HEADER    TOXIN                                   16-APR-02   1J5J              
TITLE     SOLUTION STRUCTURE OF HERG-SPECIFIC SCORPION TOXIN BEKM-1             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BEKM-1 TOXIN;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MESOBUTHUS EUPEUS;                              
SOURCE   3 ORGANISM_COMMON: LESSER ASIAN SCORPION;                              
SOURCE   4 ORGANISM_TAXID: 34648;                                               
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: HB101;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PEZZ18                                    
KEYWDS    ALPHA-BETA MOTIF, CYSTEINE-KNOT MOTIF, TOXIN                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    Y.V.KOROLOKOVA,E.V.BOCHAROV,K.ANGELO,I.V.MASLENNIKOV,O.V.GRINENKO,    
AUTHOR   2 A.V.LIPKIN,E.D.NOSIREVA,K.A.PLUZHNIKOV,S.-P.OLESEN,A.S.ARSENIEV,     
AUTHOR   3 E.V.GRISHIN                                                          
REVDAT   4   27-DEC-23 1J5J    1       REMARK                                   
REVDAT   3   23-FEB-22 1J5J    1       REMARK                                   
REVDAT   2   24-FEB-09 1J5J    1       VERSN                                    
REVDAT   1   20-NOV-02 1J5J    0                                                
JRNL        AUTH   Y.V.KOROLKOVA,E.V.BOCHAROV,K.ANGELO,I.V.MASLENNIKOV,         
JRNL        AUTH 2 O.V.GRINENKO,A.V.LIPKIN,E.D.NOSYREVA,K.A.PLUZHNIKOV,         
JRNL        AUTH 3 S.P.OLESEN,A.S.ARSENIEV,E.V.GRISHIN                          
JRNL        TITL   NEW BINDING SITE ON COMMON MOLECULAR SCAFFOLD PROVIDES HERG  
JRNL        TITL 2 CHANNEL SPECIFICITY OF SCORPION TOXIN BEKM-1.                
JRNL        REF    J.BIOL.CHEM.                  V. 277 43104 2002              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   12151390                                                     
JRNL        DOI    10.1074/JBC.M204083200                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   Y.V.KOROLKOVA,S.A.KOZLOV,A.V.LIPKIN,K.A.PLUZHNIKOV,          
REMARK   1  AUTH 2 J.K.HADLEY,A.K.FILIPPOV,D.A.BROWN,K.ANGELO,D.STROBEK,        
REMARK   1  AUTH 3 T.JESPERSEN,S.P.OLESEN,B.S.JENSEN,E.V.GRISHIN                
REMARK   1  TITL   AN ERG CHANNEL INHIBITOR FROM THE SCORPION BUTHUS EUPEUS     
REMARK   1  REF    J.BIOL.CHEM.                  V. 276  9868 2001              
REMARK   1  REFN                   ISSN 0021-9258                               
REMARK   1  DOI    10.1074/JBC.M005973200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 5.3B, FANTOM 4                                  
REMARK   3   AUTHORS     : VARIAN (VNMR), SCHAUMANN (FANTOM)                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES ARE BASED ON A TOTAL OF 653 RESTRAINTS:              
REMARK   3  326/67 ARE NOE-DERIVED UPPER/LOWER DISTANCE CONSTRAINTS,            
REMARK   3  68/46 BACKBONE/SIDECHAIN DIHEDRAL ANGLE RESTRAINTS,                 
REMARK   3  64/64 UPPER/LOWER DISTANCE RESTRAINTS FROM 23 (18 BB-BB, 5 BB-SC)   
REMARK   3  HYDROGEN BONDS,                                                     
REMARK   3  9/9 UPPER/LOWER DISTANCE RESTRAINTS FROM 3 SS-BONDS.                
REMARK   4                                                                      
REMARK   4 1J5J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAY-02.                  
REMARK 100 THE DEPOSITION ID IS D_1000001638.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 3.5                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM BEKM-1, 90% H2O, 10% D2O; 1   
REMARK 210                                   MM BEKM-1, 99.9% D2O               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY; 2D TOCSY; 2D NOESY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITY                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR 5.3B, XEASY 1.2.11, DYANA     
REMARK 210                                   1.5                                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING COMBINED       
REMARK 210                                   WITH TORSION ANGLE DYNAMICS        
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 2D              
REMARK 210  HOMONUCLEAR 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 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5184   RELATED DB: BMRB                                  
REMARK 900 PROTON CHEMICAL SHIFTS AND COUPLING CONSTANTS OF BEKM-1              
REMARK 900 RELATED ID: 1LGL   RELATED DB: PDB                                   
REMARK 900 PDB-ID 1LGL REPRESENTS THE ENSEMBLE.                                 
DBREF  1J5J A    1    36  UNP    Q9BKB7   SEKM_BUTEU      22     57             
SEQRES   1 A   36  ARG PRO THR ASP ILE LYS CYS SER GLU SER TYR GLN CYS          
SEQRES   2 A   36  PHE PRO VAL CYS LYS SER ARG PHE GLY LYS THR ASN GLY          
SEQRES   3 A   36  ARG CYS VAL ASN GLY PHE CYS ASP CYS PHE                      
HELIX    1   1 GLU A    9  GLN A   12  5                                   4    
HELIX    2   2 CYS A   13  PHE A   21  1                                   9    
SHEET    1   A 3 PRO A   2  LYS A   6  0                                        
SHEET    2   A 3 PHE A  32  PHE A  36 -1  N  CYS A  33   O  ILE A   5           
SHEET    3   A 3 ASN A  25  VAL A  29 -1  O  ASN A  25   N  PHE A  36           
SSBOND   1 CYS A    7    CYS A   28                          1555   1555  2.16  
SSBOND   2 CYS A   13    CYS A   33                          1555   1555  2.17  
SSBOND   3 CYS A   17    CYS A   35                          1555   1555  1.95  
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   ARG A   1      -6.799   5.389  -2.136  1.00  0.00           N  
ATOM      2  CA  ARG A   1      -7.197   4.775  -3.391  1.00  0.00           C  
ATOM      3  C   ARG A   1      -6.478   3.437  -3.580  1.00  0.00           C  
ATOM      4  O   ARG A   1      -5.411   3.216  -3.010  1.00  0.00           O  
ATOM      5  CB  ARG A   1      -6.878   5.688  -4.576  1.00  0.00           C  
ATOM      6  CG  ARG A   1      -7.783   6.922  -4.577  1.00  0.00           C  
ATOM      7  CD  ARG A   1      -7.523   7.792  -5.808  1.00  0.00           C  
ATOM      8  NE  ARG A   1      -8.415   8.973  -5.791  1.00  0.00           N  
