HEADER    CYTOTOXIN                               22-JUL-96   1KBS              
TITLE     SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 1 STRUCTURE                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CTX IV;                                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: CYTOTOXIN 4                                                 
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: NAJA ATRA;                                      
SOURCE   3 ORGANISM_COMMON: CHINESE COBRA;                                      
SOURCE   4 ORGANISM_TAXID: 8656                                                 
KEYWDS    VENOM, CYTOTOXIN, CARDIOTOXIN, MULTIGENE FAMILY                       
EXPDTA    SOLUTION NMR                                                          
AUTHOR    J.Y.JENG,T.K.S.KUMAR,G.JAYARAMAN,C.YU                                 
REVDAT   3   23-FEB-22 1KBS    1       REMARK                                   
REVDAT   2   24-FEB-09 1KBS    1       VERSN                                    
REVDAT   1   23-JUL-97 1KBS    0                                                
JRNL        AUTH   J.Y.JANG,T.KRISHNASWAMY,S.KUMAR,G.JAYARAMAN,P.W.YANG,C.YU    
JRNL        TITL   COMPARISON OF THE HEMOLYTIC ACTIVITY AND SOLUTION STRUCTURES 
JRNL        TITL 2 OF TWO SNAKE VENOM CARDIOTOXIN ANALOGUES WHICH ONLY DIFFER   
JRNL        TITL 3 IN THEIR N-TERMINAL AMINO ACID.                              
JRNL        REF    BIOCHEMISTRY                  V.  36 14635 1997              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   9398182                                                      
JRNL        DOI    10.1021/BI971107A                                            
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.S.PENG,T.K.S.KUMAR,G.JAYARAMAN,C.C.CHANG,C.YU              
REMARK   1  TITL   SOLUTION STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE    
REMARK   1  TITL 2 VENOM OF THE KING COBRA (OPHIOPHAGUS HANNAH)                 
REMARK   1  REF    J.BIOL.CHEM.                  V. 272  7817 1997              
REMARK   1  REFN                   ISSN 0021-9258                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1KBS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000174402.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL                               
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : NULL                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
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: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A   1   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.0 DEGREES          
REMARK 500    VAL A   7   CB  -  CA  -  C   ANGL. DEV. =  14.2 DEGREES          
REMARK 500    LEU A  20   CB  -  CA  -  C   ANGL. DEV. =  12.0 DEGREES          
REMARK 500    LEU A  20   CB  -  CG  -  CD2 ANGL. DEV. =  27.5 DEGREES          
REMARK 500    CYS A  21   CA  -  CB  -  SG  ANGL. DEV. =   8.4 DEGREES          
REMARK 500    ARG A  36   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.1 DEGREES          
REMARK 500    ARG A  58   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500    CYS A  59   CB  -  CA  -  C   ANGL. DEV. =  11.4 DEGREES          
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    LEU A   6      -60.35   -134.96                                   
REMARK 500    VAL A   7     -148.23   -121.12                                   
REMARK 500    PRO A  15     -133.56    -80.39                                   
REMARK 500    ASN A  19      -76.75    -95.08                                   
REMARK 500    LEU A  20     -155.50   -107.81                                   
REMARK 500    THR A  31     -155.19   -113.42                                   
REMARK 500    VAL A  32      -52.11   -173.59                                   
REMARK 500    VAL A  34      -70.20   -154.36                                   
REMARK 500    PRO A  43     -117.47    -82.61                                   
REMARK 500    LYS A  44     -167.58   -108.48                                   
REMARK 500    VAL A  52       76.31   -104.82                                   
REMARK 500    ASP A  57      -28.09    -39.30                                   
REMARK 500    CYS A  59      -80.17   -150.82                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A   1         0.32    SIDE CHAIN                              
REMARK 500    TYR A  11         0.07    SIDE CHAIN                              
REMARK 500    PHE A  25         0.09    SIDE CHAIN                              
REMARK 500    ARG A  36         0.08    SIDE CHAIN                              
REMARK 500    ARG A  58         0.08    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1KBT   RELATED DB: PDB                                   
DBREF  1KBS A    1    60  UNP    P01443   CTX4_NAJAT      22     81             
SEQRES   1 A   60  ARG LYS CYS ASN LYS LEU VAL PRO LEU PHE TYR LYS THR          
SEQRES   2 A   60  CYS PRO ALA GLY LYS ASN LEU CYS TYR LYS MET PHE MET          
SEQRES   3 A   60  VAL SER ASN LEU THR VAL PRO VAL LYS ARG GLY CYS ILE          
SEQRES   4 A   60  ASP VAL CYS PRO LYS ASN SER ALA LEU VAL LYS TYR VAL          
SEQRES   5 A   60  CYS CYS ASN THR ASP ARG CYS ASN                              
SHEET    1  S1 2 LYS A   2  LYS A   5  0                                        
SHEET    2  S1 2 TYR A  11  CYS A  14 -1                                        
SHEET    1  S2 3 VAL A  34  ILE A  39  0                                        
SHEET    2  S2 3 LEU A  20  PHE A  25 -1                                        
SHEET    3  S2 3 LYS A  50  ASN A  55 -1                                        
SSBOND   1 CYS A    3    CYS A   21                          1555   1555  2.01  
SSBOND   2 CYS A   14    CYS A   38                          1555   1555  2.01  
SSBOND   3 CYS A   42    CYS A   53                          1555   1555  2.03  
SSBOND   4 CYS A   54    CYS A   59                          1555   1555  2.04  
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     -11.203  -6.675   6.332  1.00  2.44           N  
ATOM      2  CA  ARG A   1     -11.671  -5.409   5.773  1.00  2.58           C  
ATOM      3  C   ARG A   1     -11.023  -5.159   4.409  1.00  2.36           C  
ATOM      4  O   ARG A   1     -10.929  -6.055   3.597  1.00  2.35           O  
ATOM      5  CB  ARG A   1     -11.657  -4.245   6.822  1.00  2.99           C  
ATOM      6  CG  ARG A   1     -12.614  -4.622   7.971  1.00  3.18           C  
ATOM      7  CD  ARG A   1     -12.424  -4.063   9.407  1.00  3.01           C  
ATOM      8  NE  ARG A   1     -11.097  -4.090  10.049  1.00  2.86           N  
ATOM      9  CZ  ARG A   1     -11.018  -3.710  11.360  1.00  2.97           C  
ATOM     10  NH1 ARG A   1     -10.898  -2.403  11.701  1.00  3.39           N  
ATOM     11  NH2 ARG A   1     -11.029  -4.703  12.271  1.00  3.14           N  
ATOM     12  H1  ARG A   1     -10.305  -7.033   5.950  1.00  2.73           H  
ATOM     13  H2  ARG A   1     -11.085  -6.675   7.362  1.00  2.61           H  
ATOM     14  H3  ARG A   1     -11.917  -7.338   5.948  1.00  2.62           H  
ATOM     15  HA  ARG A   1     -12.708  -5.636   5.527  1.00  2.91           H  
ATOM     16  HB2 ARG A   1     -10.672  -4.080   7.268  1.00  3.34           H  
ATOM     17  HB3 ARG A   1     -12.006  -3.314   6.345  1.00  3.32           H  
ATOM     18  HG2 ARG A   1     -13.581  -4.219   7.695  1.00  3.39           H  
ATOM     19  HG3 ARG A   1     -12.744  -5.709   8.018  1.00  3.73           H  
ATOM     20  HD2 ARG A   1     -12.783  -3.031   9.500  1.00  3.26           H  
ATOM     21  HD3 ARG A   1     -13.027  -4.723  10.033  1.00  3.12           H  
ATOM     22  HE  ARG A   1     -10.188  -4.097   9.579  1.00  2.80           H  
ATOM     23 HH11 ARG A   1     -11.173  -1.679  11.067  1.00  3.72           H  
ATOM     24 HH12 ARG A   1     -10.512  -2.105  12.574  1.00  3.63           H  
ATOM     25 HH21 ARG A   1     -10.868  -5.648  11.948  1.00  3.42           H  
ATOM     26 HH22 ARG A   1     -11.180  -4.594  13.269  1.00  3.28           H  
ATOM     27  N   LYS A   2     -10.679  -3.891   4.237  1.00  2.25           N  
ATOM     28  CA  LYS A   2     -10.429  -3.267   2.962  1.00  2.09           C  
ATOM     29  C   LYS A   2      -9.569  -2.070   3.274  1.00  1.96           C  
ATOM     30  O   LYS A   2      -9.261  -1.794   4.420  1.00  2.01           O  
ATOM     31  CB  LYS A   2     -11.772  -2.836   2.331  1.00  2.18           C  
ATOM     32  CG  LYS A   2     -12.862  -2.268   3.258  1.00  2.55           C  
ATOM     33  CD  LYS A   2     -14.136  -3.111   3.208  1.00  2.69           C  
ATOM     34  CE  LYS A   2     -15.193  -2.707   4.241  1.00  3.20           C  
ATOM     35  NZ  LYS A   2     -16.446  -3.454   4.122  1.00  3.27           N  
ATOM     36  H   LYS A   2     -10.481  -3.345   5.043  1.00  2.31           H  
ATOM     37  HA  LYS A   2      -9.847  -3.945   2.328  1.00  2.07           H  
ATOM     38  HB2 LYS A   2     -11.583  -2.004   1.654  1.00  2.23           H  
ATOM     39  HB3 LYS A   2     -12.161  -3.688   1.754  1.00  2.23           H  
ATOM     40  HG2 LYS A   2     -12.472  -2.135   4.266  1.00  2.92           H  
ATOM     41  HG3 LYS A   2     -13.116  -1.263   2.896  1.00  2.84           H  
ATOM     42  HD2 LYS A   2     -14.544  -3.040   2.204  1.00  2.80           H  
ATOM     43  HD3 LYS A   2     -13.869  -4.154   3.364  1.00  2.77           H  
ATOM     44  HE2 LYS A   2     -14.807  -2.903   5.247  1.00  3.45           H  
ATOM     45  HE3 LYS A   2     -15.430  -1.638   4.214  1.00  3.73           H  
