASN A  23     -11.153  -3.968   8.097  1.00  1.90           H  
ATOM    329 HD22 ASN A  23     -11.719  -2.654   9.010  1.00  1.54           H  
ATOM    330  N   GLN A  24      -8.151  -1.375   5.128  1.00  0.48           N  
ATOM    331  CA  GLN A  24      -6.932  -0.561   5.404  1.00  0.51           C  
ATOM    332  C   GLN A  24      -6.942   0.712   4.553  1.00  0.45           C  
ATOM    333  O   GLN A  24      -6.995   1.812   5.066  1.00  0.54           O  
ATOM    334  CB  GLN A  24      -5.759  -1.459   5.012  1.00  0.53           C  
ATOM    335  CG  GLN A  24      -4.455  -0.854   5.535  1.00  0.65           C  
ATOM    336  CD  GLN A  24      -4.365  -1.065   7.048  1.00  0.86           C  
ATOM    337  OE1 GLN A  24      -4.209  -2.178   7.509  1.00  1.52           O  
ATOM    338  NE2 GLN A  24      -4.456  -0.036   7.845  1.00  1.34           N  
ATOM    339  H   GLN A  24      -8.072  -2.341   4.980  1.00  0.50           H  
ATOM    340  HA  GLN A  24      -6.873  -0.315   6.452  1.00  0.59           H  
ATOM    341  HB2 GLN A  24      -5.898  -2.441   5.440  1.00  0.55           H  
ATOM    342  HB3 GLN A  24      -5.710  -1.539   3.936  1.00  0.55           H  
ATOM    343  HG2 GLN A  24      -3.616  -1.335   5.053  1.00  0.76           H  
ATOM    344  HG3 GLN A  24      -4.436   0.204   5.320  1.00  0.74           H  
ATOM    345 HE21 GLN A  24      -4.582   0.862   7.473  1.00  1.97           H  
ATOM    346 HE22 GLN A  24      -4.400  -0.161   8.815  1.00  1.47           H  
ATOM    347  N   CYS A  25      -6.891   0.571   3.257  1.00  0.34           N  
ATOM    348  CA  CYS A  25      -6.898   1.774   2.375  1.00  0.30           C  
ATOM    349  C   CYS A  25      -8.002   2.741   2.809  1.00  0.34           C  
ATOM    350  O   CYS A  25      -7.765   3.913   3.027  1.00  0.37           O  
ATOM    351  CB  CYS A  25      -7.176   1.235   0.972  1.00  0.26           C  
ATOM    352  SG  CYS A  25      -5.806   0.173   0.450  1.00  0.25           S  
ATOM    353  H   CYS A  25      -6.849  -0.325   2.863  1.00  0.32           H  
ATOM    354  HA  CYS A  25      -5.937   2.263   2.398  1.00  0.33           H  
ATOM    355  HB2 CYS A  25      -8.092   0.662   0.982  1.00  0.30           H  
ATOM    356  HB3 CYS A  25      -7.275   2.060   0.283  1.00  0.26           H  
ATOM    357  N   LYS A  26      -9.209   2.261   2.934  1.00  0.39           N  
ATOM    358  CA  LYS A  26     -10.328   3.154   3.353  1.00  0.49           C  
ATOM    359  C   LYS A  26      -9.903   4.008   4.550  1.00  0.54           C  
ATOM    360  O   LYS A  26     -10.035   5.216   4.542  1.00  0.61           O  
ATOM    361  CB  LYS A  26     -11.464   2.208   3.744  1.00  0.55           C  
ATOM    362  CG  LYS A  26     -12.680   3.026   4.186  1.00  0.79           C  
ATOM    363  CD  LYS A  26     -13.949   2.417   3.588  1.00  1.43           C  
ATOM    364  CE  LYS A  26     -14.942   3.532   3.252  1.00  2.15           C  
ATOM    365  NZ  LYS A  26     -16.044   2.855   2.513  1.00  2.88           N  
ATOM    366  H   LYS A  26      -9.380   1.313   2.753  1.00  0.40           H  
ATOM    367  HA  LYS A  26     -10.637   3.781   2.532  1.00  0.50           H  
ATOM    368  HB2 LYS A  26     -11.730   1.595   2.895  1.00  0.51           H  
ATOM    369  HB3 LYS A  26     -11.143   1.577   4.558  1.00  0.58           H  
ATOM    370  HG2 LYS A  26     -12.747   3.015   5.264  1.00  1.23           H  
ATOM    371  HG3 LYS A  26     -12.574   4.043   3.841  1.00  0.98           H  
ATOM    372  HD2 LYS A  26     -13.698   1.874   2.688  1.00  1.84           H  
ATOM    373  HD3 LYS A  26     -14.397   1.742   4.302  1.00  1.95           H  
ATOM    374  HE2 LYS A  26     -15.317   3.985   4.160  1.00  2.41           H  
ATOM    375  HE3 LYS A  26     -14.476   4.274   2.623  1.00  2.68           H  
ATOM    376  HZ1 LYS A  26     -15.645   2.135   1.878  1.00  3.42           H  
ATOM    377  HZ2 LYS A  26     -16.569   3.559   1.954  1.00  3.02           H  
ATOM    378  HZ3 LYS A  26     -16.687   2.399   3.190  1.00  3.29           H  
ATOM    379  N   MET A  27      -9.393   3.390   5.581  1.00  0.57           N  
ATOM    380  CA  MET A  27      -8.961   4.168   6.777  1.00  0.66           C  
ATOM    381  C   MET A  27      -7.928   5.225   6.376  1.00  0.63           C  
ATOM    382  O   MET A  27      -7.824   6.268   6.989  1.00  0.70           O  
ATOM    383  CB  MET A  27      -8.335   3.135   7.716  1.00  0.72           C  
ATOM    384  CG  MET A  27      -9.424   2.201   8.246  1.00  0.88           C  
ATOM    385  SD  MET A  27      -9.038   1.730   9.950  1.00  1.36           S  
ATOM    386  CE  MET A  27      -7.571   0.736   9.585  1.00  1.35           C  
ATOM    387  H   MET A  27      -9.295   2.415   5.568  1.00  0.57           H  
ATOM    388  HA  MET A  27      -9.810   4.631   7.253  1.00  0.74           H  
ATOM    389  HB2 MET A  27      -7.596   2.560   7.176  1.00  0.65           H  
ATOM    390  HB3 MET A  27      -7.863   3.641   8.544  1.00  0.83           H  
ATOM    391  HG2 MET A  27     -10.377   2.707   8.219  1.00  1.32           H  
ATOM    392  HG3 MET A  27      -9.469   1.315   7.629  1.00  1.10           H  
ATOM    393  HE1 MET A  27      -7.153   0.359  10.508  1.00  1.88           H  