ATOM      9  CZ  ARG A   1      -8.423   9.923  -6.736  1.00  0.00           C  
ATOM     10  NH1 ARG A   1      -7.589   9.835  -7.781  1.00  0.00           N  
ATOM     11  NH2 ARG A   1      -9.267  10.959  -6.637  1.00  0.00           N  
ATOM     12  H1  ARG A   1      -5.931   5.896  -2.268  1.00  0.00           H  
ATOM     13  H2  ARG A   1      -7.522   6.030  -1.829  1.00  0.00           H  
ATOM     14  H3  ARG A   1      -6.666   4.668  -1.435  1.00  0.00           H  
ATOM     15  HA  ARG A   1      -8.274   4.632  -3.302  1.00  0.00           H  
ATOM     16  HB2 ARG A   1      -5.834   5.998  -4.531  1.00  0.00           H  
ATOM     17  HB3 ARG A   1      -7.007   5.139  -5.509  1.00  0.00           H  
ATOM     18  HG2 ARG A   1      -8.828   6.611  -4.561  1.00  0.00           H  
ATOM     19  HG3 ARG A   1      -7.610   7.505  -3.672  1.00  0.00           H  
ATOM     20  HD2 ARG A   1      -6.481   8.113  -5.823  1.00  0.00           H  
ATOM     21  HD3 ARG A   1      -7.690   7.213  -6.716  1.00  0.00           H  
ATOM     22  HE  ARG A   1      -9.052   9.068  -5.025  1.00  0.00           H  
ATOM     23 HH11 ARG A   1      -6.959   9.061  -7.854  1.00  0.00           H  
ATOM     24 HH12 ARG A   1      -7.594  10.544  -8.486  1.00  0.00           H  
ATOM     25 HH21 ARG A   1      -9.890  11.024  -5.858  1.00  0.00           H  
ATOM     26 HH22 ARG A   1      -9.272  11.668  -7.343  1.00  0.00           H  
ATOM     27  N   PRO A   2      -7.109   2.557  -4.402  1.00  0.00           N  
ATOM     28  CA  PRO A   2      -6.428   1.371  -4.893  1.00  0.00           C  
ATOM     29  C   PRO A   2      -5.425   1.730  -5.991  1.00  0.00           C  
ATOM     30  O   PRO A   2      -5.588   2.735  -6.682  1.00  0.00           O  
ATOM     31  CB  PRO A   2      -7.538   0.452  -5.379  1.00  0.00           C  
ATOM     32  CG  PRO A   2      -8.758   1.338  -5.573  1.00  0.00           C  
ATOM     33  CD  PRO A   2      -8.484   2.666  -4.884  1.00  0.00           C  
ATOM     34  HA  PRO A   2      -5.893   0.950  -4.161  1.00  0.00           H  
ATOM     35  HB2 PRO A   2      -7.258  -0.037  -6.312  1.00  0.00           H  
ATOM     36  HB3 PRO A   2      -7.738  -0.336  -4.654  1.00  0.00           H  
ATOM     37  HG2 PRO A   2      -8.953   1.492  -6.633  1.00  0.00           H  
ATOM     38  HG3 PRO A   2      -9.643   0.865  -5.151  1.00  0.00           H  
ATOM     39  HD2 PRO A   2      -8.595   3.501  -5.575  1.00  0.00           H  
ATOM     40  HD3 PRO A   2      -9.179   2.836  -4.063  1.00  0.00           H  
ATOM     41  N   THR A   3      -4.409   0.890  -6.118  1.00  0.00           N  
ATOM     42  CA  THR A   3      -3.393   1.092  -7.137  1.00  0.00           C  
ATOM     43  C   THR A   3      -3.161  -0.201  -7.921  1.00  0.00           C  
ATOM     44  O   THR A   3      -3.995  -1.105  -7.898  1.00  0.00           O  
ATOM     45  CB  THR A   3      -2.133   1.621  -6.450  1.00  0.00           C  
ATOM     46  OG1 THR A   3      -1.569   0.470  -5.826  1.00  0.00           O  
ATOM     47  CG2 THR A   3      -2.450   2.559  -5.284  1.00  0.00           C  
ATOM     48  H   THR A   3      -4.273   0.084  -5.540  1.00  0.00           H  
ATOM     49  HA  THR A   3      -3.761   1.834  -7.845  1.00  0.00           H  
ATOM     50  HB  THR A   3      -1.471   2.104  -7.170  1.00  0.00           H  
ATOM     51  HG1 THR A   3      -2.219   0.081  -5.175  1.00  0.00           H  
ATOM     52 HG21 THR A   3      -1.524   2.979  -4.892  1.00  0.00           H  
ATOM     53 HG22 THR A   3      -3.096   3.366  -5.633  1.00  0.00           H  
ATOM     54 HG23 THR A   3      -2.959   2.001  -4.497  1.00  0.00           H  
ATOM     55  N   ASP A   4      -2.022  -0.248  -8.598  1.00  0.00           N  
ATOM     56  CA  ASP A   4      -1.646  -1.435  -9.348  1.00  0.00           C  
ATOM     57  C   ASP A   4      -0.304  -1.955  -8.831  1.00  0.00           C  
ATOM     58  O   ASP A   4       0.349  -2.763  -9.490  1.00  0.00           O  
ATOM     59  CB  ASP A   4      -1.490  -1.119 -10.837  1.00  0.00           C  
ATOM     60  CG  ASP A   4      -0.355  -0.151 -11.176  1.00  0.00           C  
ATOM     61  OD1 ASP A   4       0.192   0.527 -10.293  1.00  0.00           O  
ATOM     62  OD2 ASP A   4      -0.030  -0.106 -12.424  1.00  0.00           O  
ATOM     63  H   ASP A   4      -1.365   0.504  -8.640  1.00  0.00           H  
ATOM     64  HA  ASP A   4      -2.458  -2.144  -9.188  1.00  0.00           H  
ATOM     65  HB2 ASP A   4      -1.323  -2.051 -11.375  1.00  0.00           H  
ATOM     66  HB3 ASP A   4      -2.426  -0.701 -11.205  1.00  0.00           H  
ATOM     67  HD2 ASP A   4      -0.677  -0.643 -12.965  1.00  0.00           H  
ATOM     68  N   ILE A   5       0.069  -1.471  -7.655  1.00  0.00           N  
ATOM     69  CA  ILE A   5       1.318  -1.884  -7.038  1.00  0.00           C  
ATOM     70  C   ILE A   5       1.145  -3.276  -6.428  1.00  0.00           C  
ATOM     71  O   ILE A   5       0.431  -3.441  -5.440  1.00  0.00           O  
ATOM     72  CB  ILE A   5       1.796  -0.830  -6.037  1.00  0.00           C  
ATOM     73  CG1 ILE A   5       2.014   0.520  -6.724  1.00  0.00           C  
ATOM     74  CG2 ILE A   5       3.046  -1.304  -5.295  1.00  0.00           C  
ATOM     75  CD1 ILE A   5       2.014   1.661  -5.705  1.00  0.00           C  
ATOM     76  H   ILE A   5      -0.465  -0.809  -7.128  1.00  0.00           H  
ATOM     77  HA  ILE A   5       2.069  -1.942  -7.826  1.00  0.00           H  
ATOM     78  HB  ILE A   5       1.013  -0.687  -5.291  1.00  0.00           H  
ATOM     79 HG12 ILE A   5       2.962   0.508  -7.262  1.00  0.00           H  
ATOM     80 HG13 ILE A   5       1.230   0.687  -7.463  1.00  0.00           H  
ATOM     81 HG21 ILE A   5       3.361  -0.539  -4.586  1.00  0.00           H  
ATOM     82 HG22 ILE A   5       2.822  -2.226  -4.757  1.00  0.00           H  
ATOM     83 HG23 ILE A   5       3.846  -1.488  -6.012  1.00  0.00           H  
ATOM     84 HD11 ILE A   5       2.004   2.617  -6.230  1.00  0.00           H  
ATOM     85 HD12 ILE A   5       1.128   1.584  -5.073  1.00  0.00           H  
ATOM     86 HD13 ILE A   5       2.909   1.595  -5.086  1.00  0.00           H  
ATOM     87  N   LYS A   6       1.810  -4.243  -7.043  1.00  0.00           N  