ATOM     46  HZ1 LYS A   2     -16.289  -4.435   3.807  1.00  3.46           H  
ATOM     47  HZ2 LYS A   2     -16.903  -3.458   5.049  1.00  3.61           H  
ATOM     48  HZ3 LYS A   2     -17.092  -2.993   3.431  1.00  3.35           H  
ATOM     49  N   CYS A   3      -9.181  -1.388   2.190  1.00  1.84           N  
ATOM     50  CA  CYS A   3      -8.235  -0.299   2.272  1.00  1.74           C  
ATOM     51  C   CYS A   3      -8.817   1.013   1.878  1.00  1.84           C  
ATOM     52  O   CYS A   3      -8.765   1.424   0.735  1.00  1.84           O  
ATOM     53  CB  CYS A   3      -7.062  -0.563   1.364  1.00  1.55           C  
ATOM     54  SG  CYS A   3      -6.837  -2.281   1.026  1.00  1.84           S  
ATOM     55  H   CYS A   3      -9.527  -1.635   1.285  1.00  1.84           H  
ATOM     56  HA  CYS A   3      -7.963  -0.197   3.296  1.00  1.79           H  
ATOM     57  HB2 CYS A   3      -7.143  -0.116   0.378  1.00  1.71           H  
ATOM     58  HB3 CYS A   3      -6.179  -0.161   1.834  1.00  1.52           H  
ATOM     59  N   ASN A   4      -9.322   1.715   2.895  1.00  2.00           N  
ATOM     60  CA  ASN A   4     -10.131   2.881   2.574  1.00  2.13           C  
ATOM     61  C   ASN A   4      -9.252   4.058   2.085  1.00  1.84           C  
ATOM     62  O   ASN A   4      -9.704   5.185   2.094  1.00  1.81           O  
ATOM     63  CB  ASN A   4     -10.944   3.329   3.806  1.00  2.45           C  
ATOM     64  CG  ASN A   4     -11.924   2.234   4.286  1.00  2.64           C  
ATOM     65  OD1 ASN A   4     -11.821   1.077   3.894  1.00  3.09           O  
ATOM     66  ND2 ASN A   4     -12.832   2.652   5.174  1.00  2.75           N  
ATOM     67  H   ASN A   4      -9.277   1.341   3.821  1.00  2.09           H  
ATOM     68  HA  ASN A   4     -10.812   2.590   1.770  1.00  2.25           H  
ATOM     69  HB2 ASN A   4     -10.285   3.591   4.633  1.00  2.49           H  
ATOM     70  HB3 ASN A   4     -11.497   4.237   3.561  1.00  2.63           H  
ATOM     71 HD21 ASN A   4     -13.026   3.566   5.521  1.00  2.98           H  
ATOM     72 HD22 ASN A   4     -13.380   1.897   5.555  1.00  2.88           H  
ATOM     73  N   LYS A   5      -7.982   3.754   1.736  1.00  1.68           N  
ATOM     74  CA  LYS A   5      -6.960   4.680   1.283  1.00  1.45           C  
ATOM     75  C   LYS A   5      -6.144   3.868   0.277  1.00  1.37           C  
ATOM     76  O   LYS A   5      -5.983   2.675   0.446  1.00  1.81           O  
ATOM     77  CB  LYS A   5      -5.999   5.058   2.434  1.00  1.38           C  
ATOM     78  CG  LYS A   5      -6.216   6.477   3.012  1.00  1.49           C  
ATOM     79  CD  LYS A   5      -7.665   6.858   3.406  1.00  1.87           C  
ATOM     80  CE  LYS A   5      -7.709   8.126   4.327  1.00  2.14           C  
ATOM     81  NZ  LYS A   5      -8.958   8.849   4.702  1.00  2.53           N  
ATOM     82  H   LYS A   5      -7.717   2.815   1.513  1.00  1.73           H  
ATOM     83  HA  LYS A   5      -7.431   5.541   0.816  1.00  1.48           H  
ATOM     84  HB2 LYS A   5      -6.023   4.265   3.183  1.00  1.51           H  
ATOM     85  HB3 LYS A   5      -4.971   5.042   2.065  1.00  1.33           H  
ATOM     86  HG2 LYS A   5      -5.540   6.632   3.850  1.00  1.79           H  
ATOM     87  HG3 LYS A   5      -5.892   7.196   2.261  1.00  2.04           H  
ATOM     88  HD2 LYS A   5      -8.153   7.008   2.440  1.00  2.34           H  
ATOM     89  HD3 LYS A   5      -8.155   5.990   3.856  1.00  2.19           H  
ATOM     90  HE2 LYS A   5      -7.225   7.873   5.265  1.00  2.48           H  
ATOM     91  HE3 LYS A   5      -7.092   8.881   3.846  1.00  2.39           H  
ATOM     92  HZ1 LYS A   5      -9.639   8.249   5.199  1.00  2.74           H  
ATOM     93  HZ2 LYS A   5      -8.709   9.639   5.330  1.00  2.74           H  
ATOM     94  HZ3 LYS A   5      -9.455   9.289   3.905  1.00  3.12           H  
ATOM     95  N   LEU A   6      -5.558   4.579  -0.704  1.00  1.26           N  
ATOM     96  CA  LEU A   6      -4.468   4.009  -1.506  1.00  1.14           C  
ATOM     97  C   LEU A   6      -3.382   5.069  -1.617  1.00  0.98           C  
ATOM     98  O   LEU A   6      -2.237   4.931  -1.188  1.00  1.08           O  
ATOM     99  CB  LEU A   6      -4.969   3.460  -2.856  1.00  1.22           C  
ATOM    100  CG  LEU A   6      -5.677   2.099  -2.681  1.00  1.47           C  
ATOM    101  CD1 LEU A   6      -7.183   2.237  -2.367  1.00  1.73           C  
ATOM    102  CD2 LEU A   6      -5.375   1.141  -3.848  1.00  1.64           C  
ATOM    103  H   LEU A   6      -5.961   5.482  -0.896  1.00  1.60           H  
ATOM    104  HA  LEU A   6      -3.996   3.216  -0.939  1.00  1.16           H  
ATOM    105  HB2 LEU A   6      -5.635   4.161  -3.330  1.00  1.35           H  
ATOM    106  HB3 LEU A   6      -4.115   3.353  -3.525  1.00  1.33           H  
ATOM    107  HG  LEU A   6      -5.248   1.596  -1.812  1.00  1.71           H  
ATOM    108 HD11 LEU A   6      -7.376   3.102  -1.758  1.00  1.72           H  
ATOM    109 HD12 LEU A   6      -7.800   2.377  -3.251  1.00  2.05           H  
ATOM    110 HD13 LEU A   6      -7.544   1.389  -1.780  1.00  2.42           H  
ATOM    111 HD21 LEU A   6      -4.319   1.150  -4.107  1.00  2.11           H  
ATOM    112 HD22 LEU A   6      -5.666   0.118  -3.617  1.00  1.77           H  
ATOM    113 HD23 LEU A   6      -5.887   1.418  -4.766  1.00  2.05           H  
ATOM    114  N   VAL A   7      -3.877   6.138  -2.211  1.00  0.98           N  
ATOM    115  CA  VAL A   7      -3.066   7.250  -2.609  1.00  0.86           C  
ATOM    116  C   VAL A   7      -3.713   8.425  -1.817  1.00  1.03           C  
ATOM    117  O   VAL A   7      -4.212   8.131  -0.739  1.00  1.53           O  
ATOM    118  CB  VAL A   7      -2.944   7.159  -4.159  1.00  0.85           C  
ATOM    119  CG1 VAL A   7      -1.458   7.211  -4.508  1.00  0.79           C  
ATOM    120  CG2 VAL A   7      -3.548   5.915  -4.881  1.00  1.04           C  
ATOM    121  H   VAL A   7      -4.863   6.176  -2.360  1.00  1.19           H  
ATOM    122  HA  VAL A   7      -2.081   7.122  -2.157  1.00  0.79           H  
ATOM    123  HB  VAL A   7      -3.455   7.972  -4.646  1.00  1.20           H  
ATOM    124 HG11 VAL A   7      -0.933   6.382  -4.038  1.00  1.03           H  
ATOM    125 HG12 VAL A   7      -1.373   7.151  -5.592  1.00  1.52           H  
ATOM    126 HG13 VAL A   7      -0.960   8.128  -4.203  1.00  1.34           H  
ATOM    127 HG21 VAL A   7      -4.487   5.557  -4.495  1.00  1.58           H  
ATOM    128 HG22 VAL A   7      -3.707   6.121  -5.943  1.00  1.36           H  
ATOM    129 HG23 VAL A   7      -2.883   5.055  -4.837  1.00  1.60           H  
ATOM    130  N   PRO A   8      -3.744   9.710  -2.285  1.00  0.90           N  
ATOM    131  CA  PRO A   8      -4.194  10.793  -1.398  1.00  1.06           C  
ATOM    132  C   PRO A   8      -5.693  10.645  -1.055  1.00  1.14           C  
ATOM    133  O   PRO A   8      -6.130  10.903   0.060  1.00  1.50           O  
ATOM    134  CB  PRO A   8      -3.855  12.095  -2.165  1.00  1.37           C  
ATOM    135  CG  PRO A   8      -3.588  11.689  -3.614  1.00  1.57           C  
ATOM    136  CD  PRO A   8      -3.385  10.171  -3.620  1.00  1.17           C  
ATOM    137  HA  PRO A   8      -3.627  10.797  -0.464  1.00  1.38           H  
ATOM    138  HB2 PRO A   8      -4.612  12.878  -2.084  1.00  1.41           H  
ATOM    139  HB3 PRO A   8      -2.935  12.531  -1.772  1.00  1.73           H  
ATOM    140  HG2 PRO A   8      -4.462  11.951  -4.212  1.00  1.76           H  
ATOM    141  HG3 PRO A   8      -2.734  12.218  -4.039  1.00  2.01           H  
ATOM    142  HD2 PRO A   8      -4.082   9.778  -4.354  1.00  1.27           H  
ATOM    143  HD3 PRO A   8      -2.368   9.880  -3.886  1.00  1.40           H  
ATOM    144  N   LEU A   9      -6.428  10.168  -2.091  1.00  1.31           N  
ATOM    145  CA  LEU A   9      -7.901  10.310  -2.159  1.00  1.73           C  
ATOM    146  C   LEU A   9      -8.618   9.013  -2.653  1.00  1.71           C  
ATOM    147  O   LEU A   9      -9.828   8.968  -2.794  1.00  2.09           O  
ATOM    148  CB  LEU A   9      -8.208  11.559  -3.038  1.00  2.26           C  
ATOM    149  CG  LEU A   9      -8.502  11.326  -4.547  1.00  2.36           C  
ATOM    150  CD1 LEU A   9     -10.011  11.121  -4.820  1.00  2.65           C  
ATOM    151  CD2 LEU A   9      -7.884  12.417  -5.462  1.00  2.70           C  
ATOM    152  H   LEU A   9      -5.925   9.952  -2.922  1.00  1.41           H  
ATOM    153  HA  LEU A   9      -8.261  10.503  -1.139  1.00  1.87           H  
ATOM    154  HB2 LEU A   9      -9.036  12.111  -2.596  1.00  2.62           H  
ATOM    155  HB3 LEU A   9      -7.362  12.239  -2.949  1.00  2.44           H  
ATOM    156  HG  LEU A   9      -8.011  10.396  -4.858  1.00  2.17           H  
ATOM    157 HD11 LEU A   9     -10.620  11.171  -3.919  1.00  2.84           H  
ATOM    158 HD12 LEU A   9     -10.412  11.864  -5.508  1.00  3.04           H  
ATOM    159 HD13 LEU A   9     -10.191  10.150  -5.278  1.00  2.81           H  
ATOM    160 HD21 LEU A   9      -7.478  13.270  -4.919  1.00  2.84           H  
ATOM    161 HD22 LEU A   9      -7.074  11.999  -6.063  1.00  2.93           H  
ATOM    162 HD23 LEU A   9      -8.599  12.832  -6.172  1.00  3.05           H  
ATOM    163  N   PHE A  10      -7.800   7.977  -2.900  1.00  1.38           N  
ATOM    164  CA  PHE A  10      -8.281   6.736  -3.506  1.00  1.42           C  
ATOM    165  C   PHE A  10      -8.564   5.837  -2.323  1.00  1.46           C  