ATOM    394  HE2 MET A  27      -6.837   1.346   9.083  1.00  1.62           H  
ATOM    395  HE3 MET A  27      -7.848  -0.090   8.944  1.00  1.84           H  
ATOM    396  N   LYS A  28      -7.164   4.962   5.351  1.00  0.56           N  
ATOM    397  CA  LYS A  28      -6.139   5.953   4.913  1.00  0.57           C  
ATOM    398  C   LYS A  28      -6.752   6.945   3.921  1.00  0.54           C  
ATOM    399  O   LYS A  28      -6.055   7.603   3.175  1.00  0.60           O  
ATOM    400  CB  LYS A  28      -5.049   5.121   4.235  1.00  0.54           C  
ATOM    401  CG  LYS A  28      -4.312   4.290   5.286  1.00  0.69           C  
ATOM    402  CD  LYS A  28      -2.817   4.612   5.236  1.00  1.02           C  
ATOM    403  CE  LYS A  28      -2.089   3.832   6.333  1.00  1.51           C  
ATOM    404  NZ  LYS A  28      -1.119   4.801   6.914  1.00  1.67           N  
ATOM    405  H   LYS A  28      -7.264   4.115   4.870  1.00  0.54           H  
ATOM    406  HA  LYS A  28      -5.729   6.473   5.764  1.00  0.64           H  
ATOM    407  HB2 LYS A  28      -5.501   4.463   3.506  1.00  0.51           H  
ATOM    408  HB3 LYS A  28      -4.349   5.778   3.742  1.00  0.59           H  
ATOM    409  HG2 LYS A  28      -4.699   4.526   6.267  1.00  1.07           H  
ATOM    410  HG3 LYS A  28      -4.459   3.240   5.084  1.00  1.15           H  
ATOM    411  HD2 LYS A  28      -2.421   4.332   4.270  1.00  1.62           H  
ATOM    412  HD3 LYS A  28      -2.671   5.670   5.392  1.00  1.61           H  
ATOM    413  HE2 LYS A  28      -2.791   3.500   7.086  1.00  2.03           H  
ATOM    414  HE3 LYS A  28      -1.563   2.990   5.911  1.00  2.19           H  
ATOM    415  HZ1 LYS A  28      -0.284   4.867   6.299  1.00  2.06           H  
ATOM    416  HZ2 LYS A  28      -0.830   4.477   7.860  1.00  1.91           H  
ATOM    417  HZ3 LYS A  28      -1.566   5.737   6.990  1.00  2.17           H  
ATOM    418  N   LYS A  29      -8.052   7.058   3.908  1.00  0.55           N  
ATOM    419  CA  LYS A  29      -8.708   8.009   2.965  1.00  0.57           C  
ATOM    420  C   LYS A  29      -8.481   7.560   1.519  1.00  0.50           C  
ATOM    421  O   LYS A  29      -8.270   8.366   0.634  1.00  0.65           O  
ATOM    422  CB  LYS A  29      -8.030   9.354   3.222  1.00  0.65           C  
ATOM    423  CG  LYS A  29      -8.993  10.489   2.868  1.00  0.77           C  
ATOM    424  CD  LYS A  29      -8.301  11.835   3.090  1.00  1.34           C  
ATOM    425  CE  LYS A  29      -9.273  12.804   3.766  1.00  1.77           C  
ATOM    426  NZ  LYS A  29      -8.993  14.127   3.143  1.00  2.63           N  
ATOM    427  H   LYS A  29      -8.597   6.519   4.519  1.00  0.62           H  
ATOM    428  HA  LYS A  29      -9.763   8.082   3.176  1.00  0.63           H  
ATOM    429  HB2 LYS A  29      -7.756   9.425   4.265  1.00  0.72           H  
ATOM    430  HB3 LYS A  29      -7.143   9.434   2.611  1.00  0.68           H  
ATOM    431  HG2 LYS A  29      -9.288  10.400   1.832  1.00  1.25           H  
ATOM    432  HG3 LYS A  29      -9.868  10.428   3.498  1.00  0.91           H  
ATOM    433  HD2 LYS A  29      -7.434  11.694   3.719  1.00  1.83           H  
ATOM    434  HD3 LYS A  29      -7.994  12.243   2.138  1.00  1.98           H  
ATOM    435  HE2 LYS A  29     -10.295  12.504   3.576  1.00  2.01           H  
ATOM    436  HE3 LYS A  29      -9.083  12.848   4.828  1.00  2.22           H  
ATOM    437  HZ1 LYS A  29      -9.275  14.885   3.796  1.00  3.22           H  
ATOM    438  HZ2 LYS A  29      -9.531  14.213   2.256  1.00  2.97           H  
ATOM    439  HZ3 LYS A  29      -7.976  14.207   2.941  1.00  2.91           H  
ATOM    440  N   ALA A  30      -8.521   6.279   1.272  1.00  0.36           N  
ATOM    441  CA  ALA A  30      -8.306   5.781  -0.117  1.00  0.32           C  
ATOM    442  C   ALA A  30      -9.622   5.261  -0.702  1.00  0.37           C  
ATOM    443  O   ALA A  30     -10.556   4.961   0.016  1.00  0.47           O  
ATOM    444  CB  ALA A  30      -7.294   4.643   0.022  1.00  0.27           C  
ATOM    445  H   ALA A  30      -8.691   5.645   1.999  1.00  0.38           H  
ATOM    446  HA  ALA A  30      -7.899   6.562  -0.740  1.00  0.36           H  
ATOM    447  HB1 ALA A  30      -7.396   3.967  -0.814  1.00  1.05           H  
ATOM    448  HB2 ALA A  30      -7.479   4.108   0.942  1.00  1.05           H  
ATOM    449  HB3 ALA A  30      -6.294   5.051   0.037  1.00  1.04           H  
ATOM    450  N   SER A  31      -9.704   5.152  -2.000  1.00  0.41           N  
ATOM    451  CA  SER A  31     -10.960   4.652  -2.628  1.00  0.52           C  
ATOM    452  C   SER A  31     -10.709   3.306  -3.313  1.00  0.46           C  
ATOM    453  O   SER A  31     -11.568   2.447  -3.350  1.00  0.58           O  
ATOM    454  CB  SER A  31     -11.338   5.715  -3.659  1.00  0.66           C  
ATOM    455  OG  SER A  31     -11.863   5.080  -4.817  1.00  1.53           O  
ATOM    456  H   SER A  31      -8.940   5.400  -2.561  1.00  0.43           H  
ATOM    457  HA  SER A  31     -11.741   4.560  -1.890  1.00  0.59           H  
ATOM    458  HB2 SER A  31     -12.085   6.371  -3.245  1.00  1.17           H  