ATOM     88  CA  LYS A   6       1.587  -5.639  -6.703  1.00  0.00           C  
ATOM     89  C   LYS A   6       2.209  -5.931  -5.336  1.00  0.00           C  
ATOM     90  O   LYS A   6       3.260  -5.389  -4.999  1.00  0.00           O  
ATOM     91  CB  LYS A   6       2.098  -6.550  -7.820  1.00  0.00           C  
ATOM     92  CG  LYS A   6       1.639  -7.993  -7.602  1.00  0.00           C  
ATOM     93  CD  LYS A   6       2.034  -8.879  -8.785  1.00  0.00           C  
ATOM     94  CE  LYS A   6       1.573 -10.322  -8.570  1.00  0.00           C  
ATOM     95  NZ  LYS A   6       1.958 -11.168  -9.721  1.00  0.00           N  
ATOM     96  H   LYS A   6       2.489  -4.086  -7.761  1.00  0.00           H  
ATOM     97  HA  LYS A   6       0.509  -5.789  -6.631  1.00  0.00           H  
ATOM     98  HB2 LYS A   6       1.737  -6.191  -8.783  1.00  0.00           H  
ATOM     99  HB3 LYS A   6       3.187  -6.513  -7.854  1.00  0.00           H  
ATOM    100  HG2 LYS A   6       2.081  -8.385  -6.686  1.00  0.00           H  
ATOM    101  HG3 LYS A   6       0.557  -8.018  -7.470  1.00  0.00           H  
ATOM    102  HD2 LYS A   6       1.594  -8.485  -9.701  1.00  0.00           H  
ATOM    103  HD3 LYS A   6       3.116  -8.856  -8.916  1.00  0.00           H  
ATOM    104  HE2 LYS A   6       2.013 -10.718  -7.655  1.00  0.00           H  
ATOM    105  HE3 LYS A   6       0.490 -10.346  -8.439  1.00  0.00           H  
ATOM    106  HZ1 LYS A   6       2.953 -11.157  -9.823  1.00  0.00           H  
ATOM    107  HZ2 LYS A   6       1.650 -12.106  -9.564  1.00  0.00           H  
ATOM    108  HZ3 LYS A   6       1.535 -10.811 -10.554  1.00  0.00           H  
ATOM    109  N   CYS A   7       1.532  -6.787  -4.585  1.00  0.00           N  
ATOM    110  CA  CYS A   7       1.986  -7.130  -3.247  1.00  0.00           C  
ATOM    111  C   CYS A   7       1.404  -8.497  -2.879  1.00  0.00           C  
ATOM    112  O   CYS A   7       0.367  -8.896  -3.404  1.00  0.00           O  
ATOM    113  CB  CYS A   7       1.606  -6.055  -2.228  1.00  0.00           C  
ATOM    114  SG  CYS A   7      -0.140  -5.513  -2.299  1.00  0.00           S  
ATOM    115  H   CYS A   7       0.691  -7.242  -4.875  1.00  0.00           H  
ATOM    116  HA  CYS A   7       3.074  -7.171  -3.287  1.00  0.00           H  
ATOM    117  HB2 CYS A   7       1.814  -6.433  -1.227  1.00  0.00           H  
ATOM    118  HB3 CYS A   7       2.248  -5.187  -2.380  1.00  0.00           H  
ATOM    119  N   SER A   8       2.100  -9.177  -1.979  1.00  0.00           N  
ATOM    120  CA  SER A   8       1.576 -10.402  -1.399  1.00  0.00           C  
ATOM    121  C   SER A   8       0.940 -10.108  -0.039  1.00  0.00           C  
ATOM    122  O   SER A   8       0.031 -10.816   0.390  1.00  0.00           O  
ATOM    123  CB  SER A   8       2.677 -11.456  -1.253  1.00  0.00           C  
ATOM    124  OG  SER A   8       3.680 -11.055  -0.323  1.00  0.00           O  
ATOM    125  H   SER A   8       3.002  -8.902  -1.646  1.00  0.00           H  
ATOM    126  HA  SER A   8       0.826 -10.757  -2.104  1.00  0.00           H  
ATOM    127  HB2 SER A   8       2.236 -12.397  -0.927  1.00  0.00           H  
ATOM    128  HB3 SER A   8       3.135 -11.637  -2.225  1.00  0.00           H  
ATOM    129  HG  SER A   8       4.100 -11.860   0.095  1.00  0.00           H  
ATOM    130  N   GLU A   9       1.443  -9.062   0.600  1.00  0.00           N  
ATOM    131  CA  GLU A   9       1.172  -8.846   2.011  1.00  0.00           C  
ATOM    132  C   GLU A   9       1.169  -7.349   2.328  1.00  0.00           C  
ATOM    133  O   GLU A   9       1.684  -6.546   1.552  1.00  0.00           O  
ATOM    134  CB  GLU A   9       2.185  -9.590   2.885  1.00  0.00           C  
ATOM    135  CG  GLU A   9       1.922 -11.097   2.867  1.00  0.00           C  
ATOM    136  CD  GLU A   9       2.808 -11.819   3.883  1.00  0.00           C  
ATOM    137  OE1 GLU A   9       3.807 -12.445   3.501  1.00  0.00           O  
ATOM    138  OE2 GLU A   9       2.425 -11.715   5.111  1.00  0.00           O  
ATOM    139  H   GLU A   9       2.025  -8.371   0.172  1.00  0.00           H  
ATOM    140  HA  GLU A   9       0.179  -9.262   2.182  1.00  0.00           H  
ATOM    141  HB2 GLU A   9       3.194  -9.389   2.528  1.00  0.00           H  
ATOM    142  HB3 GLU A   9       2.129  -9.219   3.908  1.00  0.00           H  
ATOM    143  HG2 GLU A   9       0.872 -11.289   3.091  1.00  0.00           H  
ATOM    144  HG3 GLU A   9       2.112 -11.491   1.868  1.00  0.00           H  
ATOM    145  HE2 GLU A   9       1.589 -11.170   5.163  1.00  0.00           H  
ATOM    146  N   SER A  10       0.583  -7.019   3.469  1.00  0.00           N  
ATOM    147  CA  SER A  10       0.162  -5.653   3.728  1.00  0.00           C  
ATOM    148  C   SER A  10       1.360  -4.810   4.167  1.00  0.00           C  
ATOM    149  O   SER A  10       1.420  -3.615   3.882  1.00  0.00           O  
ATOM    150  CB  SER A  10      -0.938  -5.607   4.790  1.00  0.00           C  
ATOM    151  OG  SER A  10      -2.129  -6.257   4.355  1.00  0.00           O  
ATOM    152  H   SER A  10       0.396  -7.666   4.210  1.00  0.00           H  
ATOM    153  HA  SER A  10      -0.235  -5.290   2.779  1.00  0.00           H  
ATOM    154  HB2 SER A  10      -0.579  -6.081   5.704  1.00  0.00           H  
ATOM    155  HB3 SER A  10      -1.160  -4.569   5.037  1.00  0.00           H  
ATOM    156  HG  SER A  10      -1.936  -7.213   4.133  1.00  0.00           H  
ATOM    157  N   TYR A  11       2.285  -5.465   4.853  1.00  0.00           N  
ATOM    158  CA  TYR A  11       3.439  -4.774   5.404  1.00  0.00           C  
ATOM    159  C   TYR A  11       4.387  -4.322   4.293  1.00  0.00           C  
ATOM    160  O   TYR A  11       5.293  -3.524   4.532  1.00  0.00           O  
ATOM    161  CB  TYR A  11       4.158  -5.794   6.289  1.00  0.00           C  
ATOM    162  CG  TYR A  11       4.997  -6.810   5.511  1.00  0.00           C  
ATOM    163  CD1 TYR A  11       6.273  -6.482   5.101  1.00  0.00           C  
ATOM    164  CD2 TYR A  11       4.478  -8.055   5.221  1.00  0.00           C  
ATOM    165  CE1 TYR A  11       7.063  -7.437   4.370  1.00  0.00           C  