ATOM    166  O   PHE A  10      -7.950   6.011  -1.285  1.00  1.48           O  
ATOM    167  CB  PHE A  10      -7.145   6.084  -4.298  1.00  1.32           C  
ATOM    168  CG  PHE A  10      -6.817   6.815  -5.566  1.00  1.35           C  
ATOM    169  CD1 PHE A  10      -6.208   8.062  -5.514  1.00  1.74           C  
ATOM    170  CD2 PHE A  10      -7.114   6.245  -6.795  1.00  1.75           C  
ATOM    171  CE1 PHE A  10      -5.907   8.753  -6.680  1.00  1.82           C  
ATOM    172  CE2 PHE A  10      -6.822   6.933  -7.966  1.00  1.84           C  
ATOM    173  CZ  PHE A  10      -6.225   8.183  -7.902  1.00  1.56           C  
ATOM    174  H   PHE A  10      -6.922   7.980  -2.440  1.00  1.21           H  
ATOM    175  HA  PHE A  10      -9.171   6.907  -4.121  1.00  1.57           H  
ATOM    176  HB2 PHE A  10      -6.273   6.108  -3.653  1.00  1.26           H  
ATOM    177  HB3 PHE A  10      -7.344   5.028  -4.520  1.00  1.39           H  
ATOM    178  HD1 PHE A  10      -5.992   8.486  -4.553  1.00  2.33           H  
ATOM    179  HD2 PHE A  10      -7.574   5.269  -6.837  1.00  2.33           H  
ATOM    180  HE1 PHE A  10      -5.451   9.737  -6.693  1.00  2.43           H  
ATOM    181  HE2 PHE A  10      -7.061   6.528  -8.940  1.00  2.46           H  
ATOM    182  HZ  PHE A  10      -6.003   8.722  -8.819  1.00  1.69           H  
ATOM    183  N   TYR A  11      -9.497   4.907  -2.524  1.00  1.64           N  
ATOM    184  CA  TYR A  11      -9.983   4.027  -1.466  1.00  1.74           C  
ATOM    185  C   TYR A  11     -10.406   2.779  -2.237  1.00  1.87           C  
ATOM    186  O   TYR A  11     -10.764   2.906  -3.391  1.00  2.10           O  
ATOM    187  CB  TYR A  11     -11.115   4.754  -0.684  1.00  1.96           C  
ATOM    188  CG  TYR A  11     -12.193   5.222  -1.623  1.00  2.20           C  
ATOM    189  CD1 TYR A  11     -12.030   6.399  -2.340  1.00  2.60           C  
ATOM    190  CD2 TYR A  11     -13.322   4.447  -1.834  1.00  2.59           C  
ATOM    191  CE1 TYR A  11     -12.941   6.754  -3.325  1.00  2.85           C  
ATOM    192  CE2 TYR A  11     -14.241   4.798  -2.813  1.00  2.88           C  
ATOM    193  CZ  TYR A  11     -14.031   5.934  -3.571  1.00  2.79           C  
ATOM    194  OH  TYR A  11     -14.897   6.216  -4.606  1.00  3.13           O  
ATOM    195  H   TYR A  11      -9.974   4.813  -3.403  1.00  1.80           H  
ATOM    196  HA  TYR A  11      -9.164   3.779  -0.791  1.00  1.63           H  
ATOM    197  HB2 TYR A  11     -11.551   4.136   0.104  1.00  2.09           H  
ATOM    198  HB3 TYR A  11     -10.695   5.620  -0.168  1.00  1.90           H  
ATOM    199  HD1 TYR A  11     -11.175   7.023  -2.134  1.00  3.02           H  
ATOM    200  HD2 TYR A  11     -13.471   3.562  -1.237  1.00  3.00           H  
ATOM    201  HE1 TYR A  11     -12.811   7.644  -3.928  1.00  3.39           H  
ATOM    202  HE2 TYR A  11     -15.109   4.197  -3.035  1.00  3.44           H  
ATOM    203  HH  TYR A  11     -15.748   6.525  -4.304  1.00  3.18           H  
ATOM    204  N   LYS A  12     -10.267   1.601  -1.620  1.00  1.80           N  
ATOM    205  CA  LYS A  12     -10.676   0.332  -2.224  1.00  1.95           C  
ATOM    206  C   LYS A  12     -10.960  -0.653  -1.098  1.00  1.94           C  
ATOM    207  O   LYS A  12     -10.576  -0.524   0.061  1.00  1.90           O  
ATOM    208  CB  LYS A  12      -9.561  -0.356  -3.101  1.00  2.00           C  
ATOM    209  CG  LYS A  12      -9.643  -0.334  -4.636  1.00  2.28           C  
ATOM    210  CD  LYS A  12      -9.822   0.997  -5.371  1.00  2.14           C  
ATOM    211  CE  LYS A  12      -9.644   0.825  -6.901  1.00  2.36           C  
ATOM    212  NZ  LYS A  12     -10.769   1.287  -7.708  1.00  2.87           N  
ATOM    213  H   LYS A  12      -9.838   1.540  -0.720  1.00  1.72           H  
ATOM    214  HA  LYS A  12     -11.616   0.484  -2.758  1.00  2.15           H  
ATOM    215  HB2 LYS A  12      -8.580  -0.008  -2.792  1.00  1.85           H  
ATOM    216  HB3 LYS A  12      -9.529  -1.436  -2.902  1.00  2.15           H  
ATOM    217  HG2 LYS A  12      -8.717  -0.790  -4.976  1.00  2.62           H  
ATOM    218  HG3 LYS A  12     -10.439  -0.996  -4.942  1.00  2.88           H  
ATOM    219  HD2 LYS A  12     -10.782   1.459  -5.144  1.00  2.59           H  
ATOM    220  HD3 LYS A  12      -9.074   1.663  -4.952  1.00  2.22           H  
ATOM    221  HE2 LYS A  12      -8.746   1.299  -7.283  1.00  2.58           H  
ATOM    222  HE3 LYS A  12      -9.521  -0.223  -7.139  1.00  2.69           H  
ATOM    223  HZ1 LYS A  12     -11.149   2.213  -7.410  1.00  2.91           H  
ATOM    224  HZ2 LYS A  12     -10.505   1.343  -8.713  1.00  3.28           H  
ATOM    225  HZ3 LYS A  12     -11.515   0.574  -7.591  1.00  3.36           H  
ATOM    226  N   THR A  13     -11.572  -1.708  -1.648  1.00  2.04           N  
ATOM    227  CA  THR A  13     -11.799  -2.939  -0.961  1.00  2.10           C  
ATOM    228  C   THR A  13     -10.916  -3.992  -1.582  1.00  2.10           C  
ATOM    229  O   THR A  13     -10.437  -3.870  -2.708  1.00  2.30           O  
ATOM    230  CB  THR A  13     -13.303  -3.287  -0.911  1.00  2.27           C  
ATOM    231  OG1 THR A  13     -13.608  -4.205  -1.945  1.00  1.92           O  
ATOM    232  CG2 THR A  13     -14.205  -2.071  -1.165  1.00  3.03           C  
ATOM    233  H   THR A  13     -11.671  -1.754  -2.635  1.00  2.10           H  
ATOM    234  HA  THR A  13     -11.359  -2.828   0.000  1.00  2.09           H  
ATOM    235  HB  THR A  13     -13.541  -3.690   0.076  1.00  2.65           H  
ATOM    236  HG1 THR A  13     -14.285  -4.838  -1.708  1.00  2.20           H  
ATOM    237 HG21 THR A  13     -13.980  -1.230  -0.514  1.00  3.57           H  
ATOM    238 HG22 THR A  13     -14.127  -1.731  -2.197  1.00  3.25           H  
ATOM    239 HG23 THR A  13     -15.253  -2.325  -1.014  1.00  3.40           H  
ATOM    240  N   CYS A  14     -10.756  -4.996  -0.710  1.00  2.03           N  
ATOM    241  CA  CYS A  14     -10.132  -6.235  -1.078  1.00  2.02           C  
ATOM    242  C   CYS A  14     -11.252  -7.275  -1.067  1.00  2.28           C  
ATOM    243  O   CYS A  14     -12.339  -7.032  -0.544  1.00  2.55           O  
ATOM    244  CB  CYS A  14      -8.981  -6.525  -0.119  1.00  1.93           C  
ATOM    245  SG  CYS A  14      -7.563  -5.592  -0.718  1.00  1.82           S  
ATOM    246  H   CYS A  14     -11.327  -5.050   0.109  1.00  2.10           H  
ATOM    247  HA  CYS A  14      -9.725  -6.117  -2.083  1.00  1.98           H  
ATOM    248  HB2 CYS A  14      -9.197  -6.204   0.901  1.00  2.01           H  
ATOM    249  HB3 CYS A  14      -8.729  -7.584  -0.072  1.00  2.02           H  
ATOM    250  N   PRO A  15     -10.955  -8.409  -1.736  1.00  2.30           N  
ATOM    251  CA  PRO A  15     -11.799  -9.588  -1.647  1.00  2.56           C  
ATOM    252  C   PRO A  15     -11.460 -10.340  -0.319  1.00  2.52           C  
ATOM    253  O   PRO A  15     -11.344  -9.712   0.728  1.00  2.72           O  
ATOM    254  CB  PRO A  15     -11.456 -10.307  -2.965  1.00  2.67           C  
ATOM    255  CG  PRO A  15     -10.015  -9.908  -3.303  1.00  2.46           C  
ATOM    256  CD  PRO A  15      -9.814  -8.553  -2.635  1.00  2.20           C  
ATOM    257  HA  PRO A  15     -12.856  -9.311  -1.646  1.00  2.83           H  
ATOM    258  HB2 PRO A  15     -11.633 -11.380  -2.970  1.00  2.74           H  
ATOM    259  HB3 PRO A  15     -12.097  -9.890  -3.748  1.00  2.94           H  
ATOM    260  HG2 PRO A  15      -9.302 -10.614  -2.879  1.00  2.40           H  
ATOM    261  HG3 PRO A  15      -9.853  -9.841  -4.381  1.00  2.68           H  
ATOM    262  HD2 PRO A  15      -8.874  -8.511  -2.083  1.00  2.03           H  
ATOM    263  HD3 PRO A  15      -9.813  -7.761  -3.385  1.00  2.27           H  
ATOM    264  N   ALA A  16     -11.292 -11.685  -0.426  1.00  2.63           N  
ATOM    265  CA  ALA A  16     -11.211 -12.559   0.751  1.00  2.76           C  
ATOM    266  C   ALA A  16     -10.077 -13.597   0.578  1.00  2.61           C  
ATOM    267  O   ALA A  16     -10.066 -14.644   1.204  1.00  2.83           O  
ATOM    268  CB  ALA A  16     -12.580 -13.251   0.891  1.00  3.33           C  
ATOM    269  H   ALA A  16     -11.391 -12.195  -1.277  1.00  2.86           H  
ATOM    270  HA  ALA A  16     -11.013 -11.970   1.645  1.00  2.77           H  
ATOM    271  HB1 ALA A  16     -12.869 -13.751  -0.035  1.00  3.76           H  
ATOM    272  HB2 ALA A  16     -12.559 -14.013   1.665  1.00  3.66           H  
ATOM    273  HB3 ALA A  16     -13.359 -12.564   1.209  1.00  3.47           H  
ATOM    274  N   GLY A  17      -9.165 -13.251  -0.354  1.00  2.43           N  
ATOM    275  CA  GLY A  17      -7.994 -14.089  -0.631  1.00  2.46           C  
ATOM    276  C   GLY A  17      -6.727 -13.390  -0.127  1.00  2.30           C  
ATOM    277  O   GLY A  17      -5.611 -13.812  -0.386  1.00  2.40           O  
ATOM    278  H   GLY A  17      -9.153 -12.323  -0.717  1.00  2.43           H  
ATOM    279  HA2 GLY A  17      -8.106 -15.081  -0.195  1.00  2.60           H  
ATOM    280  HA3 GLY A  17      -7.929 -14.194  -1.714  1.00  2.63           H  
ATOM    281  N   LYS A  18      -6.983 -12.234   0.507  1.00  2.24           N  
ATOM    282  CA  LYS A  18      -5.917 -11.431   1.068  1.00  2.22           C  
ATOM    283  C   LYS A  18      -6.266 -10.978   2.473  1.00  2.40           C  
ATOM    284  O   LYS A  18      -7.405 -10.759   2.888  1.00  2.85           O  
ATOM    285  CB  LYS A  18      -5.567 -10.170   0.230  1.00  2.19           C  