ATOM    459  HB3 SER A  31     -10.460   6.292  -3.917  1.00  1.27           H  
ATOM    460  HG  SER A  31     -11.681   5.645  -5.572  1.00  1.99           H  
ATOM    461  N   GLY A  32      -9.538   3.115  -3.856  1.00  0.36           N  
ATOM    462  CA  GLY A  32      -9.233   1.825  -4.538  1.00  0.33           C  
ATOM    463  C   GLY A  32      -8.247   1.019  -3.691  1.00  0.27           C  
ATOM    464  O   GLY A  32      -7.055   1.036  -3.925  1.00  0.25           O  
ATOM    465  H   GLY A  32      -8.858   3.820  -3.816  1.00  0.39           H  
ATOM    466  HA2 GLY A  32     -10.147   1.261  -4.664  1.00  0.37           H  
ATOM    467  HA3 GLY A  32      -8.795   2.022  -5.504  1.00  0.37           H  
ATOM    468  N   GLY A  33      -8.733   0.313  -2.707  1.00  0.28           N  
ATOM    469  CA  GLY A  33      -7.822  -0.493  -1.846  1.00  0.26           C  
ATOM    470  C   GLY A  33      -7.948  -1.972  -2.213  1.00  0.30           C  
ATOM    471  O   GLY A  33      -9.006  -2.560  -2.110  1.00  0.39           O  
ATOM    472  H   GLY A  33      -9.698   0.313  -2.534  1.00  0.34           H  
ATOM    473  HA2 GLY A  33      -6.803  -0.168  -1.999  1.00  0.24           H  
ATOM    474  HA3 GLY A  33      -8.092  -0.358  -0.810  1.00  0.31           H  
ATOM    475  N   HIS A  34      -6.875  -2.581  -2.640  1.00  0.30           N  
ATOM    476  CA  HIS A  34      -6.934  -4.023  -3.013  1.00  0.38           C  
ATOM    477  C   HIS A  34      -5.545  -4.657  -2.898  1.00  0.38           C  
ATOM    478  O   HIS A  34      -4.557  -3.978  -2.698  1.00  0.46           O  
ATOM    479  CB  HIS A  34      -7.413  -4.038  -4.465  1.00  0.45           C  
ATOM    480  CG  HIS A  34      -6.379  -3.384  -5.340  1.00  0.46           C  
ATOM    481  ND1 HIS A  34      -6.529  -2.094  -5.825  1.00  0.94           N  
ATOM    482  CD2 HIS A  34      -5.174  -3.829  -5.826  1.00  0.95           C  
ATOM    483  CE1 HIS A  34      -5.443  -1.810  -6.566  1.00  0.90           C  
ATOM    484  NE2 HIS A  34      -4.585  -2.834  -6.600  1.00  0.87           N  
ATOM    485  H   HIS A  34      -6.030  -2.089  -2.715  1.00  0.29           H  
ATOM    486  HA  HIS A  34      -7.640  -4.546  -2.387  1.00  0.43           H  
ATOM    487  HB2 HIS A  34      -7.562  -5.059  -4.784  1.00  0.58           H  
ATOM    488  HB3 HIS A  34      -8.343  -3.496  -4.543  1.00  0.51           H  
ATOM    489  HD1 HIS A  34      -7.289  -1.498  -5.658  1.00  1.49           H  
ATOM    490  HD2 HIS A  34      -4.749  -4.803  -5.636  1.00  1.58           H  
ATOM    491  HE1 HIS A  34      -5.284  -0.870  -7.072  1.00  1.33           H  
ATOM    492  N   CYS A  35      -5.461  -5.953  -3.024  1.00  0.35           N  
ATOM    493  CA  CYS A  35      -4.136  -6.628  -2.922  1.00  0.35           C  
ATOM    494  C   CYS A  35      -3.557  -6.870  -4.319  1.00  0.39           C  
ATOM    495  O   CYS A  35      -4.205  -7.428  -5.182  1.00  0.52           O  
ATOM    496  CB  CYS A  35      -4.420  -7.957  -2.222  1.00  0.38           C  
ATOM    497  SG  CYS A  35      -2.888  -8.912  -2.094  1.00  0.53           S  
ATOM    498  H   CYS A  35      -6.270  -6.483  -3.185  1.00  0.38           H  
ATOM    499  HA  CYS A  35      -3.456  -6.037  -2.329  1.00  0.34           H  
ATOM    500  HB2 CYS A  35      -4.810  -7.766  -1.233  1.00  0.37           H  
ATOM    501  HB3 CYS A  35      -5.147  -8.516  -2.793  1.00  0.45           H  
ATOM    502  N   TYR A  36      -2.342  -6.453  -4.548  1.00  0.39           N  
ATOM    503  CA  TYR A  36      -1.723  -6.660  -5.890  1.00  0.46           C  
ATOM    504  C   TYR A  36      -0.217  -6.896  -5.747  1.00  0.43           C  
ATOM    505  O   TYR A  36       0.443  -6.280  -4.933  1.00  0.45           O  
ATOM    506  CB  TYR A  36      -1.993  -5.364  -6.654  1.00  0.55           C  
ATOM    507  CG  TYR A  36      -2.333  -5.687  -8.089  1.00  0.79           C  
ATOM    508  CD1 TYR A  36      -1.327  -6.100  -8.971  1.00  1.58           C  
ATOM    509  CD2 TYR A  36      -3.654  -5.574  -8.538  1.00  1.40           C  
ATOM    510  CE1 TYR A  36      -1.642  -6.399 -10.302  1.00  1.78           C  
ATOM    511  CE2 TYR A  36      -3.969  -5.874  -9.869  1.00  1.59           C  
ATOM    512  CZ  TYR A  36      -2.963  -6.286 -10.751  1.00  1.37           C  
ATOM    513  OH  TYR A  36      -3.273  -6.582 -12.063  1.00  1.67           O  
ATOM    514  H   TYR A  36      -1.835  -6.005  -3.839  1.00  0.43           H  
ATOM    515  HA  TYR A  36      -2.189  -7.490  -6.396  1.00  0.51           H  
ATOM    516  HB2 TYR A  36      -2.821  -4.842  -6.196  1.00  0.55           H  
ATOM    517  HB3 TYR A  36      -1.113  -4.739  -6.625  1.00  0.58           H  
ATOM    518  HD1 TYR A  36      -0.308  -6.187  -8.624  1.00  2.32           H  
ATOM    519  HD2 TYR A  36      -4.430  -5.256  -7.858  1.00  2.12           H  
ATOM    520  HE1 TYR A  36      -0.865  -6.718 -10.982  1.00  2.58           H  
ATOM    521  HE2 TYR A  36      -4.988  -5.787 -10.216  1.00  2.34           H  
ATOM    522  HH  TYR A  36      -3.345  -5.754 -12.544  1.00  1.95           H  
ATOM    523  N   ALA A  37       0.331  -7.782  -6.532  1.00  0.47           N  
ATOM    524  CA  ALA A  37       1.794  -8.056  -6.440  1.00  0.50           C  