ATOM    166  CE2 TYR A  11       5.269  -9.012   4.489  1.00  0.00           C  
ATOM    167  CZ  TYR A  11       6.522  -8.655   4.100  1.00  0.00           C  
ATOM    168  OH  TYR A  11       7.268  -9.558   3.408  1.00  0.00           O  
ATOM    169  H   TYR A  11       2.255  -6.448   5.034  1.00  0.00           H  
ATOM    170  HA  TYR A  11       3.079  -3.899   5.944  1.00  0.00           H  
ATOM    171  HB2 TYR A  11       4.804  -5.262   6.987  1.00  0.00           H  
ATOM    172  HB3 TYR A  11       3.419  -6.329   6.884  1.00  0.00           H  
ATOM    173  HD1 TYR A  11       6.683  -5.497   5.330  1.00  0.00           H  
ATOM    174  HD2 TYR A  11       3.471  -8.315   5.545  1.00  0.00           H  
ATOM    175  HE1 TYR A  11       8.072  -7.190   4.039  1.00  0.00           H  
ATOM    176  HE2 TYR A  11       4.871  -9.999   4.252  1.00  0.00           H  
ATOM    177  HH  TYR A  11       8.160  -9.164   3.183  1.00  0.00           H  
ATOM    178  N   GLN A  12       4.148  -4.850   3.102  1.00  0.00           N  
ATOM    179  CA  GLN A  12       4.884  -4.412   1.927  1.00  0.00           C  
ATOM    180  C   GLN A  12       4.398  -3.033   1.479  1.00  0.00           C  
ATOM    181  O   GLN A  12       5.180  -2.225   0.983  1.00  0.00           O  
ATOM    182  CB  GLN A  12       4.763  -5.432   0.793  1.00  0.00           C  
ATOM    183  CG  GLN A  12       5.357  -6.781   1.203  1.00  0.00           C  
ATOM    184  CD  GLN A  12       4.857  -7.901   0.287  1.00  0.00           C  
ATOM    185  OE1 GLN A  12       4.117  -7.681  -0.659  1.00  0.00           O  
ATOM    186  NE2 GLN A  12       5.301  -9.109   0.618  1.00  0.00           N  
ATOM    187  H   GLN A  12       3.469  -5.563   2.933  1.00  0.00           H  
ATOM    188  HA  GLN A  12       5.926  -4.353   2.244  1.00  0.00           H  
ATOM    189  HB2 GLN A  12       3.715  -5.558   0.524  1.00  0.00           H  
ATOM    190  HB3 GLN A  12       5.277  -5.058  -0.093  1.00  0.00           H  
ATOM    191  HG2 GLN A  12       6.444  -6.731   1.162  1.00  0.00           H  
ATOM    192  HG3 GLN A  12       5.086  -7.003   2.235  1.00  0.00           H  
ATOM    193 HE21 GLN A  12       5.944  -9.215   1.376  1.00  0.00           H  
ATOM    194 HE22 GLN A  12       4.992  -9.913   0.108  1.00  0.00           H  
ATOM    195  N   CYS A  13       3.106  -2.806   1.671  1.00  0.00           N  
ATOM    196  CA  CYS A  13       2.454  -1.650   1.079  1.00  0.00           C  
ATOM    197  C   CYS A  13       2.650  -0.456   2.015  1.00  0.00           C  
ATOM    198  O   CYS A  13       2.890   0.661   1.561  1.00  0.00           O  
ATOM    199  CB  CYS A  13       0.974  -1.918   0.798  1.00  0.00           C  
ATOM    200  SG  CYS A  13       0.651  -3.280  -0.380  1.00  0.00           S  
ATOM    201  H   CYS A  13       2.510  -3.393   2.218  1.00  0.00           H  
ATOM    202  HA  CYS A  13       2.940  -1.473   0.119  1.00  0.00           H  
ATOM    203  HB2 CYS A  13       0.475  -2.145   1.740  1.00  0.00           H  
ATOM    204  HB3 CYS A  13       0.521  -1.005   0.409  1.00  0.00           H  
ATOM    205  N   PHE A  14       2.539  -0.733   3.307  1.00  0.00           N  
ATOM    206  CA  PHE A  14       2.304   0.320   4.280  1.00  0.00           C  
ATOM    207  C   PHE A  14       3.412   1.374   4.226  1.00  0.00           C  
ATOM    208  O   PHE A  14       3.135   2.572   4.240  1.00  0.00           O  
ATOM    209  CB  PHE A  14       2.311  -0.338   5.661  1.00  0.00           C  
ATOM    210  CG  PHE A  14       3.042   0.471   6.734  1.00  0.00           C  
ATOM    211  CD1 PHE A  14       2.626   1.730   7.037  1.00  0.00           C  
ATOM    212  CD2 PHE A  14       4.109  -0.068   7.384  1.00  0.00           C  
ATOM    213  CE1 PHE A  14       3.306   2.481   8.032  1.00  0.00           C  
ATOM    214  CE2 PHE A  14       4.788   0.683   8.379  1.00  0.00           C  
ATOM    215  CZ  PHE A  14       4.372   1.942   8.682  1.00  0.00           C  
ATOM    216  H   PHE A  14       2.608  -1.654   3.688  1.00  0.00           H  
ATOM    217  HA  PHE A  14       1.350   0.784   4.031  1.00  0.00           H  
ATOM    218  HB2 PHE A  14       1.281  -0.499   5.981  1.00  0.00           H  
ATOM    219  HB3 PHE A  14       2.777  -1.321   5.582  1.00  0.00           H  
ATOM    220  HD1 PHE A  14       1.772   2.162   6.516  1.00  0.00           H  
ATOM    221  HD2 PHE A  14       4.442  -1.077   7.140  1.00  0.00           H  
ATOM    222  HE1 PHE A  14       2.972   3.490   8.276  1.00  0.00           H  
ATOM    223  HE2 PHE A  14       5.643   0.252   8.899  1.00  0.00           H  
ATOM    224  HZ  PHE A  14       4.893   2.519   9.446  1.00  0.00           H  
ATOM    225  N   PRO A  15       4.676   0.877   4.164  1.00  0.00           N  
ATOM    226  CA  PRO A  15       5.827   1.762   4.123  1.00  0.00           C  
ATOM    227  C   PRO A  15       5.976   2.405   2.743  1.00  0.00           C  
ATOM    228  O   PRO A  15       6.478   3.521   2.624  1.00  0.00           O  
ATOM    229  CB  PRO A  15       7.011   0.886   4.502  1.00  0.00           C  
ATOM    230  CG  PRO A  15       6.554  -0.548   4.287  1.00  0.00           C  
ATOM    231  CD  PRO A  15       5.041  -0.536   4.133  1.00  0.00           C  
ATOM    232  HA  PRO A  15       5.706   2.519   4.765  1.00  0.00           H  
ATOM    233  HB2 PRO A  15       7.879   1.116   3.885  1.00  0.00           H  
ATOM    234  HB3 PRO A  15       7.304   1.052   5.538  1.00  0.00           H  
ATOM    235  HG2 PRO A  15       7.025  -0.969   3.399  1.00  0.00           H  
ATOM    236  HG3 PRO A  15       6.847  -1.171   5.131  1.00  0.00           H  
ATOM    237  HD2 PRO A  15       4.735  -1.003   3.197  1.00  0.00           H  
ATOM    238  HD3 PRO A  15       4.558  -1.088   4.938  1.00  0.00           H  
ATOM    239  N   VAL A  16       5.530   1.672   1.733  1.00  0.00           N  
ATOM    240  CA  VAL A  16       5.598   2.160   0.366  1.00  0.00           C  
ATOM    241  C   VAL A  16       4.639   3.342   0.203  1.00  0.00           C  
ATOM    242  O   VAL A  16       4.940   4.294  -0.516  1.00  0.00           O  
ATOM    243  CB  VAL A  16       5.313   1.019  -0.612  1.00  0.00           C  
ATOM    244  CG1 VAL A  16       4.164   1.380  -1.556  1.00  0.00           C  