ATOM    286  CG  LYS A  18      -4.503 -10.468  -0.849  1.00  2.59           C  
ATOM    287  CD  LYS A  18      -5.171 -10.883  -2.176  1.00  2.86           C  
ATOM    288  CE  LYS A  18      -4.193 -11.427  -3.246  1.00  3.41           C  
ATOM    289  NZ  LYS A  18      -4.624 -11.286  -4.659  1.00  3.89           N  
ATOM    290  H   LYS A  18      -7.910 -12.008   0.778  1.00  2.34           H  
ATOM    291  HA  LYS A  18      -5.036 -12.067   1.167  1.00  2.23           H  
ATOM    292  HB2 LYS A  18      -6.470  -9.714  -0.203  1.00  2.16           H  
ATOM    293  HB3 LYS A  18      -5.163  -9.401   0.899  1.00  2.29           H  
ATOM    294  HG2 LYS A  18      -3.809  -9.638  -0.983  1.00  3.01           H  
ATOM    295  HG3 LYS A  18      -3.856 -11.268  -0.474  1.00  2.94           H  
ATOM    296  HD2 LYS A  18      -5.915 -11.647  -1.953  1.00  2.94           H  
ATOM    297  HD3 LYS A  18      -5.733 -10.031  -2.554  1.00  3.28           H  
ATOM    298  HE2 LYS A  18      -3.250 -10.890  -3.153  1.00  3.55           H  
ATOM    299  HE3 LYS A  18      -3.952 -12.480  -3.058  1.00  3.89           H  
ATOM    300  HZ1 LYS A  18      -4.807 -10.298  -4.930  1.00  4.35           H  
ATOM    301  HZ2 LYS A  18      -3.852 -11.634  -5.272  1.00  4.06           H  
ATOM    302  HZ3 LYS A  18      -5.460 -11.872  -4.851  1.00  4.10           H  
ATOM    303  N   ASN A  19      -5.120 -10.800   3.110  1.00  2.23           N  
ATOM    304  CA  ASN A  19      -4.965 -10.468   4.497  1.00  2.44           C  
ATOM    305  C   ASN A  19      -4.823  -8.925   4.543  1.00  2.22           C  
ATOM    306  O   ASN A  19      -5.762  -8.268   4.897  1.00  2.47           O  
ATOM    307  CB  ASN A  19      -3.883 -11.402   5.107  1.00  2.76           C  
ATOM    308  CG  ASN A  19      -4.409 -12.869   5.209  1.00  3.12           C  
ATOM    309  OD1 ASN A  19      -5.453 -13.205   4.672  1.00  3.66           O  
ATOM    310  ND2 ASN A  19      -3.642 -13.734   5.911  1.00  3.25           N  
ATOM    311  H   ASN A  19      -4.294 -10.922   2.543  1.00  2.13           H  
ATOM    312  HA  ASN A  19      -5.908 -10.658   5.014  1.00  2.71           H  
ATOM    313  HB2 ASN A  19      -2.983 -11.435   4.486  1.00  2.78           H  
ATOM    314  HB3 ASN A  19      -3.594 -11.074   6.098  1.00  2.93           H  
ATOM    315 HD21 ASN A  19      -2.786 -13.482   6.392  1.00  3.26           H  
ATOM    316 HD22 ASN A  19      -3.887 -14.695   5.961  1.00  3.59           H  
ATOM    317  N   LEU A  20      -3.655  -8.344   4.194  1.00  1.88           N  
ATOM    318  CA  LEU A  20      -3.570  -6.925   4.562  1.00  1.77           C  
ATOM    319  C   LEU A  20      -3.672  -6.016   3.278  1.00  1.64           C  
ATOM    320  O   LEU A  20      -4.288  -6.400   2.324  1.00  1.64           O  
ATOM    321  CB  LEU A  20      -2.536  -6.690   5.632  1.00  1.78           C  
ATOM    322  CG  LEU A  20      -1.223  -7.520   5.837  1.00  1.87           C  
ATOM    323  CD1 LEU A  20      -0.304  -6.469   6.520  1.00  2.03           C  
ATOM    324  CD2 LEU A  20      -0.760  -9.110   5.937  1.00  2.42           C  
ATOM    325  H   LEU A  20      -3.212  -8.640   3.339  1.00  1.83           H  
ATOM    326  HA  LEU A  20      -4.419  -6.528   5.120  1.00  1.95           H  
ATOM    327  HB2 LEU A  20      -2.092  -5.876   5.118  1.00  2.14           H  
ATOM    328  HB3 LEU A  20      -2.837  -6.053   6.484  1.00  2.25           H  
ATOM    329  HG  LEU A  20      -1.070  -7.521   4.833  1.00  2.38           H  
ATOM    330 HD11 LEU A  20      -0.615  -5.494   6.265  1.00  2.58           H  
ATOM    331 HD12 LEU A  20      -0.220  -6.313   7.594  1.00  2.14           H  
ATOM    332 HD13 LEU A  20       0.688  -6.576   5.983  1.00  2.40           H  
ATOM    333 HD21 LEU A  20      -0.855  -9.515   6.989  1.00  2.78           H  
ATOM    334 HD22 LEU A  20       0.190  -8.918   5.328  1.00  2.91           H  
ATOM    335 HD23 LEU A  20       0.223  -9.485   6.236  1.00  2.69           H  
ATOM    336  N   CYS A  21      -3.118  -4.766   3.341  1.00  1.55           N  
ATOM    337  CA  CYS A  21      -3.061  -3.812   2.209  1.00  1.43           C  
ATOM    338  C   CYS A  21      -1.866  -2.999   2.576  1.00  1.35           C  
ATOM    339  O   CYS A  21      -1.544  -2.802   3.731  1.00  1.48           O  
ATOM    340  CB  CYS A  21      -4.309  -2.908   2.153  1.00  1.50           C  
ATOM    341  SG  CYS A  21      -4.871  -2.114   0.626  1.00  1.50           S  
ATOM    342  H   CYS A  21      -2.909  -4.423   4.241  1.00  1.57           H  
ATOM    343  HA  CYS A  21      -2.872  -4.274   1.249  1.00  1.38           H  
ATOM    344  HB2 CYS A  21      -5.137  -3.550   2.437  1.00  1.54           H  
ATOM    345  HB3 CYS A  21      -4.233  -2.110   2.890  1.00  1.58           H  
ATOM    346  N   TYR A  22      -1.197  -2.528   1.544  1.00  1.19           N  
ATOM    347  CA  TYR A  22       0.011  -1.787   1.768  1.00  1.12           C  
ATOM    348  C   TYR A  22       0.014  -0.778   0.673  1.00  0.99           C  
ATOM    349  O   TYR A  22      -0.412  -1.029  -0.439  1.00  1.05           O  
ATOM    350  CB  TYR A  22       1.267  -2.663   1.664  1.00  1.14           C  
ATOM    351  CG  TYR A  22       1.546  -2.947   0.230  1.00  1.09           C  
ATOM    352  CD1 TYR A  22       0.630  -3.662  -0.519  1.00  1.61           C  
ATOM    353  CD2 TYR A  22       2.662  -2.403  -0.378  1.00  1.60           C  
ATOM    354  CE1 TYR A  22       0.787  -3.826  -1.876  1.00  1.65           C  
ATOM    355  CE2 TYR A  22       2.830  -2.573  -1.738  1.00  1.55           C  
ATOM    356  CZ  TYR A  22       1.875  -3.257  -2.478  1.00  1.08           C  
ATOM    357  OH  TYR A  22       1.975  -3.358  -3.839  1.00  1.13           O  
ATOM    358  H   TYR A  22      -1.541  -2.791   0.642  1.00  1.16           H  
ATOM    359  HA  TYR A  22      -0.053  -1.302   2.737  1.00  1.17           H  
ATOM    360  HB2 TYR A  22       2.136  -2.180   2.119  1.00  1.16           H  
ATOM    361  HB3 TYR A  22       1.130  -3.594   2.193  1.00  1.22           H  
ATOM    362  HD1 TYR A  22      -0.232  -4.073  -0.030  1.00  2.37           H  
ATOM    363  HD2 TYR A  22       3.358  -1.841   0.235  1.00  2.39           H  
ATOM    364  HE1 TYR A  22       0.084  -4.389  -2.473  1.00  2.45           H  
ATOM    365  HE2 TYR A  22       3.706  -2.187  -2.232  1.00  2.30           H  
ATOM    366  HH  TYR A  22       2.318  -4.240  -3.985  1.00  1.54           H  
ATOM    367  N   LYS A  23       0.505   0.371   1.048  1.00  0.86           N  
ATOM    368  CA  LYS A  23       0.697   1.369   0.033  1.00  0.74           C  
ATOM    369  C   LYS A  23       2.131   1.186  -0.459  1.00  0.64           C  
ATOM    370  O   LYS A  23       3.056   1.225   0.344  1.00  0.63           O  
ATOM    371  CB  LYS A  23       0.403   2.736   0.623  1.00  0.73           C  
ATOM    372  CG  LYS A  23      -0.661   2.776   1.727  1.00  1.00           C  
ATOM    373  CD  LYS A  23      -0.727   4.208   2.230  1.00  1.21           C  
ATOM    374  CE  LYS A  23      -1.721   4.599   3.303  1.00  1.28           C  
ATOM    375  NZ  LYS A  23      -1.332   5.901   3.850  1.00  1.76           N  
ATOM    376  H   LYS A  23       0.952   0.386   1.943  1.00  0.90           H  
ATOM    377  HA  LYS A  23       0.006   1.217  -0.772  1.00  0.75           H  
ATOM    378  HB2 LYS A  23       1.340   3.115   0.982  1.00  0.89           H  
ATOM    379  HB3 LYS A  23       0.090   3.415  -0.165  1.00  0.82           H  
ATOM    380  HG2 LYS A  23      -1.604   2.479   1.283  1.00  1.16           H  
ATOM    381  HG3 LYS A  23      -0.412   2.079   2.528  1.00  1.40           H  
ATOM    382  HD2 LYS A  23       0.264   4.480   2.579  1.00  1.85           H  
ATOM    383  HD3 LYS A  23      -0.960   4.809   1.355  1.00  1.71           H  
ATOM    384  HE2 LYS A  23      -2.717   4.711   2.862  1.00  1.70           H  
ATOM    385  HE3 LYS A  23      -1.813   3.864   4.108  1.00  1.68           H  
ATOM    386  HZ1 LYS A  23      -1.194   6.584   3.076  1.00  2.15           H  
ATOM    387  HZ2 LYS A  23      -2.067   6.246   4.482  1.00  2.04           H  
ATOM    388  HZ3 LYS A  23      -0.428   5.841   4.372  1.00  2.25           H  
ATOM    389  N   MET A  24       2.253   0.964  -1.773  1.00  0.60           N  
ATOM    390  CA  MET A  24       3.567   0.949  -2.383  1.00  0.53           C  
ATOM    391  C   MET A  24       3.888   2.403  -2.774  1.00  0.40           C  
ATOM    392  O   MET A  24       3.194   2.989  -3.608  1.00  0.43           O  
ATOM    393  CB  MET A  24       3.526   0.087  -3.656  1.00  0.59           C  
ATOM    394  CG  MET A  24       4.918  -0.316  -4.160  1.00  1.01           C  
ATOM    395  SD  MET A  24       4.986  -0.171  -5.951  1.00  1.13           S  
ATOM    396  CE  MET A  24       5.572   1.521  -6.055  1.00  0.88           C  
ATOM    397  H   MET A  24       1.436   0.924  -2.347  1.00  0.65           H  
ATOM    398  HA  MET A  24       4.278   0.541  -1.657  1.00  0.55           H  
ATOM    399  HB2 MET A  24       2.918  -0.802  -3.537  1.00  0.88           H  
ATOM    400  HB3 MET A  24       2.984   0.609  -4.443  1.00  0.72           H  
ATOM    401  HG2 MET A  24       5.700   0.300  -3.719  1.00  1.34           H  
ATOM    402  HG3 MET A  24       5.164  -1.343  -3.888  1.00  1.47           H  
ATOM    403  HE1 MET A  24       4.922   2.188  -5.499  1.00  1.42           H  
ATOM    404  HE2 MET A  24       6.573   1.591  -5.635  1.00  1.33           H  
ATOM    405  HE3 MET A  24       5.596   1.836  -7.093  1.00  1.22           H  