ATOM    525  C   ALA A  37       2.177  -8.407  -5.000  1.00  0.45           C  
ATOM    526  O   ALA A  37       3.220  -8.016  -4.513  1.00  0.48           O  
ATOM    527  CB  ALA A  37       2.468  -6.754  -6.874  1.00  0.54           C  
ATOM    528  H   ALA A  37      -0.219  -8.268  -7.182  1.00  0.54           H  
ATOM    529  HA  ALA A  37       2.071  -8.855  -7.110  1.00  0.58           H  
ATOM    530  HB1 ALA A  37       3.389  -6.626  -6.324  1.00  1.24           H  
ATOM    531  HB2 ALA A  37       1.809  -5.923  -6.672  1.00  1.10           H  
ATOM    532  HB3 ALA A  37       2.683  -6.795  -7.931  1.00  1.12           H  
ATOM    533  N   MET A  38       1.343  -9.140  -4.316  1.00  0.42           N  
ATOM    534  CA  MET A  38       1.661  -9.515  -2.908  1.00  0.42           C  
ATOM    535  C   MET A  38       1.837  -8.256  -2.053  1.00  0.37           C  
ATOM    536  O   MET A  38       2.349  -8.309  -0.953  1.00  0.41           O  
ATOM    537  CB  MET A  38       2.973 -10.294  -2.992  1.00  0.48           C  
ATOM    538  CG  MET A  38       2.676 -11.794  -3.021  1.00  1.01           C  
ATOM    539  SD  MET A  38       3.876 -12.668  -1.986  1.00  1.58           S  
ATOM    540  CE  MET A  38       3.384 -14.350  -2.437  1.00  2.04           C  
ATOM    541  H   MET A  38       0.507  -9.445  -4.727  1.00  0.45           H  
ATOM    542  HA  MET A  38       0.885 -10.143  -2.500  1.00  0.45           H  
ATOM    543  HB2 MET A  38       3.502 -10.013  -3.892  1.00  0.79           H  
ATOM    544  HB3 MET A  38       3.583 -10.067  -2.130  1.00  0.71           H  
ATOM    545  HG2 MET A  38       1.679 -11.971  -2.645  1.00  1.72           H  
ATOM    546  HG3 MET A  38       2.747 -12.155  -4.037  1.00  1.67           H  
ATOM    547  HE1 MET A  38       2.916 -14.337  -3.412  1.00  2.47           H  
ATOM    548  HE2 MET A  38       2.685 -14.729  -1.709  1.00  2.37           H  
ATOM    549  HE3 MET A  38       4.258 -14.986  -2.460  1.00  2.49           H  
ATOM    550  N   SER A  39       1.416  -7.126  -2.552  1.00  0.36           N  
ATOM    551  CA  SER A  39       1.560  -5.866  -1.767  1.00  0.38           C  
ATOM    552  C   SER A  39       0.237  -5.095  -1.759  1.00  0.34           C  
ATOM    553  O   SER A  39      -0.470  -5.045  -2.745  1.00  0.37           O  
ATOM    554  CB  SER A  39       2.641  -5.068  -2.495  1.00  0.44           C  
ATOM    555  OG  SER A  39       3.774  -5.899  -2.708  1.00  0.56           O  
ATOM    556  H   SER A  39       1.006  -7.105  -3.441  1.00  0.38           H  
ATOM    557  HA  SER A  39       1.877  -6.083  -0.760  1.00  0.42           H  
ATOM    558  HB2 SER A  39       2.264  -4.732  -3.446  1.00  0.51           H  
ATOM    559  HB3 SER A  39       2.918  -4.210  -1.896  1.00  0.57           H  
ATOM    560  HG  SER A  39       4.112  -6.167  -1.850  1.00  1.23           H  
ATOM    561  N   CYS A  40      -0.102  -4.492  -0.652  1.00  0.33           N  
ATOM    562  CA  CYS A  40      -1.379  -3.725  -0.582  1.00  0.31           C  
ATOM    563  C   CYS A  40      -1.262  -2.429  -1.389  1.00  0.30           C  
ATOM    564  O   CYS A  40      -0.226  -1.795  -1.417  1.00  0.37           O  
ATOM    565  CB  CYS A  40      -1.574  -3.416   0.903  1.00  0.35           C  
ATOM    566  SG  CYS A  40      -3.324  -3.086   1.226  1.00  0.35           S  
ATOM    567  H   CYS A  40       0.483  -4.544   0.133  1.00  0.37           H  
ATOM    568  HA  CYS A  40      -2.199  -4.324  -0.945  1.00  0.31           H  
ATOM    569  HB2 CYS A  40      -1.253  -4.263   1.492  1.00  0.41           H  
ATOM    570  HB3 CYS A  40      -0.989  -2.549   1.170  1.00  0.37           H  
ATOM    571  N   TYR A  41      -2.317  -2.032  -2.046  1.00  0.30           N  
ATOM    572  CA  TYR A  41      -2.266  -0.777  -2.851  1.00  0.30           C  
ATOM    573  C   TYR A  41      -3.579  -0.003  -2.707  1.00  0.27           C  
ATOM    574  O   TYR A  41      -4.649  -0.528  -2.940  1.00  0.39           O  
ATOM    575  CB  TYR A  41      -2.071  -1.241  -4.295  1.00  0.35           C  
ATOM    576  CG  TYR A  41      -1.925  -0.037  -5.195  1.00  0.36           C  
ATOM    577  CD1 TYR A  41      -0.689   0.614  -5.298  1.00  0.39           C  
ATOM    578  CD2 TYR A  41      -3.024   0.429  -5.926  1.00  0.55           C  
ATOM    579  CE1 TYR A  41      -0.553   1.729  -6.132  1.00  0.46           C  
ATOM    580  CE2 TYR A  41      -2.887   1.545  -6.760  1.00  0.64           C  
ATOM    581  CZ  TYR A  41      -1.652   2.195  -6.863  1.00  0.55           C  
ATOM    582  OH  TYR A  41      -1.518   3.295  -7.686  1.00  0.67           O  
ATOM    583  H   TYR A  41      -3.143  -2.558  -2.011  1.00  0.36           H  
ATOM    584  HA  TYR A  41      -1.431  -0.167  -2.544  1.00  0.32           H  
ATOM    585  HB2 TYR A  41      -1.182  -1.850  -4.361  1.00  0.41           H  
ATOM    586  HB3 TYR A  41      -2.929  -1.819  -4.606  1.00  0.39           H  
ATOM    587  HD1 TYR A  41       0.159   0.254  -4.733  1.00  0.49           H  
ATOM    588  HD2 TYR A  41      -3.977  -0.073  -5.847  1.00  0.68           H  
ATOM    589  HE1 TYR A  41       0.400   2.231  -6.211  1.00  0.56           H  
ATOM    590  HE2 TYR A  41      -3.735   1.904  -7.325  1.00  0.83           H  