ATOM    245  CG2 VAL A  16       6.570   0.642  -1.398  1.00  0.00           C  
ATOM    246  H   VAL A  16       5.128   0.762   1.838  1.00  0.00           H  
ATOM    247  HA  VAL A  16       6.616   2.508   0.192  1.00  0.00           H  
ATOM    248  HB  VAL A  16       5.008   0.148  -0.031  1.00  0.00           H  
ATOM    249 HG11 VAL A  16       4.412   2.293  -2.097  1.00  0.00           H  
ATOM    250 HG12 VAL A  16       4.008   0.568  -2.265  1.00  0.00           H  
ATOM    251 HG13 VAL A  16       3.254   1.537  -0.977  1.00  0.00           H  
ATOM    252 HG21 VAL A  16       6.348  -0.193  -2.061  1.00  0.00           H  
ATOM    253 HG22 VAL A  16       6.899   1.498  -1.989  1.00  0.00           H  
ATOM    254 HG23 VAL A  16       7.360   0.355  -0.704  1.00  0.00           H  
ATOM    255  N   CYS A  17       3.507   3.241   0.882  1.00  0.00           N  
ATOM    256  CA  CYS A  17       2.480   4.265   0.779  1.00  0.00           C  
ATOM    257  C   CYS A  17       2.938   5.487   1.578  1.00  0.00           C  
ATOM    258  O   CYS A  17       2.752   6.622   1.143  1.00  0.00           O  
ATOM    259  CB  CYS A  17       1.119   3.750   1.254  1.00  0.00           C  
ATOM    260  SG  CYS A  17       0.352   2.493   0.166  1.00  0.00           S  
ATOM    261  H   CYS A  17       3.285   2.481   1.492  1.00  0.00           H  
ATOM    262  HA  CYS A  17       2.384   4.508  -0.279  1.00  0.00           H  
ATOM    263  HB2 CYS A  17       1.234   3.325   2.251  1.00  0.00           H  
ATOM    264  HB3 CYS A  17       0.438   4.596   1.344  1.00  0.00           H  
ATOM    265  N   LYS A  18       3.527   5.212   2.733  1.00  0.00           N  
ATOM    266  CA  LYS A  18       3.956   6.276   3.625  1.00  0.00           C  
ATOM    267  C   LYS A  18       5.148   7.006   3.004  1.00  0.00           C  
ATOM    268  O   LYS A  18       5.326   8.204   3.218  1.00  0.00           O  
ATOM    269  CB  LYS A  18       4.235   5.721   5.023  1.00  0.00           C  
ATOM    270  CG  LYS A  18       4.509   6.852   6.017  1.00  0.00           C  
ATOM    271  CD  LYS A  18       4.583   6.318   7.448  1.00  0.00           C  
ATOM    272  CE  LYS A  18       4.895   7.443   8.438  1.00  0.00           C  
ATOM    273  NZ  LYS A  18       4.951   6.916   9.820  1.00  0.00           N  
ATOM    274  H   LYS A  18       3.711   4.286   3.060  1.00  0.00           H  
ATOM    275  HA  LYS A  18       3.129   6.979   3.716  1.00  0.00           H  
ATOM    276  HB2 LYS A  18       3.383   5.133   5.363  1.00  0.00           H  
ATOM    277  HB3 LYS A  18       5.092   5.048   4.987  1.00  0.00           H  
ATOM    278  HG2 LYS A  18       5.446   7.346   5.761  1.00  0.00           H  
ATOM    279  HG3 LYS A  18       3.722   7.603   5.945  1.00  0.00           H  
ATOM    280  HD2 LYS A  18       3.636   5.848   7.715  1.00  0.00           H  
ATOM    281  HD3 LYS A  18       5.351   5.547   7.515  1.00  0.00           H  
ATOM    282  HE2 LYS A  18       5.847   7.907   8.180  1.00  0.00           H  
ATOM    283  HE3 LYS A  18       4.133   8.218   8.368  1.00  0.00           H  
ATOM    284  HZ1 LYS A  18       4.068   6.514  10.060  1.00  0.00           H  
ATOM    285  HZ2 LYS A  18       5.663   6.218   9.882  1.00  0.00           H  
ATOM    286  HZ3 LYS A  18       5.159   7.663  10.453  1.00  0.00           H  
ATOM    287  N   SER A  19       5.934   6.254   2.247  1.00  0.00           N  
ATOM    288  CA  SER A  19       7.088   6.821   1.571  1.00  0.00           C  
ATOM    289  C   SER A  19       6.634   7.645   0.364  1.00  0.00           C  
ATOM    290  O   SER A  19       7.023   8.802   0.215  1.00  0.00           O  
ATOM    291  CB  SER A  19       8.062   5.727   1.132  1.00  0.00           C  
ATOM    292  OG  SER A  19       9.174   6.258   0.414  1.00  0.00           O  
ATOM    293  H   SER A  19       5.792   5.276   2.093  1.00  0.00           H  
ATOM    294  HA  SER A  19       7.570   7.461   2.311  1.00  0.00           H  
ATOM    295  HB2 SER A  19       8.421   5.187   2.009  1.00  0.00           H  
ATOM    296  HB3 SER A  19       7.538   5.006   0.505  1.00  0.00           H  
ATOM    297  HG  SER A  19       9.727   6.832   1.018  1.00  0.00           H  
ATOM    298  N   ARG A  20       5.818   7.015  -0.469  1.00  0.00           N  
ATOM    299  CA  ARG A  20       5.530   7.555  -1.786  1.00  0.00           C  
ATOM    300  C   ARG A  20       4.476   8.660  -1.688  1.00  0.00           C  
ATOM    301  O   ARG A  20       4.730   9.801  -2.072  1.00  0.00           O  
ATOM    302  CB  ARG A  20       5.026   6.463  -2.731  1.00  0.00           C  
ATOM    303  CG  ARG A  20       4.784   7.020  -4.135  1.00  0.00           C  
ATOM    304  CD  ARG A  20       4.504   5.894  -5.133  1.00  0.00           C  
ATOM    305  NE  ARG A  20       4.052   6.461  -6.423  1.00  0.00           N  
ATOM    306  CZ  ARG A  20       3.691   5.725  -7.482  1.00  0.00           C  
ATOM    307  NH1 ARG A  20       3.786   4.389  -7.433  1.00  0.00           N  
ATOM    308  NH2 ARG A  20       3.235   6.323  -8.590  1.00  0.00           N  
ATOM    309  H   ARG A  20       5.358   6.153  -0.256  1.00  0.00           H  
ATOM    310  HA  ARG A  20       6.482   7.952  -2.140  1.00  0.00           H  
ATOM    311  HB2 ARG A  20       5.755   5.654  -2.779  1.00  0.00           H  
ATOM    312  HB3 ARG A  20       4.102   6.036  -2.341  1.00  0.00           H  
ATOM    313  HG2 ARG A  20       3.941   7.711  -4.116  1.00  0.00           H  
ATOM    314  HG3 ARG A  20       5.655   7.591  -4.460  1.00  0.00           H  
ATOM    315  HD2 ARG A  20       5.404   5.299  -5.284  1.00  0.00           H  
ATOM    316  HD3 ARG A  20       3.742   5.226  -4.733  1.00  0.00           H  
ATOM    317  HE  ARG A  20       4.015   7.457  -6.510  1.00  0.00           H  
ATOM    318 HH11 ARG A  20       4.139   3.943  -6.610  1.00  0.00           H  
ATOM    319 HH12 ARG A  20       3.506   3.838  -8.218  1.00  0.00           H  
ATOM    320 HH21 ARG A  20       3.162   7.320  -8.626  1.00  0.00           H  
ATOM    321 HH22 ARG A  20       2.967   5.774  -9.381  1.00  0.00           H  
ATOM    322  N   PHE A  21       3.316   8.283  -1.172  1.00  0.00           N  