ATOM    406  N   PHE A  25       4.944   2.936  -2.143  1.00  0.33           N  
ATOM    407  CA  PHE A  25       5.471   4.268  -2.460  1.00  0.26           C  
ATOM    408  C   PHE A  25       6.936   4.141  -2.890  1.00  0.29           C  
ATOM    409  O   PHE A  25       7.384   3.024  -3.081  1.00  0.36           O  
ATOM    410  CB  PHE A  25       5.262   5.225  -1.276  1.00  0.30           C  
ATOM    411  CG  PHE A  25       3.846   5.269  -0.778  1.00  0.24           C  
ATOM    412  CD1 PHE A  25       2.805   5.637  -1.625  1.00  1.11           C  
ATOM    413  CD2 PHE A  25       3.574   4.979   0.552  1.00  1.35           C  
ATOM    414  CE1 PHE A  25       1.524   5.816  -1.148  1.00  1.13           C  
ATOM    415  CE2 PHE A  25       2.343   5.341   1.063  1.00  1.38           C  
ATOM    416  CZ  PHE A  25       1.330   5.792   0.228  1.00  0.43           C  
ATOM    417  H   PHE A  25       5.419   2.333  -1.508  1.00  0.40           H  
ATOM    418  HA  PHE A  25       4.926   4.648  -3.312  1.00  0.25           H  
ATOM    419  HB2 PHE A  25       5.843   4.978  -0.408  1.00  0.45           H  
ATOM    420  HB3 PHE A  25       5.633   6.213  -1.554  1.00  0.39           H  
ATOM    421  HD1 PHE A  25       3.077   5.841  -2.644  1.00  2.04           H  
ATOM    422  HD2 PHE A  25       4.296   4.517   1.206  1.00  2.27           H  
ATOM    423  HE1 PHE A  25       0.696   6.016  -1.810  1.00  2.05           H  
ATOM    424  HE2 PHE A  25       2.196   5.245   2.135  1.00  2.31           H  
ATOM    425  HZ  PHE A  25       0.410   6.118   0.672  1.00  0.54           H  
ATOM    426  N   MET A  26       7.632   5.288  -3.023  1.00  0.26           N  
ATOM    427  CA  MET A  26       8.997   5.375  -3.557  1.00  0.31           C  
ATOM    428  C   MET A  26       9.779   6.393  -2.687  1.00  0.25           C  
ATOM    429  O   MET A  26       9.159   7.158  -1.946  1.00  0.31           O  
ATOM    430  CB  MET A  26       8.968   5.833  -5.040  1.00  0.41           C  
ATOM    431  CG  MET A  26       8.432   4.760  -6.007  1.00  0.89           C  
ATOM    432  SD  MET A  26       8.481   5.317  -7.728  1.00  1.18           S  
ATOM    433  CE  MET A  26       9.769   4.164  -8.379  1.00  1.61           C  
ATOM    434  H   MET A  26       7.290   6.151  -2.653  1.00  0.23           H  
ATOM    435  HA  MET A  26       9.480   4.404  -3.448  1.00  0.45           H  
ATOM    436  HB2 MET A  26       8.370   6.742  -5.121  1.00  0.57           H  
ATOM    437  HB3 MET A  26       9.968   6.116  -5.377  1.00  0.51           H  
ATOM    438  HG2 MET A  26       9.019   3.837  -5.940  1.00  1.19           H  
ATOM    439  HG3 MET A  26       7.411   4.496  -5.731  1.00  1.26           H  
ATOM    440  HE1 MET A  26      10.703   4.183  -7.791  1.00  2.14           H  
ATOM    441  HE2 MET A  26       9.381   3.150  -8.314  1.00  1.75           H  
ATOM    442  HE3 MET A  26       9.984   4.353  -9.444  1.00  2.35           H  
ATOM    443  N   VAL A  27      11.131   6.338  -2.812  1.00  0.35           N  
ATOM    444  CA  VAL A  27      12.053   7.125  -1.974  1.00  0.40           C  
ATOM    445  C   VAL A  27      12.877   8.153  -2.807  1.00  0.45           C  
ATOM    446  O   VAL A  27      13.525   9.017  -2.245  1.00  1.10           O  
ATOM    447  CB  VAL A  27      12.969   6.153  -1.184  1.00  0.70           C  
ATOM    448  CG1 VAL A  27      13.996   6.886  -0.304  1.00  0.81           C  
ATOM    449  CG2 VAL A  27      12.214   5.155  -0.290  1.00  1.07           C  
ATOM    450  H   VAL A  27      11.507   5.629  -3.420  1.00  0.48           H  
ATOM    451  HA  VAL A  27      11.469   7.718  -1.276  1.00  0.65           H  
ATOM    452  HB  VAL A  27      13.519   5.552  -1.915  1.00  0.82           H  
ATOM    453 HG11 VAL A  27      13.569   7.792   0.125  1.00  1.20           H  
ATOM    454 HG12 VAL A  27      14.326   6.253   0.523  1.00  1.35           H  
ATOM    455 HG13 VAL A  27      14.878   7.170  -0.871  1.00  1.37           H  
ATOM    456 HG21 VAL A  27      11.257   4.827  -0.688  1.00  1.71           H  
ATOM    457 HG22 VAL A  27      12.816   4.267  -0.094  1.00  1.29           H  
ATOM    458 HG23 VAL A  27      12.077   5.616   0.679  1.00  1.60           H  
ATOM    459  N   SER A  28      12.829   8.071  -4.151  1.00  0.71           N  
ATOM    460  CA  SER A  28      13.686   8.925  -4.993  1.00  0.98           C  
ATOM    461  C   SER A  28      12.901  10.163  -5.427  1.00  0.80           C  
ATOM    462  O   SER A  28      13.365  10.980  -6.195  1.00  1.17           O  
ATOM    463  CB  SER A  28      14.102   8.062  -6.200  1.00  1.51           C  
ATOM    464  OG  SER A  28      14.200   6.725  -5.724  1.00  2.34           O  
ATOM    465  H   SER A  28      12.216   7.488  -4.682  1.00  1.16           H  
ATOM    466  HA  SER A  28      14.571   9.226  -4.423  1.00  1.41           H  
ATOM    467  HB2 SER A  28      13.366   8.098  -7.006  1.00  1.86           H  
ATOM    468  HB3 SER A  28      15.039   8.387  -6.664  1.00  1.80           H  
ATOM    469  HG  SER A  28      14.892   6.698  -5.064  1.00  2.63           H  
ATOM    470  N   ASN A  29      11.635  10.195  -4.974  1.00  0.80           N  
ATOM    471  CA  ASN A  29      10.660  11.030  -5.678  1.00  1.38           C  
ATOM    472  C   ASN A  29      10.191  12.103  -4.693  1.00  0.79           C  
ATOM    473  O   ASN A  29      10.682  12.218  -3.585  1.00  1.14           O  
ATOM    474  CB  ASN A  29       9.568  10.140  -6.338  1.00  2.33           C  
ATOM    475  CG  ASN A  29       9.198  10.627  -7.759  1.00  3.28           C  
ATOM    476  OD1 ASN A  29       8.076  11.038  -8.011  1.00  3.79           O  
ATOM    477  ND2 ASN A  29      10.195  10.549  -8.644  1.00  3.94           N  
ATOM    478  H   ASN A  29      11.405   9.857  -4.063  1.00  0.78           H  
ATOM    479  HA  ASN A  29      11.181  11.579  -6.463  1.00  1.99           H  
ATOM    480  HB2 ASN A  29       9.925   9.112  -6.425  1.00  2.59           H  
ATOM    481  HB3 ASN A  29       8.644  10.101  -5.762  1.00  2.36           H  
ATOM    482 HD21 ASN A  29      11.079  10.144  -8.420  1.00  4.01           H  
ATOM    483 HD22 ASN A  29      10.050  10.958  -9.554  1.00  4.60           H  
ATOM    484  N   LEU A  30       9.234  12.859  -5.215  1.00  1.00           N  
ATOM    485  CA  LEU A  30       8.874  14.244  -4.907  1.00  1.03           C  
ATOM    486  C   LEU A  30       7.601  14.294  -4.045  1.00  0.57           C  
ATOM    487  O   LEU A  30       7.110  15.297  -3.555  1.00  1.03           O  
ATOM    488  CB  LEU A  30       8.462  14.717  -6.304  1.00  1.95           C  
ATOM    489  CG  LEU A  30       9.566  14.768  -7.376  1.00  2.91           C  
ATOM    490  CD1 LEU A  30       8.852  14.799  -8.768  1.00  3.79           C  
ATOM    491  CD2 LEU A  30      10.606  15.847  -6.999  1.00  3.52           C  
ATOM    492  H   LEU A  30       8.641  12.419  -5.889  1.00  1.64           H  
ATOM    493  HA  LEU A  30       9.706  14.789  -4.452  1.00  1.49           H  
ATOM    494  HB2 LEU A  30       7.722  13.970  -6.592  1.00  2.05           H  
ATOM    495  HB3 LEU A  30       7.919  15.669  -6.298  1.00  2.30           H  
ATOM    496  HG  LEU A  30      10.209  13.883  -7.302  1.00  2.97           H  
ATOM    497 HD11 LEU A  30       7.752  14.676  -8.557  1.00  3.96           H  
ATOM    498 HD12 LEU A  30       9.130  15.641  -9.407  1.00  4.15           H  
ATOM    499 HD13 LEU A  30       9.322  14.090  -9.449  1.00  4.31           H  
ATOM    500 HD21 LEU A  30      10.182  16.820  -6.694  1.00  3.92           H  
ATOM    501 HD22 LEU A  30      11.031  15.414  -6.095  1.00  3.71           H  
ATOM    502 HD23 LEU A  30      11.450  15.937  -7.711  1.00  3.87           H  
ATOM    503  N   THR A  31       7.067  13.078  -4.065  1.00  0.53           N  
ATOM    504  CA  THR A  31       5.891  12.676  -3.402  1.00  1.18           C  
ATOM    505  C   THR A  31       6.482  11.699  -2.380  1.00  1.19           C  
ATOM    506  O   THR A  31       7.623  11.757  -1.964  1.00  2.20           O  
ATOM    507  CB  THR A  31       4.949  12.106  -4.520  1.00  1.81           C  
ATOM    508  OG1 THR A  31       5.657  11.427  -5.542  1.00  2.18           O  
ATOM    509  CG2 THR A  31       4.076  13.213  -5.104  1.00  2.68           C  
ATOM    510  H   THR A  31       7.652  12.292  -4.207  1.00  0.69           H  
ATOM    511  HA  THR A  31       5.447  13.528  -2.873  1.00  1.56           H  
ATOM    512  HB  THR A  31       4.232  11.372  -4.175  1.00  2.06           H  
ATOM    513  HG1 THR A  31       6.065  12.068  -6.125  1.00  2.41           H  
ATOM    514 HG21 THR A  31       4.639  14.148  -5.158  1.00  3.19           H  
ATOM    515 HG22 THR A  31       3.754  13.003  -6.124  1.00  3.20           H  
ATOM    516 HG23 THR A  31       3.227  13.400  -4.443  1.00  2.86           H  
ATOM    517  N   VAL A  32       5.573  10.849  -2.033  1.00  0.26           N  
ATOM    518  CA  VAL A  32       5.490  10.056  -0.847  1.00  0.34           C  
ATOM    519  C   VAL A  32       4.271   9.237  -1.274  1.00  0.43           C  
ATOM    520  O   VAL A  32       4.370   8.015  -1.298  1.00  0.59           O  
ATOM    521  CB  VAL A  32       5.350  10.859   0.493  1.00  0.33           C  
ATOM    522  CG1 VAL A  32       4.778   9.986   1.641  1.00  0.66           C  
ATOM    523  CG2 VAL A  32       6.642  11.634   0.920  1.00  0.88           C  
ATOM    524  H   VAL A  32       4.875  10.751  -2.732  1.00  0.79           H  