ATOM    591  HH  TYR A  41      -0.682   3.216  -8.152  1.00  0.99           H  
ATOM    592  N   CYS A  42      -3.505   1.243  -2.324  1.00  0.19           N  
ATOM    593  CA  CYS A  42      -4.749   2.049  -2.166  1.00  0.19           C  
ATOM    594  C   CYS A  42      -4.818   3.133  -3.245  1.00  0.22           C  
ATOM    595  O   CYS A  42      -3.816   3.697  -3.636  1.00  0.27           O  
ATOM    596  CB  CYS A  42      -4.639   2.679  -0.778  1.00  0.20           C  
ATOM    597  SG  CYS A  42      -4.205   1.404   0.432  1.00  0.24           S  
ATOM    598  H   CYS A  42      -2.632   1.648  -2.141  1.00  0.26           H  
ATOM    599  HA  CYS A  42      -5.619   1.413  -2.214  1.00  0.19           H  
ATOM    600  HB2 CYS A  42      -3.873   3.441  -0.788  1.00  0.23           H  
ATOM    601  HB3 CYS A  42      -5.585   3.124  -0.508  1.00  0.23           H  
ATOM    602  N   GLU A  43      -5.994   3.429  -3.727  1.00  0.25           N  
ATOM    603  CA  GLU A  43      -6.125   4.477  -4.780  1.00  0.31           C  
ATOM    604  C   GLU A  43      -6.877   5.691  -4.227  1.00  0.33           C  
ATOM    605  O   GLU A  43      -8.068   5.639  -3.988  1.00  0.40           O  
ATOM    606  CB  GLU A  43      -6.927   3.814  -5.901  1.00  0.38           C  
ATOM    607  CG  GLU A  43      -6.870   4.688  -7.155  1.00  0.60           C  
ATOM    608  CD  GLU A  43      -7.611   3.991  -8.297  1.00  1.10           C  
ATOM    609  OE1 GLU A  43      -8.812   3.813  -8.176  1.00  1.73           O  
ATOM    610  OE2 GLU A  43      -6.966   3.646  -9.274  1.00  1.76           O  
ATOM    611  H   GLU A  43      -6.790   2.963  -3.398  1.00  0.28           H  
ATOM    612  HA  GLU A  43      -5.153   4.769  -5.145  1.00  0.32           H  
ATOM    613  HB2 GLU A  43      -6.506   2.843  -6.117  1.00  0.47           H  
ATOM    614  HB3 GLU A  43      -7.954   3.701  -5.590  1.00  0.47           H  
ATOM    615  HG2 GLU A  43      -7.335   5.641  -6.951  1.00  1.00           H  
ATOM    616  HG3 GLU A  43      -5.840   4.843  -7.440  1.00  0.99           H  
ATOM    617  N   GLY A  44      -6.192   6.782  -4.020  1.00  0.33           N  
ATOM    618  CA  GLY A  44      -6.868   7.996  -3.483  1.00  0.38           C  
ATOM    619  C   GLY A  44      -6.202   8.413  -2.170  1.00  0.37           C  
ATOM    620  O   GLY A  44      -6.706   9.246  -1.444  1.00  0.49           O  
ATOM    621  H   GLY A  44      -5.232   6.802  -4.219  1.00  0.34           H  
ATOM    622  HA2 GLY A  44      -6.787   8.800  -4.201  1.00  0.45           H  
ATOM    623  HA3 GLY A  44      -7.909   7.778  -3.300  1.00  0.42           H  
ATOM    624  N   LEU A  45      -5.071   7.839  -1.860  1.00  0.31           N  
ATOM    625  CA  LEU A  45      -4.373   8.203  -0.594  1.00  0.35           C  
ATOM    626  C   LEU A  45      -4.076   9.705  -0.566  1.00  0.42           C  
ATOM    627  O   LEU A  45      -4.157  10.373  -1.578  1.00  0.45           O  
ATOM    628  CB  LEU A  45      -3.073   7.399  -0.613  1.00  0.31           C  
ATOM    629  CG  LEU A  45      -3.374   5.934  -0.295  1.00  0.37           C  
ATOM    630  CD1 LEU A  45      -2.155   5.075  -0.638  1.00  0.45           C  
ATOM    631  CD2 LEU A  45      -3.694   5.792   1.194  1.00  0.59           C  
ATOM    632  H   LEU A  45      -4.681   7.170  -2.460  1.00  0.33           H  
ATOM    633  HA  LEU A  45      -4.969   7.921   0.260  1.00  0.41           H  
ATOM    634  HB2 LEU A  45      -2.621   7.471  -1.592  1.00  0.31           H  
ATOM    635  HB3 LEU A  45      -2.394   7.794   0.128  1.00  0.36           H  
ATOM    636  HG  LEU A  45      -4.221   5.605  -0.881  1.00  0.42           H  
ATOM    637 HD11 LEU A  45      -2.380   4.456  -1.494  1.00  1.01           H  
ATOM    638 HD12 LEU A  45      -1.909   4.448   0.206  1.00  0.99           H  
ATOM    639 HD13 LEU A  45      -1.317   5.716  -0.867  1.00  1.21           H  
ATOM    640 HD21 LEU A  45      -4.736   5.534   1.316  1.00  1.17           H  
ATOM    641 HD22 LEU A  45      -3.494   6.727   1.696  1.00  1.26           H  
ATOM    642 HD23 LEU A  45      -3.079   5.014   1.622  1.00  1.15           H  
ATOM    643  N   PRO A  46      -3.739  10.184   0.600  1.00  0.51           N  
ATOM    644  CA  PRO A  46      -3.423  11.623   0.772  1.00  0.62           C  
ATOM    645  C   PRO A  46      -2.061  11.949   0.151  1.00  0.62           C  
ATOM    646  O   PRO A  46      -1.172  11.122   0.112  1.00  0.64           O  
ATOM    647  CB  PRO A  46      -3.388  11.803   2.287  1.00  0.72           C  
ATOM    648  CG  PRO A  46      -3.070  10.446   2.831  1.00  0.68           C  
ATOM    649  CD  PRO A  46      -3.622   9.437   1.857  1.00  0.56           C  
ATOM    650  HA  PRO A  46      -4.197  12.238   0.343  1.00  0.66           H  
ATOM    651  HB2 PRO A  46      -2.618  12.511   2.562  1.00  0.79           H  
ATOM    652  HB3 PRO A  46      -4.350  12.130   2.649  1.00  0.79           H  
ATOM    653  HG2 PRO A  46      -1.999  10.328   2.922  1.00  0.68           H  
ATOM    654  HG3 PRO A  46      -3.540  10.315   3.794  1.00  0.77           H  
ATOM    655  HD2 PRO A  46      -2.938   8.606   1.746  1.00  0.51           H  