ATOM    323  CA  PHE A  21       2.156   9.157  -1.220  1.00  0.00           C  
ATOM    324  C   PHE A  21       2.017   9.958   0.076  1.00  0.00           C  
ATOM    325  O   PHE A  21       1.346  10.989   0.104  1.00  0.00           O  
ATOM    326  CB  PHE A  21       0.927   8.259  -1.385  1.00  0.00           C  
ATOM    327  CG  PHE A  21       0.942   7.410  -2.657  1.00  0.00           C  
ATOM    328  CD1 PHE A  21       0.998   8.012  -3.875  1.00  0.00           C  
ATOM    329  CD2 PHE A  21       0.901   6.053  -2.570  1.00  0.00           C  
ATOM    330  CE1 PHE A  21       1.012   7.223  -5.057  1.00  0.00           C  
ATOM    331  CE2 PHE A  21       0.916   5.266  -3.751  1.00  0.00           C  
ATOM    332  CZ  PHE A  21       0.970   5.867  -4.970  1.00  0.00           C  
ATOM    333  H   PHE A  21       3.162   7.401  -0.726  1.00  0.00           H  
ATOM    334  HA  PHE A  21       2.302   9.842  -2.055  1.00  0.00           H  
ATOM    335  HB2 PHE A  21       0.854   7.599  -0.521  1.00  0.00           H  
ATOM    336  HB3 PHE A  21       0.032   8.882  -1.387  1.00  0.00           H  
ATOM    337  HD1 PHE A  21       1.031   9.099  -3.945  1.00  0.00           H  
ATOM    338  HD2 PHE A  21       0.857   5.571  -1.594  1.00  0.00           H  
ATOM    339  HE1 PHE A  21       1.056   7.706  -6.033  1.00  0.00           H  
ATOM    340  HE2 PHE A  21       0.882   4.178  -3.681  1.00  0.00           H  
ATOM    341  HZ  PHE A  21       0.981   5.262  -5.877  1.00  0.00           H  
ATOM    342  N   GLY A  22       2.662   9.454   1.117  1.00  0.00           N  
ATOM    343  CA  GLY A  22       2.614  10.106   2.415  1.00  0.00           C  
ATOM    344  C   GLY A  22       1.316   9.769   3.151  1.00  0.00           C  
ATOM    345  O   GLY A  22       0.848  10.546   3.980  1.00  0.00           O  
ATOM    346  H   GLY A  22       3.209   8.617   1.085  1.00  0.00           H  
ATOM    347  HA2 GLY A  22       3.468   9.793   3.015  1.00  0.00           H  
ATOM    348  HA3 GLY A  22       2.693  11.186   2.286  1.00  0.00           H  
ATOM    349  N   LYS A  23       0.770   8.608   2.818  1.00  0.00           N  
ATOM    350  CA  LYS A  23      -0.478   8.169   3.419  1.00  0.00           C  
ATOM    351  C   LYS A  23      -0.193   7.555   4.791  1.00  0.00           C  
ATOM    352  O   LYS A  23       0.950   7.213   5.096  1.00  0.00           O  
ATOM    353  CB  LYS A  23      -1.229   7.232   2.471  1.00  0.00           C  
ATOM    354  CG  LYS A  23      -1.677   7.972   1.209  1.00  0.00           C  
ATOM    355  CD  LYS A  23      -3.175   8.280   1.258  1.00  0.00           C  
ATOM    356  CE  LYS A  23      -3.589   9.176   0.088  1.00  0.00           C  
ATOM    357  NZ  LYS A  23      -5.038   9.472   0.149  1.00  0.00           N  
ATOM    358  H   LYS A  23       1.165   7.974   2.155  1.00  0.00           H  
ATOM    359  HA  LYS A  23      -1.102   9.052   3.559  1.00  0.00           H  
ATOM    360  HB2 LYS A  23      -0.586   6.395   2.196  1.00  0.00           H  
ATOM    361  HB3 LYS A  23      -2.098   6.813   2.979  1.00  0.00           H  
ATOM    362  HG2 LYS A  23      -1.114   8.900   1.109  1.00  0.00           H  
ATOM    363  HG3 LYS A  23      -1.455   7.367   0.330  1.00  0.00           H  
ATOM    364  HD2 LYS A  23      -3.743   7.350   1.227  1.00  0.00           H  
ATOM    365  HD3 LYS A  23      -3.419   8.772   2.199  1.00  0.00           H  
ATOM    366  HE2 LYS A  23      -3.020  10.106   0.115  1.00  0.00           H  
ATOM    367  HE3 LYS A  23      -3.351   8.685  -0.855  1.00  0.00           H  
ATOM    368  HZ1 LYS A  23      -5.244   9.949   1.003  1.00  0.00           H  
ATOM    369  HZ2 LYS A  23      -5.292  10.051  -0.626  1.00  0.00           H  
ATOM    370  HZ3 LYS A  23      -5.554   8.617   0.110  1.00  0.00           H  
ATOM    371  N   THR A  24      -1.248   7.434   5.582  1.00  0.00           N  
ATOM    372  CA  THR A  24      -1.102   7.021   6.968  1.00  0.00           C  
ATOM    373  C   THR A  24      -0.834   5.517   7.051  1.00  0.00           C  
ATOM    374  O   THR A  24      -0.053   5.067   7.887  1.00  0.00           O  
ATOM    375  CB  THR A  24      -2.358   7.457   7.726  1.00  0.00           C  
ATOM    376  OG1 THR A  24      -3.427   7.140   6.839  1.00  0.00           O  
ATOM    377  CG2 THR A  24      -2.446   8.977   7.887  1.00  0.00           C  
ATOM    378  H   THR A  24      -2.188   7.612   5.291  1.00  0.00           H  
ATOM    379  HA  THR A  24      -0.231   7.525   7.386  1.00  0.00           H  
ATOM    380  HB  THR A  24      -2.421   6.959   8.693  1.00  0.00           H  
ATOM    381  HG1 THR A  24      -4.292   7.118   7.339  1.00  0.00           H  
ATOM    382 HG21 THR A  24      -1.573   9.335   8.432  1.00  0.00           H  
ATOM    383 HG22 THR A  24      -2.478   9.445   6.903  1.00  0.00           H  
ATOM    384 HG23 THR A  24      -3.349   9.231   8.440  1.00  0.00           H  
ATOM    385  N   ASN A  25      -1.497   4.781   6.171  1.00  0.00           N  
ATOM    386  CA  ASN A  25      -1.405   3.331   6.187  1.00  0.00           C  
ATOM    387  C   ASN A  25      -1.790   2.784   4.812  1.00  0.00           C  
ATOM    388  O   ASN A  25      -2.428   3.475   4.021  1.00  0.00           O  
ATOM    389  CB  ASN A  25      -2.363   2.731   7.219  1.00  0.00           C  
ATOM    390  CG  ASN A  25      -2.052   1.253   7.461  1.00  0.00           C  
ATOM    391  OD1 ASN A  25      -0.961   0.770   7.201  1.00  0.00           O  
ATOM    392  ND2 ASN A  25      -3.067   0.563   7.971  1.00  0.00           N  
ATOM    393  H   ASN A  25      -2.087   5.158   5.457  1.00  0.00           H  
ATOM    394  HA  ASN A  25      -0.370   3.113   6.449  1.00  0.00           H  
ATOM    395  HB2 ASN A  25      -2.284   3.281   8.157  1.00  0.00           H  
ATOM    396  HB3 ASN A  25      -3.391   2.838   6.873  1.00  0.00           H  
ATOM    397 HD21 ASN A  25      -3.930   1.024   8.182  1.00  0.00           H  
ATOM    398 HD22 ASN A  25      -2.969  -0.418   8.144  1.00  0.00           H  
ATOM    399  N   GLY A  26      -1.384   1.546   4.568  1.00  0.00           N  
ATOM    400  CA  GLY A  26      -1.767   0.860   3.346  1.00  0.00           C  
ATOM    401  C   GLY A  26      -2.063  -0.616   3.616  1.00  0.00           C  