ATOM    525  HA  VAL A  32       6.370   9.417  -0.821  1.00  0.45           H  
ATOM    526  HB  VAL A  32       4.618  11.649   0.331  1.00  0.67           H  
ATOM    527 HG11 VAL A  32       3.971   9.344   1.297  1.00  1.17           H  
ATOM    528 HG12 VAL A  32       5.515   9.348   2.124  1.00  1.35           H  
ATOM    529 HG13 VAL A  32       4.347  10.641   2.398  1.00  1.35           H  
ATOM    530 HG21 VAL A  32       7.563  11.096   0.680  1.00  1.68           H  
ATOM    531 HG22 VAL A  32       6.722  12.596   0.408  1.00  1.29           H  
ATOM    532 HG23 VAL A  32       6.687  11.867   1.986  1.00  1.22           H  
ATOM    533  N   PRO A  33       3.127   9.865  -1.713  1.00  0.38           N  
ATOM    534  CA  PRO A  33       2.060   9.050  -2.298  1.00  0.50           C  
ATOM    535  C   PRO A  33       2.357   8.619  -3.764  1.00  0.45           C  
ATOM    536  O   PRO A  33       2.971   9.347  -4.525  1.00  0.53           O  
ATOM    537  CB  PRO A  33       0.806   9.895  -2.109  1.00  0.57           C  
ATOM    538  CG  PRO A  33       1.292  11.338  -2.211  1.00  0.48           C  
ATOM    539  CD  PRO A  33       2.762  11.314  -1.733  1.00  0.33           C  
ATOM    540  HA  PRO A  33       1.937   8.146  -1.718  1.00  0.64           H  
ATOM    541  HB2 PRO A  33       0.001   9.632  -2.795  1.00  0.59           H  
ATOM    542  HB3 PRO A  33       0.452   9.737  -1.088  1.00  0.70           H  
ATOM    543  HG2 PRO A  33       1.224  11.647  -3.258  1.00  0.45           H  
ATOM    544  HG3 PRO A  33       0.676  12.028  -1.635  1.00  0.60           H  
ATOM    545  HD2 PRO A  33       3.354  11.894  -2.432  1.00  0.26           H  
ATOM    546  HD3 PRO A  33       2.888  11.815  -0.776  1.00  0.39           H  
ATOM    547  N   VAL A  34       1.931   7.359  -4.029  1.00  0.39           N  
ATOM    548  CA  VAL A  34       2.171   6.596  -5.260  1.00  0.41           C  
ATOM    549  C   VAL A  34       1.034   5.565  -5.402  1.00  0.47           C  
ATOM    550  O   VAL A  34       0.200   5.756  -6.261  1.00  0.52           O  
ATOM    551  CB  VAL A  34       3.540   5.871  -5.376  1.00  0.44           C  
ATOM    552  CG1 VAL A  34       3.717   5.186  -6.755  1.00  0.46           C  
ATOM    553  CG2 VAL A  34       4.779   6.728  -5.049  1.00  0.55           C  
ATOM    554  H   VAL A  34       1.355   6.921  -3.341  1.00  0.40           H  
ATOM    555  HA  VAL A  34       2.088   7.305  -6.082  1.00  0.43           H  
ATOM    556  HB  VAL A  34       3.508   5.068  -4.646  1.00  0.43           H  
ATOM    557 HG11 VAL A  34       2.882   5.379  -7.425  1.00  1.04           H  
ATOM    558 HG12 VAL A  34       4.610   5.534  -7.280  1.00  1.20           H  
ATOM    559 HG13 VAL A  34       3.815   4.107  -6.658  1.00  1.07           H  
ATOM    560 HG21 VAL A  34       4.706   7.201  -4.073  1.00  1.17           H  
ATOM    561 HG22 VAL A  34       5.669   6.094  -5.037  1.00  1.12           H  
ATOM    562 HG23 VAL A  34       4.942   7.502  -5.801  1.00  1.20           H  
ATOM    563  N   LYS A  35       0.966   4.500  -4.548  1.00  0.51           N  
ATOM    564  CA  LYS A  35      -0.124   3.510  -4.709  1.00  0.60           C  
ATOM    565  C   LYS A  35      -0.429   2.763  -3.412  1.00  0.63           C  
ATOM    566  O   LYS A  35       0.135   3.063  -2.372  1.00  0.60           O  
ATOM    567  CB  LYS A  35       0.297   2.466  -5.766  1.00  0.67           C  
ATOM    568  CG  LYS A  35      -0.043   2.852  -7.218  1.00  1.43           C  
ATOM    569  CD  LYS A  35       1.007   2.365  -8.230  1.00  1.74           C  
ATOM    570  CE  LYS A  35       0.366   2.057  -9.608  1.00  2.25           C  
ATOM    571  NZ  LYS A  35       1.254   1.359 -10.555  1.00  2.71           N  
ATOM    572  H   LYS A  35       1.669   4.295  -3.863  1.00  0.51           H  
ATOM    573  HA  LYS A  35      -1.028   4.051  -4.987  1.00  0.63           H  
ATOM    574  HB2 LYS A  35       1.357   2.242  -5.625  1.00  1.24           H  
ATOM    575  HB3 LYS A  35      -0.182   1.494  -5.635  1.00  1.24           H  
ATOM    576  HG2 LYS A  35      -1.030   2.436  -7.471  1.00  1.96           H  
ATOM    577  HG3 LYS A  35      -0.172   3.918  -7.349  1.00  2.13           H  
ATOM    578  HD2 LYS A  35       1.797   3.116  -8.297  1.00  2.26           H  
ATOM    579  HD3 LYS A  35       1.500   1.467  -7.868  1.00  1.84           H  
ATOM    580  HE2 LYS A  35      -0.510   1.417  -9.479  1.00  2.58           H  
ATOM    581  HE3 LYS A  35      -0.016   2.968 -10.096  1.00  2.67           H  
ATOM    582  HZ1 LYS A  35       2.187   1.170 -10.142  1.00  3.06           H  
ATOM    583  HZ2 LYS A  35       0.833   0.451 -10.822  1.00  2.84           H  
ATOM    584  HZ3 LYS A  35       1.378   1.935 -11.420  1.00  3.22           H  
ATOM    585  N   ARG A  36      -1.313   1.743  -3.575  1.00  0.75           N  
ATOM    586  CA  ARG A  36      -1.558   0.642  -2.646  1.00  0.83           C  
ATOM    587  C   ARG A  36      -2.154  -0.524  -3.454  1.00  0.96           C  
ATOM    588  O   ARG A  36      -2.528  -0.349  -4.613  1.00  1.03           O  
ATOM    589  CB  ARG A  36      -2.460   1.210  -1.530  1.00  0.87           C  
ATOM    590  CG  ARG A  36      -3.117   0.257  -0.521  1.00  1.23           C  
ATOM    591  CD  ARG A  36      -3.736   0.959   0.691  1.00  1.23           C  
ATOM    592  NE  ARG A  36      -3.086   0.503   1.934  1.00  1.77           N  
ATOM    593  CZ  ARG A  36      -3.245   1.215   3.088  1.00  1.82           C  
ATOM    594  NH1 ARG A  36      -4.219   2.098   3.147  1.00  2.30           N  
ATOM    595  NH2 ARG A  36      -2.404   0.932   4.070  1.00  2.10           N  
ATOM    596  H   ARG A  36      -1.807   1.634  -4.438  1.00  0.79           H  
ATOM    597  HA  ARG A  36      -0.584   0.279  -2.335  1.00  0.80           H  
ATOM    598  HB2 ARG A  36      -1.925   2.000  -1.008  1.00  0.97           H  
ATOM    599  HB3 ARG A  36      -3.234   1.701  -2.091  1.00  0.99           H  
ATOM    600  HG2 ARG A  36      -3.854  -0.367  -1.023  1.00  1.52           H  
ATOM    601  HG3 ARG A  36      -2.428  -0.446  -0.114  1.00  1.60           H  
ATOM    602  HD2 ARG A  36      -3.693   2.047   0.646  1.00  1.44           H  
ATOM    603  HD3 ARG A  36      -4.766   0.675   0.804  1.00  1.52           H  
ATOM    604  HE  ARG A  36      -2.604  -0.366   1.978  1.00  2.37           H  
ATOM    605 HH11 ARG A  36      -4.773   2.101   2.297  1.00  2.82           H  
ATOM    606 HH12 ARG A  36      -4.458   2.671   3.945  1.00  2.47           H  
ATOM    607 HH21 ARG A  36      -1.638   0.334   3.911  1.00  2.57           H  
ATOM    608 HH22 ARG A  36      -2.497   1.315   5.025  1.00  2.22           H  
ATOM    609  N   GLY A  37      -2.160  -1.682  -2.782  1.00  1.03           N  
ATOM    610  CA  GLY A  37      -2.890  -2.882  -3.157  1.00  1.15           C  
ATOM    611  C   GLY A  37      -3.136  -3.591  -1.834  1.00  1.23           C  
ATOM    612  O   GLY A  37      -2.894  -2.978  -0.803  1.00  1.21           O  
ATOM    613  H   GLY A  37      -1.682  -1.749  -1.900  1.00  1.01           H  
ATOM    614  HA2 GLY A  37      -3.833  -2.605  -3.632  1.00  1.22           H  
ATOM    615  HA3 GLY A  37      -2.272  -3.487  -3.822  1.00  1.15           H  
ATOM    616  N   CYS A  38      -3.585  -4.842  -1.937  1.00  1.32           N  
ATOM    617  CA  CYS A  38      -3.717  -5.782  -0.822  1.00  1.41           C  
ATOM    618  C   CYS A  38      -2.350  -6.466  -0.607  1.00  1.38           C  
ATOM    619  O   CYS A  38      -1.404  -6.118  -1.318  1.00  1.30           O  
ATOM    620  CB  CYS A  38      -4.828  -6.775  -1.174  1.00  1.53           C  
ATOM    621  SG  CYS A  38      -6.108  -6.723   0.095  1.00  1.89           S  
ATOM    622  H   CYS A  38      -3.741  -5.205  -2.849  1.00  1.35           H  
ATOM    623  HA  CYS A  38      -4.041  -5.239   0.058  1.00  1.44           H  
ATOM    624  HB2 CYS A  38      -5.274  -6.503  -2.133  1.00  1.48           H  
ATOM    625  HB3 CYS A  38      -4.455  -7.786  -1.279  1.00  1.71           H  
ATOM    626  N   ILE A  39      -2.301  -7.430   0.342  1.00  1.46           N  
ATOM    627  CA  ILE A  39      -1.119  -8.243   0.679  1.00  1.46           C  
ATOM    628  C   ILE A  39      -1.623  -9.583   1.283  1.00  1.61           C  
ATOM    629  O   ILE A  39      -2.777  -9.687   1.715  1.00  1.72           O  
ATOM    630  CB  ILE A  39      -0.192  -7.459   1.656  1.00  1.39           C  
ATOM    631  CG1 ILE A  39       0.856  -6.669   0.871  1.00  1.27           C  
ATOM    632  CG2 ILE A  39       0.556  -8.320   2.679  1.00  1.44           C  
ATOM    633  CD1 ILE A  39       1.914  -5.998   1.762  1.00  1.23           C  
ATOM    634  H   ILE A  39      -3.126  -7.633   0.882  1.00  1.55           H  
ATOM    635  HA  ILE A  39      -0.599  -8.488  -0.255  1.00  1.42           H  
ATOM    636  HB  ILE A  39      -0.818  -6.778   2.232  1.00  1.42           H  
ATOM    637 HG12 ILE A  39       1.371  -7.300   0.154  1.00  1.26           H  
ATOM    638 HG13 ILE A  39       0.322  -5.959   0.284  1.00  1.27           H  
ATOM    639 HG21 ILE A  39      -0.076  -9.029   3.210  1.00  1.58           H  
ATOM    640 HG22 ILE A  39       1.338  -8.859   2.148  1.00  1.85           H  
ATOM    641 HG23 ILE A  39       1.019  -7.705   3.444  1.00  1.87           H  
ATOM    642 HD11 ILE A  39       1.444  -5.500   2.609  1.00  1.31           H  
ATOM    643 HD12 ILE A  39       2.606  -6.728   2.185  1.00  1.81           H  
ATOM    644 HD13 ILE A  39       2.530  -5.282   1.211  1.00  1.54           H  