ATOM    656  HD3 PRO A  46      -4.593   9.092   2.176  1.00  0.60           H  
ATOM    657  N   GLU A  47      -1.892  13.149  -0.333  1.00  0.69           N  
ATOM    658  CA  GLU A  47      -0.588  13.526  -0.951  1.00  0.75           C  
ATOM    659  C   GLU A  47       0.542  13.390   0.074  1.00  0.78           C  
ATOM    660  O   GLU A  47       1.707  13.392  -0.269  1.00  0.87           O  
ATOM    661  CB  GLU A  47      -0.757  14.986  -1.372  1.00  0.82           C  
ATOM    662  CG  GLU A  47       0.512  15.465  -2.078  1.00  0.92           C  
ATOM    663  CD  GLU A  47       0.506  16.993  -2.161  1.00  1.58           C  
ATOM    664  OE1 GLU A  47      -0.558  17.550  -2.373  1.00  2.15           O  
ATOM    665  OE2 GLU A  47       1.565  17.579  -2.012  1.00  2.30           O  
ATOM    666  H   GLU A  47      -2.622  13.801  -0.292  1.00  0.74           H  
ATOM    667  HA  GLU A  47      -0.389  12.914  -1.816  1.00  0.76           H  
ATOM    668  HB2 GLU A  47      -1.599  15.071  -2.045  1.00  0.86           H  
ATOM    669  HB3 GLU A  47      -0.932  15.596  -0.498  1.00  0.88           H  
ATOM    670  HG2 GLU A  47       1.379  15.137  -1.522  1.00  1.31           H  
ATOM    671  HG3 GLU A  47       0.547  15.053  -3.075  1.00  1.31           H  
ATOM    672  N   ASN A  48       0.206  13.273   1.329  1.00  0.77           N  
ATOM    673  CA  ASN A  48       1.262  13.137   2.374  1.00  0.85           C  
ATOM    674  C   ASN A  48       1.218  11.737   2.992  1.00  0.72           C  
ATOM    675  O   ASN A  48       1.671  11.522   4.098  1.00  0.74           O  
ATOM    676  CB  ASN A  48       0.921  14.197   3.422  1.00  1.02           C  
ATOM    677  CG  ASN A  48      -0.398  13.835   4.106  1.00  1.05           C  
ATOM    678  OD1 ASN A  48      -0.969  12.796   3.839  1.00  1.42           O  
ATOM    679  ND2 ASN A  48      -0.910  14.653   4.984  1.00  1.63           N  
ATOM    680  H   ASN A  48      -0.740  13.274   1.586  1.00  0.76           H  
ATOM    681  HA  ASN A  48       2.235  13.334   1.954  1.00  0.94           H  
ATOM    682  HB2 ASN A  48       1.710  14.241   4.159  1.00  1.18           H  
ATOM    683  HB3 ASN A  48       0.823  15.159   2.942  1.00  1.12           H  
ATOM    684 HD21 ASN A  48      -0.449  15.491   5.200  1.00  2.29           H  
ATOM    685 HD22 ASN A  48      -1.755  14.430   5.428  1.00  1.70           H  
ATOM    686  N   ALA A  49       0.675  10.783   2.285  1.00  0.61           N  
ATOM    687  CA  ALA A  49       0.603   9.398   2.833  1.00  0.56           C  
ATOM    688  C   ALA A  49       1.988   8.746   2.805  1.00  0.44           C  
ATOM    689  O   ALA A  49       2.860   9.150   2.063  1.00  0.41           O  
ATOM    690  CB  ALA A  49      -0.359   8.655   1.905  1.00  0.57           C  
ATOM    691  H   ALA A  49       0.315  10.977   1.394  1.00  0.62           H  
ATOM    692  HA  ALA A  49       0.210   9.410   3.837  1.00  0.69           H  
ATOM    693  HB1 ALA A  49       0.205   8.133   1.146  1.00  1.14           H  
ATOM    694  HB2 ALA A  49      -1.025   9.363   1.435  1.00  1.15           H  
ATOM    695  HB3 ALA A  49      -0.935   7.944   2.478  1.00  1.13           H  
ATOM    696  N   LYS A  50       2.195   7.739   3.609  1.00  0.54           N  
ATOM    697  CA  LYS A  50       3.524   7.062   3.629  1.00  0.60           C  
ATOM    698  C   LYS A  50       3.495   5.815   2.740  1.00  0.53           C  
ATOM    699  O   LYS A  50       3.106   4.746   3.167  1.00  0.55           O  
ATOM    700  CB  LYS A  50       3.750   6.674   5.090  1.00  0.84           C  
ATOM    701  CG  LYS A  50       5.193   6.201   5.276  1.00  1.05           C  
ATOM    702  CD  LYS A  50       5.946   7.194   6.164  1.00  1.53           C  
ATOM    703  CE  LYS A  50       7.260   6.566   6.633  1.00  2.10           C  
ATOM    704  NZ  LYS A  50       7.503   7.149   7.982  1.00  2.59           N  
ATOM    705  H   LYS A  50       1.478   7.428   4.200  1.00  0.64           H  
ATOM    706  HA  LYS A  50       4.297   7.740   3.303  1.00  0.62           H  
ATOM    707  HB2 LYS A  50       3.566   7.532   5.722  1.00  0.87           H  
ATOM    708  HB3 LYS A  50       3.074   5.877   5.360  1.00  0.94           H  
ATOM    709  HG2 LYS A  50       5.194   5.227   5.743  1.00  1.43           H  
ATOM    710  HG3 LYS A  50       5.679   6.141   4.314  1.00  1.32           H  
ATOM    711  HD2 LYS A  50       6.156   8.092   5.600  1.00  2.06           H  
ATOM    712  HD3 LYS A  50       5.340   7.441   7.022  1.00  1.88           H  
ATOM    713  HE2 LYS A  50       7.159   5.491   6.697  1.00  2.51           H  
ATOM    714  HE3 LYS A  50       8.064   6.831   5.965  1.00  2.59           H  
ATOM    715  HZ1 LYS A  50       8.074   6.489   8.547  1.00  2.97           H  
ATOM    716  HZ2 LYS A  50       6.592   7.315   8.457  1.00  3.07           H  
ATOM    717  HZ3 LYS A  50       8.014   8.049   7.884  1.00  2.82           H  
ATOM    718  N   VAL A  51       3.904   5.944   1.508  1.00  0.51           N  
ATOM    719  CA  VAL A  51       3.900   4.765   0.594  1.00  0.45           C  
ATOM    720  C   VAL A  51       5.196   4.722  -0.220  1.00  0.49           C  
ATOM    721  O   VAL A  51       5.975   5.655  -0.214  1.00  0.56           O  