ATOM    402  O   GLY A  26      -1.625  -1.167   4.626  1.00  0.00           O  
ATOM    403  H   GLY A  26      -0.805   1.015   5.187  1.00  0.00           H  
ATOM    404  HA2 GLY A  26      -2.647   1.338   2.916  1.00  0.00           H  
ATOM    405  HA3 GLY A  26      -0.967   0.945   2.611  1.00  0.00           H  
ATOM    406  N   ARG A  27      -2.804  -1.217   2.696  1.00  0.00           N  
ATOM    407  CA  ARG A  27      -3.218  -2.600   2.854  1.00  0.00           C  
ATOM    408  C   ARG A  27      -3.312  -3.286   1.488  1.00  0.00           C  
ATOM    409  O   ARG A  27      -3.745  -2.676   0.513  1.00  0.00           O  
ATOM    410  CB  ARG A  27      -4.573  -2.694   3.558  1.00  0.00           C  
ATOM    411  CG  ARG A  27      -4.903  -4.142   3.923  1.00  0.00           C  
ATOM    412  CD  ARG A  27      -6.168  -4.217   4.780  1.00  0.00           C  
ATOM    413  NE  ARG A  27      -6.433  -5.620   5.170  1.00  0.00           N  
ATOM    414  CZ  ARG A  27      -5.845  -6.236   6.203  1.00  0.00           C  
ATOM    415  NH1 ARG A  27      -4.887  -5.609   6.901  1.00  0.00           N  
ATOM    416  NH2 ARG A  27      -6.213  -7.480   6.539  1.00  0.00           N  
ATOM    417  H   ARG A  27      -3.119  -0.774   1.857  1.00  0.00           H  
ATOM    418  HA  ARG A  27      -2.441  -3.056   3.468  1.00  0.00           H  
ATOM    419  HB2 ARG A  27      -4.561  -2.081   4.459  1.00  0.00           H  
ATOM    420  HB3 ARG A  27      -5.352  -2.291   2.910  1.00  0.00           H  
ATOM    421  HG2 ARG A  27      -5.039  -4.728   3.014  1.00  0.00           H  
ATOM    422  HG3 ARG A  27      -4.066  -4.584   4.464  1.00  0.00           H  
ATOM    423  HD2 ARG A  27      -6.052  -3.599   5.670  1.00  0.00           H  
ATOM    424  HD3 ARG A  27      -7.017  -3.818   4.225  1.00  0.00           H  
ATOM    425  HE  ARG A  27      -7.093  -6.140   4.628  1.00  0.00           H  
ATOM    426 HH11 ARG A  27      -4.587  -4.695   6.628  1.00  0.00           H  
ATOM    427 HH12 ARG A  27      -4.475  -6.053   7.696  1.00  0.00           H  
ATOM    428 HH21 ARG A  27      -6.926  -7.948   6.020  1.00  0.00           H  
ATOM    429 HH22 ARG A  27      -5.771  -7.940   7.311  1.00  0.00           H  
ATOM    430  N   CYS A  28      -2.899  -4.544   1.464  1.00  0.00           N  
ATOM    431  CA  CYS A  28      -2.826  -5.284   0.215  1.00  0.00           C  
ATOM    432  C   CYS A  28      -4.217  -5.838  -0.097  1.00  0.00           C  
ATOM    433  O   CYS A  28      -4.618  -6.864   0.449  1.00  0.00           O  
ATOM    434  CB  CYS A  28      -1.770  -6.390   0.274  1.00  0.00           C  
ATOM    435  SG  CYS A  28      -1.287  -7.076  -1.352  1.00  0.00           S  
ATOM    436  H   CYS A  28      -2.617  -5.056   2.275  1.00  0.00           H  
ATOM    437  HA  CYS A  28      -2.511  -4.574  -0.550  1.00  0.00           H  
ATOM    438  HB2 CYS A  28      -0.881  -5.998   0.767  1.00  0.00           H  
ATOM    439  HB3 CYS A  28      -2.149  -7.201   0.895  1.00  0.00           H  
ATOM    440  N   VAL A  29      -4.916  -5.133  -0.975  1.00  0.00           N  
ATOM    441  CA  VAL A  29      -6.258  -5.537  -1.361  1.00  0.00           C  
ATOM    442  C   VAL A  29      -6.190  -6.340  -2.661  1.00  0.00           C  
ATOM    443  O   VAL A  29      -5.864  -5.796  -3.715  1.00  0.00           O  
ATOM    444  CB  VAL A  29      -7.165  -4.309  -1.463  1.00  0.00           C  
ATOM    445  CG1 VAL A  29      -8.550  -4.694  -1.988  1.00  0.00           C  
ATOM    446  CG2 VAL A  29      -7.268  -3.589  -0.117  1.00  0.00           C  
ATOM    447  H   VAL A  29      -4.581  -4.302  -1.419  1.00  0.00           H  
ATOM    448  HA  VAL A  29      -6.647  -6.179  -0.572  1.00  0.00           H  
ATOM    449  HB  VAL A  29      -6.716  -3.619  -2.178  1.00  0.00           H  
ATOM    450 HG11 VAL A  29      -8.953  -5.508  -1.385  1.00  0.00           H  
ATOM    451 HG12 VAL A  29      -9.214  -3.832  -1.924  1.00  0.00           H  
ATOM    452 HG13 VAL A  29      -8.469  -5.014  -3.025  1.00  0.00           H  
ATOM    453 HG21 VAL A  29      -7.679  -4.270   0.628  1.00  0.00           H  
ATOM    454 HG22 VAL A  29      -6.276  -3.263   0.198  1.00  0.00           H  
ATOM    455 HG23 VAL A  29      -7.921  -2.723  -0.217  1.00  0.00           H  
ATOM    456  N   ASN A  30      -6.503  -7.623  -2.544  1.00  0.00           N  
ATOM    457  CA  ASN A  30      -6.633  -8.471  -3.717  1.00  0.00           C  
ATOM    458  C   ASN A  30      -5.318  -8.459  -4.498  1.00  0.00           C  
ATOM    459  O   ASN A  30      -5.322  -8.496  -5.728  1.00  0.00           O  
ATOM    460  CB  ASN A  30      -7.738  -7.963  -4.644  1.00  0.00           C  
ATOM    461  CG  ASN A  30      -9.059  -7.805  -3.888  1.00  0.00           C  
ATOM    462  OD1 ASN A  30      -9.266  -8.364  -2.824  1.00  0.00           O  
ATOM    463  ND2 ASN A  30      -9.939  -7.014  -4.496  1.00  0.00           N  
ATOM    464  H   ASN A  30      -6.666  -8.081  -1.671  1.00  0.00           H  
ATOM    465  HA  ASN A  30      -6.879  -9.459  -3.329  1.00  0.00           H  
ATOM    466  HB2 ASN A  30      -7.445  -7.006  -5.076  1.00  0.00           H  
ATOM    467  HB3 ASN A  30      -7.870  -8.659  -5.473  1.00  0.00           H  
ATOM    468 HD21 ASN A  30      -9.711  -6.595  -5.375  1.00  0.00           H  
ATOM    469 HD22 ASN A  30     -10.828  -6.838  -4.073  1.00  0.00           H  
ATOM    470  N   GLY A  31      -4.223  -8.408  -3.752  1.00  0.00           N  
ATOM    471  CA  GLY A  31      -2.908  -8.602  -4.338  1.00  0.00           C  
ATOM    472  C   GLY A  31      -2.353  -7.286  -4.887  1.00  0.00           C  
ATOM    473  O   GLY A  31      -1.322  -7.275  -5.558  1.00  0.00           O  
ATOM    474  H   GLY A  31      -4.226  -8.237  -2.767  1.00  0.00           H  
ATOM    475  HA2 GLY A  31      -2.227  -9.002  -3.588  1.00  0.00           H  
ATOM    476  HA3 GLY A  31      -2.968  -9.338  -5.140  1.00  0.00           H  
ATOM    477  N   PHE A  32      -3.061  -6.208  -4.581  1.00  0.00           N  
ATOM    478  CA  PHE A  32      -2.633  -4.886  -5.005  1.00  0.00           C  
ATOM    479  C   PHE A  32      -2.843  -3.859  -3.891  1.00  0.00           C  
ATOM    480  O   PHE A  32      -3.826  -3.927  -3.155  1.00  0.00           O  