ATOM    645  N   ASP A  40      -0.666 -10.539   1.327  1.00  1.63           N  
ATOM    646  CA  ASP A  40      -0.770 -11.840   2.007  1.00  1.79           C  
ATOM    647  C   ASP A  40       0.248 -11.976   3.200  1.00  1.80           C  
ATOM    648  O   ASP A  40       0.016 -12.649   4.198  1.00  1.93           O  
ATOM    649  CB  ASP A  40      -0.511 -12.925   0.931  1.00  1.90           C  
ATOM    650  CG  ASP A  40      -1.358 -14.191   1.090  1.00  2.21           C  
ATOM    651  OD1 ASP A  40      -2.066 -14.323   2.085  1.00  2.49           O  
ATOM    652  OD2 ASP A  40      -1.310 -15.044   0.200  1.00  2.71           O  
ATOM    653  H   ASP A  40       0.210 -10.287   0.926  1.00  1.56           H  
ATOM    654  HA  ASP A  40      -1.778 -11.909   2.416  1.00  1.87           H  
ATOM    655  HB2 ASP A  40      -0.733 -12.542  -0.062  1.00  2.08           H  
ATOM    656  HB3 ASP A  40       0.528 -13.248   0.914  1.00  1.87           H  
ATOM    657  N   VAL A  41       1.426 -11.328   3.018  1.00  1.70           N  
ATOM    658  CA  VAL A  41       2.444 -11.240   4.075  1.00  1.74           C  
ATOM    659  C   VAL A  41       3.123  -9.866   3.953  1.00  1.66           C  
ATOM    660  O   VAL A  41       3.450  -9.433   2.853  1.00  1.63           O  
ATOM    661  CB  VAL A  41       3.541 -12.342   3.950  1.00  1.80           C  
ATOM    662  CG1 VAL A  41       3.354 -13.435   4.990  1.00  2.02           C  
ATOM    663  CG2 VAL A  41       3.712 -12.871   2.528  1.00  2.52           C  
ATOM    664  H   VAL A  41       1.566 -10.803   2.184  1.00  1.63           H  
ATOM    665  HA  VAL A  41       1.936 -11.312   5.040  1.00  1.80           H  
ATOM    666  HB  VAL A  41       4.519 -11.898   4.172  1.00  2.13           H  
ATOM    667 HG11 VAL A  41       2.362 -13.802   4.770  1.00  2.30           H  
ATOM    668 HG12 VAL A  41       3.349 -14.481   4.719  1.00  2.22           H  
ATOM    669 HG13 VAL A  41       4.335 -13.850   5.208  1.00  2.70           H  
ATOM    670 HG21 VAL A  41       3.698 -12.042   1.828  1.00  2.87           H  
ATOM    671 HG22 VAL A  41       4.666 -13.408   2.427  1.00  3.09           H  
ATOM    672 HG23 VAL A  41       2.892 -13.503   2.197  1.00  2.86           H  
ATOM    673  N   CYS A  42       3.365  -9.247   5.118  1.00  1.64           N  
ATOM    674  CA  CYS A  42       4.287  -8.110   5.177  1.00  1.58           C  
ATOM    675  C   CYS A  42       5.591  -8.623   5.822  1.00  1.55           C  
ATOM    676  O   CYS A  42       5.658  -8.854   7.024  1.00  1.56           O  
ATOM    677  CB  CYS A  42       3.648  -6.912   5.912  1.00  1.60           C  
ATOM    678  SG  CYS A  42       4.685  -5.420   5.915  1.00  1.56           S  
ATOM    679  H   CYS A  42       3.025  -9.622   5.981  1.00  1.70           H  
ATOM    680  HA  CYS A  42       4.494  -7.765   4.165  1.00  1.58           H  
ATOM    681  HB2 CYS A  42       2.720  -6.648   5.402  1.00  1.65           H  
ATOM    682  HB3 CYS A  42       3.361  -7.167   6.930  1.00  1.65           H  
ATOM    683  N   PRO A  43       6.619  -8.867   4.955  1.00  1.56           N  
ATOM    684  CA  PRO A  43       7.980  -9.026   5.425  1.00  1.57           C  
ATOM    685  C   PRO A  43       8.506  -7.604   5.584  1.00  1.53           C  
ATOM    686  O   PRO A  43       8.015  -6.809   6.376  1.00  1.79           O  
ATOM    687  CB  PRO A  43       8.640  -9.858   4.310  1.00  1.64           C  
ATOM    688  CG  PRO A  43       7.895  -9.465   3.031  1.00  1.66           C  
ATOM    689  CD  PRO A  43       6.509  -9.006   3.502  1.00  1.61           C  
ATOM    690  HA  PRO A  43       8.049  -9.518   6.394  1.00  1.59           H  
ATOM    691  HB2 PRO A  43       9.722  -9.770   4.238  1.00  1.66           H  
ATOM    692  HB3 PRO A  43       8.433 -10.905   4.521  1.00  1.68           H  
ATOM    693  HG2 PRO A  43       8.397  -8.639   2.526  1.00  1.68           H  
ATOM    694  HG3 PRO A  43       7.834 -10.291   2.324  1.00  1.72           H  
ATOM    695  HD2 PRO A  43       6.245  -8.058   3.031  1.00  1.61           H  
ATOM    696  HD3 PRO A  43       5.761  -9.757   3.265  1.00  1.63           H  
ATOM    697  N   LYS A  44       9.535  -7.328   4.790  1.00  1.46           N  
ATOM    698  CA  LYS A  44      10.176  -6.044   4.901  1.00  1.44           C  
ATOM    699  C   LYS A  44       9.820  -5.230   3.670  1.00  1.37           C  
ATOM    700  O   LYS A  44       8.926  -5.540   2.892  1.00  1.52           O  
ATOM    701  CB  LYS A  44      11.696  -6.286   5.147  1.00  1.53           C  
ATOM    702  CG  LYS A  44      11.935  -7.279   6.333  1.00  2.09           C  
ATOM    703  CD  LYS A  44      13.094  -6.956   7.296  1.00  2.49           C  
ATOM    704  CE  LYS A  44      14.079  -8.112   7.570  1.00  3.13           C  
ATOM    705  NZ  LYS A  44      14.426  -8.281   9.007  1.00  3.58           N  
ATOM    706  H   LYS A  44       9.789  -7.893   4.008  1.00  1.60           H  
ATOM    707  HA  LYS A  44       9.773  -5.490   5.744  1.00  1.45           H  
ATOM    708  HB2 LYS A  44      12.167  -6.737   4.273  1.00  1.66           H  
ATOM    709  HB3 LYS A  44      12.187  -5.318   5.319  1.00  1.91           H  
ATOM    710  HG2 LYS A  44      11.031  -7.244   6.935  1.00  2.49           H  
ATOM    711  HG3 LYS A  44      11.981  -8.269   5.882  1.00  2.68           H  
ATOM    712  HD2 LYS A  44      13.607  -6.105   6.873  1.00  2.95           H  
ATOM    713  HD3 LYS A  44      12.678  -6.575   8.234  1.00  2.64           H  
ATOM    714  HE2 LYS A  44      13.626  -9.031   7.214  1.00  3.36           H  
ATOM    715  HE3 LYS A  44      15.014  -8.085   7.008  1.00  3.58           H  
ATOM    716  HZ1 LYS A  44      14.799  -7.384   9.421  1.00  3.94           H  
ATOM    717  HZ2 LYS A  44      13.557  -8.544   9.525  1.00  3.62           H  
ATOM    718  HZ3 LYS A  44      15.148  -9.031   9.128  1.00  3.94           H  
ATOM    719  N   ASN A  45      10.597  -4.153   3.601  1.00  1.28           N  
ATOM    720  CA  ASN A  45      10.467  -3.018   2.719  1.00  1.22           C  
ATOM    721  C   ASN A  45      11.894  -2.863   2.229  1.00  1.31           C  
ATOM    722  O   ASN A  45      12.829  -3.229   2.927  1.00  1.59           O  
ATOM    723  CB  ASN A  45      10.005  -1.715   3.443  1.00  1.21           C  
ATOM    724  CG  ASN A  45       9.738  -1.804   4.973  1.00  1.30           C  
ATOM    725  OD1 ASN A  45       9.324  -2.809   5.534  1.00  2.06           O  
ATOM    726  ND2 ASN A  45       9.985  -0.651   5.613  1.00  1.60           N  
ATOM    727  H   ASN A  45      11.366  -4.158   4.242  1.00  1.33           H  
ATOM    728  HA  ASN A  45       9.824  -3.298   1.877  1.00  1.18           H  
ATOM    729  HB2 ASN A  45      10.730  -0.915   3.272  1.00  1.53           H  
ATOM    730  HB3 ASN A  45       9.086  -1.346   2.997  1.00  1.56           H  
ATOM    731 HD21 ASN A  45      10.415   0.121   5.149  1.00  1.91           H  
ATOM    732 HD22 ASN A  45       9.738  -0.551   6.574  1.00  2.06           H  
ATOM    733  N   SER A  46      11.983  -2.375   0.997  1.00  1.16           N  
ATOM    734  CA  SER A  46      13.219  -2.181   0.263  1.00  1.27           C  
ATOM    735  C   SER A  46      13.598  -0.713   0.483  1.00  1.15           C  
ATOM    736  O   SER A  46      12.898   0.019   1.164  1.00  1.10           O  
ATOM    737  CB  SER A  46      12.927  -2.567  -1.206  1.00  1.32           C  
ATOM    738  OG  SER A  46      13.353  -3.910  -1.360  1.00  1.87           O  
ATOM    739  H   SER A  46      11.189  -1.872   0.664  1.00  1.04           H  
ATOM    740  HA  SER A  46      14.009  -2.810   0.682  1.00  1.48           H  
ATOM    741  HB2 SER A  46      11.850  -2.515  -1.399  1.00  1.58           H  
ATOM    742  HB3 SER A  46      13.423  -1.917  -1.934  1.00  1.59           H  
ATOM    743  HG  SER A  46      13.322  -4.214  -2.270  1.00  2.16           H  
ATOM    744  N   ALA A  47      14.726  -0.332  -0.141  1.00  1.17           N  
ATOM    745  CA  ALA A  47      15.157   1.074  -0.198  1.00  1.14           C  
ATOM    746  C   ALA A  47      14.762   1.733  -1.534  1.00  0.96           C  
ATOM    747  O   ALA A  47      15.343   2.733  -1.938  1.00  1.04           O  
ATOM    748  CB  ALA A  47      16.684   1.096  -0.051  1.00  1.35           C  
ATOM    749  H   ALA A  47      15.323  -1.027  -0.545  1.00  1.26           H  
ATOM    750  HA  ALA A  47      14.680   1.637   0.611  1.00  1.16           H  
ATOM    751  HB1 ALA A  47      17.145   0.381  -0.726  1.00  1.46           H  
ATOM    752  HB2 ALA A  47      17.085   2.077  -0.293  1.00  2.10           H  
ATOM    753  HB3 ALA A  47      16.994   0.861   0.960  1.00  1.54           H  
ATOM    754  N   LEU A  48      13.784   1.088  -2.194  1.00  0.82           N  
ATOM    755  CA  LEU A  48      13.330   1.551  -3.509  1.00  0.72           C  
ATOM    756  C   LEU A  48      11.851   1.920  -3.428  1.00  0.62           C  
ATOM    757  O   LEU A  48      11.378   2.901  -3.995  1.00  0.63           O  
ATOM    758  CB  LEU A  48      13.531   0.468  -4.586  1.00  0.84           C  
ATOM    759  CG  LEU A  48      15.015   0.278  -4.905  1.00  1.11           C  
ATOM    760  CD1 LEU A  48      15.250  -1.025  -5.688  1.00  1.32           C  
ATOM    761  CD2 LEU A  48      15.628   1.511  -5.591  1.00  1.54           C  
ATOM    762  H   LEU A  48      13.321   0.333  -1.749  1.00  0.88           H  
ATOM    763  HA  LEU A  48      13.845   2.472  -3.777  1.00  0.70           H  
ATOM    764  HB2 LEU A  48      13.117  -0.473  -4.230  1.00  1.25           H  