ATOM    722  CB  VAL A  51       2.697   4.981  -0.324  1.00  0.42           C  
ATOM    723  CG1 VAL A  51       1.411   4.960   0.504  1.00  0.42           C  
ATOM    724  CG2 VAL A  51       2.829   6.335  -1.025  1.00  0.47           C  
ATOM    725  H   VAL A  51       4.215   6.815   1.183  1.00  0.57           H  
ATOM    726  HA  VAL A  51       3.776   3.853   1.155  1.00  0.45           H  
ATOM    727  HB  VAL A  51       2.663   4.193  -1.063  1.00  0.41           H  
ATOM    728 HG11 VAL A  51       1.577   5.474   1.439  1.00  1.01           H  
ATOM    729 HG12 VAL A  51       1.127   3.937   0.700  1.00  1.06           H  
ATOM    730 HG13 VAL A  51       0.622   5.454  -0.044  1.00  1.01           H  
ATOM    731 HG21 VAL A  51       1.928   6.910  -0.870  1.00  1.15           H  
ATOM    732 HG22 VAL A  51       2.980   6.180  -2.083  1.00  1.17           H  
ATOM    733 HG23 VAL A  51       3.672   6.872  -0.616  1.00  0.98           H  
ATOM    734  N   SER A  52       5.434   3.646  -0.919  1.00  0.47           N  
ATOM    735  CA  SER A  52       6.680   3.546  -1.732  1.00  0.54           C  
ATOM    736  C   SER A  52       6.428   4.060  -3.152  1.00  0.55           C  
ATOM    737  O   SER A  52       5.438   3.732  -3.775  1.00  0.62           O  
ATOM    738  CB  SER A  52       7.019   2.056  -1.753  1.00  0.54           C  
ATOM    739  OG  SER A  52       8.082   1.830  -2.670  1.00  0.79           O  
ATOM    740  H   SER A  52       4.793   2.905  -0.910  1.00  0.44           H  
ATOM    741  HA  SER A  52       7.480   4.099  -1.266  1.00  0.63           H  
ATOM    742  HB2 SER A  52       7.326   1.740  -0.770  1.00  0.64           H  
ATOM    743  HB3 SER A  52       6.145   1.493  -2.053  1.00  0.50           H  
ATOM    744  HG  SER A  52       8.772   1.346  -2.210  1.00  1.19           H  
ATOM    745  N   ASP A  53       7.317   4.863  -3.668  1.00  0.67           N  
ATOM    746  CA  ASP A  53       7.128   5.397  -5.047  1.00  0.72           C  
ATOM    747  C   ASP A  53       7.814   4.484  -6.067  1.00  0.76           C  
ATOM    748  O   ASP A  53       8.271   4.926  -7.102  1.00  0.83           O  
ATOM    749  CB  ASP A  53       7.789   6.776  -5.032  1.00  0.91           C  
ATOM    750  CG  ASP A  53       9.278   6.625  -4.714  1.00  1.04           C  
ATOM    751  OD1 ASP A  53       9.600   5.830  -3.847  1.00  1.61           O  
ATOM    752  OD2 ASP A  53      10.070   7.308  -5.342  1.00  1.46           O  
ATOM    753  H   ASP A  53       8.109   5.116  -3.149  1.00  0.83           H  
ATOM    754  HA  ASP A  53       6.078   5.495  -5.273  1.00  0.68           H  
ATOM    755  HB2 ASP A  53       7.672   7.241  -6.001  1.00  0.96           H  
ATOM    756  HB3 ASP A  53       7.322   7.391  -4.278  1.00  1.00           H  
ATOM    757  N   SER A  54       7.888   3.212  -5.782  1.00  0.78           N  
ATOM    758  CA  SER A  54       8.544   2.272  -6.735  1.00  0.89           C  
ATOM    759  C   SER A  54       7.929   0.876  -6.609  1.00  0.81           C  
ATOM    760  O   SER A  54       7.781   0.348  -5.524  1.00  0.78           O  
ATOM    761  CB  SER A  54      10.014   2.249  -6.320  1.00  1.01           C  
ATOM    762  OG  SER A  54      10.190   1.311  -5.267  1.00  1.02           O  
ATOM    763  H   SER A  54       7.513   2.876  -4.942  1.00  0.78           H  
ATOM    764  HA  SER A  54       8.452   2.635  -7.747  1.00  1.04           H  
ATOM    765  HB2 SER A  54      10.623   1.958  -7.159  1.00  1.19           H  
ATOM    766  HB3 SER A  54      10.309   3.237  -5.990  1.00  1.07           H  
ATOM    767  HG  SER A  54      11.010   1.524  -4.814  1.00  1.55           H  
ATOM    768  N   ALA A  55       7.568   0.274  -7.709  1.00  0.96           N  
ATOM    769  CA  ALA A  55       6.962  -1.087  -7.651  1.00  1.02           C  
ATOM    770  C   ALA A  55       8.054  -2.145  -7.466  1.00  1.16           C  
ATOM    771  O   ALA A  55       7.790  -3.331  -7.477  1.00  1.43           O  
ATOM    772  CB  ALA A  55       6.263  -1.268  -8.998  1.00  1.28           C  
ATOM    773  H   ALA A  55       7.695   0.717  -8.574  1.00  1.13           H  
ATOM    774  HA  ALA A  55       6.241  -1.145  -6.851  1.00  0.96           H  
ATOM    775  HB1 ALA A  55       6.991  -1.538  -9.748  1.00  1.69           H  
ATOM    776  HB2 ALA A  55       5.782  -0.343  -9.281  1.00  1.45           H  
ATOM    777  HB3 ALA A  55       5.522  -2.049  -8.918  1.00  1.88           H  
ATOM    778  N   THR A  56       9.278  -1.725  -7.297  1.00  1.13           N  
ATOM    779  CA  THR A  56      10.384  -2.707  -7.112  1.00  1.42           C  
ATOM    780  C   THR A  56      11.286  -2.275  -5.952  1.00  1.49           C  
ATOM    781  O   THR A  56      12.435  -1.930  -6.143  1.00  1.95           O  
ATOM    782  CB  THR A  56      11.158  -2.685  -8.431  1.00  1.79           C  
ATOM    783  OG1 THR A  56      10.332  -2.146  -9.454  1.00  2.12           O  
ATOM    784  CG2 THR A  56      11.575  -4.108  -8.805  1.00  2.26           C  
ATOM    785  H   THR A  56       9.469  -0.764  -7.292  1.00  1.03           H  
ATOM    786  HA  THR A  56       9.987  -3.694  -6.935  1.00  1.52           H  