ATOM    481  CB  PHE A  32      -3.497  -4.500  -6.208  1.00  0.00           C  
ATOM    482  CG  PHE A  32      -3.253  -5.360  -7.450  1.00  0.00           C  
ATOM    483  CD1 PHE A  32      -2.099  -5.221  -8.157  1.00  0.00           C  
ATOM    484  CD2 PHE A  32      -4.190  -6.263  -7.847  1.00  0.00           C  
ATOM    485  CE1 PHE A  32      -1.873  -6.018  -9.310  1.00  0.00           C  
ATOM    486  CE2 PHE A  32      -3.963  -7.060  -9.001  1.00  0.00           C  
ATOM    487  CZ  PHE A  32      -2.809  -6.921  -9.707  1.00  0.00           C  
ATOM    488  H   PHE A  32      -3.912  -6.229  -4.055  1.00  0.00           H  
ATOM    489  HA  PHE A  32      -1.571  -4.951  -5.243  1.00  0.00           H  
ATOM    490  HB2 PHE A  32      -4.548  -4.576  -5.926  1.00  0.00           H  
ATOM    491  HB3 PHE A  32      -3.308  -3.457  -6.458  1.00  0.00           H  
ATOM    492  HD1 PHE A  32      -1.349  -4.498  -7.839  1.00  0.00           H  
ATOM    493  HD2 PHE A  32      -5.114  -6.373  -7.280  1.00  0.00           H  
ATOM    494  HE1 PHE A  32      -0.948  -5.907  -9.877  1.00  0.00           H  
ATOM    495  HE2 PHE A  32      -4.714  -7.783  -9.319  1.00  0.00           H  
ATOM    496  HZ  PHE A  32      -2.635  -7.532 -10.592  1.00  0.00           H  
ATOM    497  N   CYS A  33      -1.902  -2.929  -3.802  1.00  0.00           N  
ATOM    498  CA  CYS A  33      -1.839  -2.035  -2.658  1.00  0.00           C  
ATOM    499  C   CYS A  33      -3.016  -1.063  -2.743  1.00  0.00           C  
ATOM    500  O   CYS A  33      -3.360  -0.591  -3.825  1.00  0.00           O  
ATOM    501  CB  CYS A  33      -0.498  -1.303  -2.586  1.00  0.00           C  
ATOM    502  SG  CYS A  33       0.956  -2.385  -2.338  1.00  0.00           S  
ATOM    503  H   CYS A  33      -1.193  -2.783  -4.493  1.00  0.00           H  
ATOM    504  HA  CYS A  33      -1.915  -2.660  -1.768  1.00  0.00           H  
ATOM    505  HB2 CYS A  33      -0.359  -0.738  -3.508  1.00  0.00           H  
ATOM    506  HB3 CYS A  33      -0.538  -0.579  -1.772  1.00  0.00           H  
ATOM    507  N   ASP A  34      -3.605  -0.793  -1.586  1.00  0.00           N  
ATOM    508  CA  ASP A  34      -4.551   0.302  -1.465  1.00  0.00           C  
ATOM    509  C   ASP A  34      -4.130   1.209  -0.306  1.00  0.00           C  
ATOM    510  O   ASP A  34      -3.936   0.740   0.815  1.00  0.00           O  
ATOM    511  CB  ASP A  34      -5.959  -0.216  -1.173  1.00  0.00           C  
ATOM    512  CG  ASP A  34      -7.053   0.854  -1.164  1.00  0.00           C  
ATOM    513  OD1 ASP A  34      -7.936   0.872  -2.035  1.00  0.00           O  
ATOM    514  OD2 ASP A  34      -6.975   1.706  -0.199  1.00  0.00           O  
ATOM    515  H   ASP A  34      -3.443  -1.307  -0.744  1.00  0.00           H  
ATOM    516  HA  ASP A  34      -4.520   0.815  -2.427  1.00  0.00           H  
ATOM    517  HB2 ASP A  34      -6.216  -0.970  -1.917  1.00  0.00           H  
ATOM    518  HB3 ASP A  34      -5.953  -0.715  -0.204  1.00  0.00           H  
ATOM    519  HD2 ASP A  34      -7.722   2.367  -0.264  1.00  0.00           H  
ATOM    520  N   CYS A  35      -4.001   2.491  -0.615  1.00  0.00           N  
ATOM    521  CA  CYS A  35      -3.409   3.431   0.322  1.00  0.00           C  
ATOM    522  C   CYS A  35      -4.518   4.342   0.853  1.00  0.00           C  
ATOM    523  O   CYS A  35      -5.416   4.732   0.108  1.00  0.00           O  
ATOM    524  CB  CYS A  35      -2.274   4.230  -0.320  1.00  0.00           C  
ATOM    525  SG  CYS A  35      -0.960   3.214  -1.090  1.00  0.00           S  
ATOM    526  H   CYS A  35      -4.293   2.887  -1.486  1.00  0.00           H  
ATOM    527  HA  CYS A  35      -2.976   2.838   1.128  1.00  0.00           H  
ATOM    528  HB2 CYS A  35      -2.696   4.889  -1.079  1.00  0.00           H  
ATOM    529  HB3 CYS A  35      -1.823   4.867   0.440  1.00  0.00           H  
ATOM    530  N   PHE A  36      -4.420   4.653   2.137  1.00  0.00           N  
ATOM    531  CA  PHE A  36      -5.420   5.484   2.784  1.00  0.00           C  
ATOM    532  C   PHE A  36      -4.872   6.099   4.074  1.00  0.00           C  
ATOM    533  O   PHE A  36      -3.861   5.639   4.603  1.00  0.00           O  
ATOM    534  CB  PHE A  36      -6.603   4.578   3.128  1.00  0.00           C  
ATOM    535  CG  PHE A  36      -6.217   3.327   3.921  1.00  0.00           C  
ATOM    536  CD1 PHE A  36      -5.864   2.189   3.266  1.00  0.00           C  
ATOM    537  CD2 PHE A  36      -6.228   3.354   5.281  1.00  0.00           C  
ATOM    538  CE1 PHE A  36      -5.507   1.028   4.002  1.00  0.00           C  
ATOM    539  CE2 PHE A  36      -5.870   2.193   6.016  1.00  0.00           C  
ATOM    540  CZ  PHE A  36      -5.518   1.054   5.361  1.00  0.00           C  
ATOM    541  OXT PHE A  36      -5.543   7.102   4.529  1.00  0.00           O  
ATOM    542  H   PHE A  36      -3.676   4.347   2.731  1.00  0.00           H  
ATOM    543  HA  PHE A  36      -5.678   6.281   2.086  1.00  0.00           H  
ATOM    544  HB2 PHE A  36      -7.331   5.149   3.703  1.00  0.00           H  
ATOM    545  HB3 PHE A  36      -7.094   4.273   2.205  1.00  0.00           H  
ATOM    546  HD1 PHE A  36      -5.856   2.167   2.176  1.00  0.00           H  
ATOM    547  HD2 PHE A  36      -6.511   4.265   5.806  1.00  0.00           H  
ATOM    548  HE1 PHE A  36      -5.224   0.116   3.477  1.00  0.00           H  
ATOM    549  HE2 PHE A  36      -5.879   2.214   7.106  1.00  0.00           H  
ATOM    550  HZ  PHE A  36      -5.242   0.164   5.926  1.00  0.00           H  
TER     551      PHE A  36                                                      
CONECT  114  435                                                                
CONECT  200  502                                                                
CONECT  260  525                                                                
CONECT  435  114                                                                
CONECT  502  200                                                                
CONECT  525  260                                                                
MASTER       88    0    0    2    3    0    0    6  283    1    6    3          
END