ATOM    787  HB  THR A  56      12.040  -2.073  -8.321  1.00  2.38           H  
ATOM    788  HG1 THR A  56      10.808  -1.424  -9.870  1.00  2.36           H  
ATOM    789 HG21 THR A  56      10.753  -4.784  -8.619  1.00  2.61           H  
ATOM    790 HG22 THR A  56      12.425  -4.402  -8.208  1.00  2.84           H  
ATOM    791 HG23 THR A  56      11.840  -4.142  -9.851  1.00  2.50           H  
ATOM    792  N   ASN A  57      10.774  -2.293  -4.752  1.00  1.38           N  
ATOM    793  CA  ASN A  57      11.603  -1.884  -3.582  1.00  1.56           C  
ATOM    794  C   ASN A  57      12.021  -3.115  -2.773  1.00  1.01           C  
ATOM    795  O   ASN A  57      11.484  -4.192  -2.942  1.00  1.28           O  
ATOM    796  CB  ASN A  57      10.695  -0.979  -2.750  1.00  2.31           C  
ATOM    797  CG  ASN A  57       9.621  -1.824  -2.064  1.00  2.44           C  
ATOM    798  OD1 ASN A  57       8.652  -2.218  -2.684  1.00  2.75           O  
ATOM    799  ND2 ASN A  57       9.752  -2.123  -0.800  1.00  2.89           N  
ATOM    800  H   ASN A  57       9.845  -2.575  -4.620  1.00  1.46           H  
ATOM    801  HA  ASN A  57      12.472  -1.334  -3.909  1.00  2.12           H  
ATOM    802  HB2 ASN A  57      11.284  -0.467  -2.003  1.00  2.56           H  
ATOM    803  HB3 ASN A  57      10.221  -0.253  -3.395  1.00  2.92           H  
ATOM    804 HD21 ASN A  57      10.532  -1.806  -0.300  1.00  3.08           H  
ATOM    805 HD22 ASN A  57       9.069  -2.665  -0.351  1.00  3.35           H  
ATOM    806  N   ILE A  58      12.975  -2.964  -1.896  1.00  1.34           N  
ATOM    807  CA  ILE A  58      13.426  -4.127  -1.077  1.00  1.65           C  
ATOM    808  C   ILE A  58      13.587  -3.712   0.388  1.00  1.49           C  
ATOM    809  O   ILE A  58      14.493  -2.984   0.741  1.00  2.01           O  
ATOM    810  CB  ILE A  58      14.775  -4.530  -1.672  1.00  2.76           C  
ATOM    811  CG1 ILE A  58      14.551  -5.232  -3.013  1.00  3.48           C  
ATOM    812  CG2 ILE A  58      15.492  -5.482  -0.713  1.00  3.41           C  
ATOM    813  CD1 ILE A  58      15.174  -4.399  -4.135  1.00  4.22           C  
ATOM    814  H   ILE A  58      13.395  -2.088  -1.774  1.00  1.88           H  
ATOM    815  HA  ILE A  58      12.726  -4.943  -1.164  1.00  1.80           H  
ATOM    816  HB  ILE A  58      15.380  -3.647  -1.821  1.00  3.14           H  
ATOM    817 HG12 ILE A  58      15.013  -6.208  -2.989  1.00  3.90           H  
ATOM    818 HG13 ILE A  58      13.492  -5.338  -3.192  1.00  3.58           H  
ATOM    819 HG21 ILE A  58      16.258  -4.943  -0.176  1.00  3.63           H  
ATOM    820 HG22 ILE A  58      15.944  -6.286  -1.275  1.00  3.77           H  
ATOM    821 HG23 ILE A  58      14.780  -5.890  -0.011  1.00  3.86           H  
ATOM    822 HD11 ILE A  58      16.223  -4.247  -3.931  1.00  4.44           H  
ATOM    823 HD12 ILE A  58      14.676  -3.442  -4.193  1.00  4.49           H  
ATOM    824 HD13 ILE A  58      15.062  -4.920  -5.075  1.00  4.69           H  
ATOM    825  N   CYS A  59      12.713  -4.169   1.243  1.00  1.09           N  
ATOM    826  CA  CYS A  59      12.817  -3.800   2.684  1.00  1.20           C  
ATOM    827  C   CYS A  59      13.855  -4.683   3.382  1.00  1.56           C  
ATOM    828  O   CYS A  59      13.835  -5.892   3.265  1.00  2.00           O  
ATOM    829  CB  CYS A  59      11.423  -4.052   3.259  1.00  1.31           C  
ATOM    830  SG  CYS A  59      11.479  -3.904   5.062  1.00  1.52           S  
ATOM    831  H   CYS A  59      11.989  -4.755   0.938  1.00  1.10           H  
ATOM    832  HA  CYS A  59      13.076  -2.758   2.789  1.00  1.60           H  
ATOM    833  HB2 CYS A  59      10.732  -3.325   2.859  1.00  1.83           H  
ATOM    834  HB3 CYS A  59      11.097  -5.046   2.989  1.00  1.92           H  
ATOM    835  N   GLY A  60      14.761  -4.088   4.108  1.00  1.98           N  
ATOM    836  CA  GLY A  60      15.798  -4.894   4.813  1.00  2.52           C  
ATOM    837  C   GLY A  60      17.094  -4.086   4.912  1.00  3.08           C  
ATOM    838  O   GLY A  60      17.067  -2.917   4.566  1.00  3.49           O  
ATOM    839  OXT GLY A  60      18.090  -4.651   5.333  1.00  3.64           O  
ATOM    840  H   GLY A  60      14.760  -3.111   4.190  1.00  2.23           H  
ATOM    841  HA2 GLY A  60      15.449  -5.140   5.806  1.00  2.75           H  
ATOM    842  HA3 GLY A  60      15.986  -5.802   4.261  1.00  2.89           H  
TER     843      GLY A  60                                                      
CONECT  152  830                                                                
CONECT  214  497                                                                
CONECT  299  566                                                                
CONECT  352  597                                                                
CONECT  497  214                                                                
CONECT  566  299                                                                
CONECT  597  352                                                                
CONECT  830  152                                                                
MASTER      112    0    0    1    4    0    0    6  436    1    8    5          
END