ATOM    765  HB3 LEU A  48      12.990   0.720  -5.497  1.00  1.02           H  
ATOM    766  HG  LEU A  48      15.548   0.181  -3.954  1.00  1.52           H  
ATOM    767 HD11 LEU A  48      14.640  -1.843  -5.315  1.00  1.65           H  
ATOM    768 HD12 LEU A  48      15.025  -0.927  -6.753  1.00  1.78           H  
ATOM    769 HD13 LEU A  48      16.298  -1.330  -5.593  1.00  1.62           H  
ATOM    770 HD21 LEU A  48      15.097   1.820  -6.485  1.00  1.86           H  
ATOM    771 HD22 LEU A  48      15.596   2.351  -4.909  1.00  1.98           H  
ATOM    772 HD23 LEU A  48      16.660   1.330  -5.875  1.00  2.09           H  
ATOM    773  N   VAL A  49      11.146   1.067  -2.677  1.00  0.68           N  
ATOM    774  CA  VAL A  49       9.732   1.198  -2.552  1.00  0.61           C  
ATOM    775  C   VAL A  49       9.488   1.165  -1.033  1.00  0.60           C  
ATOM    776  O   VAL A  49      10.124   0.427  -0.284  1.00  0.68           O  
ATOM    777  CB  VAL A  49       9.038   0.083  -3.369  1.00  0.65           C  
ATOM    778  CG1 VAL A  49       9.466   0.050  -4.867  1.00  1.07           C  
ATOM    779  CG2 VAL A  49       9.310  -1.299  -2.764  1.00  1.16           C  
ATOM    780  H   VAL A  49      11.553   0.447  -2.015  1.00  0.83           H  
ATOM    781  HA  VAL A  49       9.452   2.177  -2.936  1.00  0.59           H  
ATOM    782  HB  VAL A  49       7.963   0.280  -3.352  1.00  0.80           H  
ATOM    783 HG11 VAL A  49       9.514   1.049  -5.306  1.00  1.82           H  
ATOM    784 HG12 VAL A  49      10.403  -0.486  -5.026  1.00  1.40           H  
ATOM    785 HG13 VAL A  49       8.746  -0.504  -5.474  1.00  1.51           H  
ATOM    786 HG21 VAL A  49       9.102  -1.361  -1.699  1.00  1.46           H  
ATOM    787 HG22 VAL A  49       8.734  -2.074  -3.270  1.00  1.62           H  
ATOM    788 HG23 VAL A  49      10.369  -1.526  -2.904  1.00  1.62           H  
ATOM    789  N   LYS A  50       8.535   2.027  -0.640  1.00  0.55           N  
ATOM    790  CA  LYS A  50       7.997   2.118   0.721  1.00  0.59           C  
ATOM    791  C   LYS A  50       6.813   1.126   0.699  1.00  0.61           C  
ATOM    792  O   LYS A  50       5.758   1.422   0.149  1.00  0.55           O  
ATOM    793  CB  LYS A  50       7.474   3.570   0.969  1.00  0.57           C  
ATOM    794  CG  LYS A  50       8.374   4.876   1.246  1.00  1.20           C  
ATOM    795  CD  LYS A  50       9.636   4.925   2.235  1.00  1.33           C  
ATOM    796  CE  LYS A  50       9.755   6.028   3.332  1.00  1.63           C  
ATOM    797  NZ  LYS A  50       8.723   7.039   3.147  1.00  2.21           N  
ATOM    798  H   LYS A  50       8.045   2.399  -1.422  1.00  0.51           H  
ATOM    799  HA  LYS A  50       8.752   1.842   1.468  1.00  0.68           H  
ATOM    800  HB2 LYS A  50       7.226   3.755  -0.059  1.00  0.80           H  
ATOM    801  HB3 LYS A  50       6.462   3.589   1.385  1.00  0.83           H  
ATOM    802  HG2 LYS A  50       8.784   5.132   0.269  1.00  1.91           H  
ATOM    803  HG3 LYS A  50       7.669   5.698   1.514  1.00  1.92           H  
ATOM    804  HD2 LYS A  50      10.091   3.954   2.506  1.00  1.83           H  
ATOM    805  HD3 LYS A  50      10.351   5.370   1.558  1.00  1.91           H  
ATOM    806  HE2 LYS A  50       9.794   5.700   4.378  1.00  1.93           H  
ATOM    807  HE3 LYS A  50      10.708   6.572   3.174  1.00  2.15           H  
ATOM    808  HZ1 LYS A  50       8.710   7.276   2.139  1.00  2.73           H  
ATOM    809  HZ2 LYS A  50       7.808   6.561   3.410  1.00  2.61           H  
ATOM    810  HZ3 LYS A  50       8.943   7.858   3.725  1.00  2.45           H  
ATOM    811  N   TYR A  51       7.040  -0.041   1.310  1.00  0.74           N  
ATOM    812  CA  TYR A  51       5.943  -0.923   1.684  1.00  0.81           C  
ATOM    813  C   TYR A  51       5.444  -0.424   3.064  1.00  0.91           C  
ATOM    814  O   TYR A  51       6.083  -0.672   4.077  1.00  1.03           O  
ATOM    815  CB  TYR A  51       6.465  -2.386   1.712  1.00  0.93           C  
ATOM    816  CG  TYR A  51       6.141  -3.131   0.442  1.00  0.91           C  
ATOM    817  CD1 TYR A  51       6.671  -2.675  -0.754  1.00  1.47           C  
ATOM    818  CD2 TYR A  51       5.332  -4.260   0.440  1.00  1.54           C  
ATOM    819  CE1 TYR A  51       6.418  -3.357  -1.940  1.00  1.53           C  
ATOM    820  CE2 TYR A  51       5.056  -4.935  -0.748  1.00  1.53           C  
ATOM    821  CZ  TYR A  51       5.624  -4.500  -1.942  1.00  1.00           C  
ATOM    822  OH  TYR A  51       5.408  -5.188  -3.135  1.00  1.08           O  
ATOM    823  H   TYR A  51       7.986  -0.230   1.567  1.00  0.82           H  
ATOM    824  HA  TYR A  51       5.128  -0.834   0.973  1.00  0.75           H  
ATOM    825  HB2 TYR A  51       7.554  -2.406   1.792  1.00  0.94           H  
ATOM    826  HB3 TYR A  51       6.135  -2.962   2.587  1.00  1.04           H  
ATOM    827  HD1 TYR A  51       7.296  -1.794  -0.724  1.00  2.25           H  
ATOM    828  HD2 TYR A  51       4.924  -4.636   1.369  1.00  2.35           H  
ATOM    829  HE1 TYR A  51       6.835  -3.030  -2.880  1.00  2.34           H  
ATOM    830  HE2 TYR A  51       4.385  -5.791  -0.727  1.00  2.32           H  
ATOM    831  HH  TYR A  51       4.870  -5.964  -2.979  1.00  1.33           H  
ATOM    832  N   VAL A  52       4.302   0.298   3.053  1.00  0.92           N  
ATOM    833  CA  VAL A  52       3.572   0.609   4.288  1.00  1.05           C  
ATOM    834  C   VAL A  52       2.321  -0.305   4.337  1.00  1.12           C  
ATOM    835  O   VAL A  52       1.182   0.084   4.061  1.00  1.11           O  
ATOM    836  CB  VAL A  52       3.141   2.085   4.323  1.00  1.05           C  
ATOM    837  CG1 VAL A  52       4.213   3.064   4.833  1.00  1.12           C  
ATOM    838  CG2 VAL A  52       2.611   2.521   2.967  1.00  1.04           C  
ATOM    839  H   VAL A  52       3.888   0.543   2.175  1.00  0.87           H  
ATOM    840  HA  VAL A  52       4.196   0.382   5.156  1.00  1.14           H  
ATOM    841  HB  VAL A  52       2.308   2.178   5.018  1.00  1.40           H  
ATOM    842 HG11 VAL A  52       5.226   2.782   4.544  1.00  1.65           H  
ATOM    843 HG12 VAL A  52       4.033   4.066   4.439  1.00  1.46           H  
ATOM    844 HG13 VAL A  52       4.218   3.146   5.917  1.00  1.60           H  
ATOM    845 HG21 VAL A  52       2.028   1.734   2.516  1.00  1.23           H  
ATOM    846 HG22 VAL A  52       1.953   3.368   3.108  1.00  1.71           H  
ATOM    847 HG23 VAL A  52       3.404   2.771   2.261  1.00  1.44           H  
ATOM    848  N   CYS A  53       2.628  -1.558   4.683  1.00  1.21           N  
ATOM    849  CA  CYS A  53       1.603  -2.563   4.914  1.00  1.30           C  
ATOM    850  C   CYS A  53       0.881  -2.128   6.183  1.00  1.44           C  
ATOM    851  O   CYS A  53       1.373  -1.290   6.927  1.00  1.49           O  
ATOM    852  CB  CYS A  53       2.314  -3.914   5.012  1.00  1.36           C  
ATOM    853  SG  CYS A  53       3.377  -3.975   6.475  1.00  1.49           S  
ATOM    854  H   CYS A  53       3.534  -1.790   5.040  1.00  1.23           H  
ATOM    855  HA  CYS A  53       0.894  -2.561   4.096  1.00  1.25           H  
ATOM    856  HB2 CYS A  53       1.604  -4.741   5.015  1.00  1.43           H  
ATOM    857  HB3 CYS A  53       2.933  -4.064   4.125  1.00  1.35           H  
ATOM    858  N   CYS A  54      -0.302  -2.669   6.389  1.00  1.51           N  
ATOM    859  CA  CYS A  54      -0.966  -2.414   7.655  1.00  1.67           C  
ATOM    860  C   CYS A  54      -2.137  -3.333   7.608  1.00  1.77           C  
ATOM    861  O   CYS A  54      -2.503  -3.757   6.521  1.00  1.72           O  
ATOM    862  CB  CYS A  54      -1.465  -0.967   7.811  1.00  1.67           C  
ATOM    863  SG  CYS A  54      -2.504  -0.324   6.447  1.00  1.65           S  
ATOM    864  H   CYS A  54      -0.752  -3.260   5.710  1.00  1.48           H  
ATOM    865  HA  CYS A  54      -0.288  -2.709   8.464  1.00  1.74           H  
ATOM    866  HB2 CYS A  54      -2.026  -0.890   8.745  1.00  1.75           H  
ATOM    867  HB3 CYS A  54      -0.607  -0.305   7.939  1.00  1.66           H  
ATOM    868  N   ASN A  55      -2.667  -3.613   8.818  1.00  1.92           N  
ATOM    869  CA  ASN A  55      -3.817  -4.506   8.959  1.00  2.04           C  
ATOM    870  C   ASN A  55      -5.014  -3.756   9.617  1.00  2.15           C  
ATOM    871  O   ASN A  55      -5.991  -4.313  10.090  1.00  2.23           O  
ATOM    872  CB  ASN A  55      -3.401  -5.864   9.574  1.00  2.15           C  
ATOM    873  CG  ASN A  55      -4.044  -6.097  10.929  1.00  2.23           C  
ATOM    874  OD1 ASN A  55      -3.633  -5.518  11.925  1.00  2.33           O  
ATOM    875  ND2 ASN A  55      -5.119  -6.877  10.906  1.00  2.41           N  
ATOM    876  H   ASN A  55      -2.181  -3.337   9.649  1.00  1.97           H  
ATOM    877  HA  ASN A  55      -4.152  -4.719   7.955  1.00  1.98           H  
ATOM    878  HB2 ASN A  55      -3.657  -6.687   8.910  1.00  2.10           H  
ATOM    879  HB3 ASN A  55      -2.323  -5.943   9.692  1.00  2.44           H  
ATOM    880 HD21 ASN A  55      -5.440  -7.261  10.035  1.00  2.40           H  
ATOM    881 HD22 ASN A  55      -5.582  -7.031  11.771  1.00  2.66           H  
ATOM    882  N   THR A  56      -4.931  -2.404   9.587  1.00  2.16           N  
ATOM    883  CA  THR A  56      -6.018  -1.705  10.276  1.00  2.29           C  
ATOM    884  C   THR A  56      -7.203  -1.550   9.295  1.00  2.33           C  
ATOM    885  O   THR A  56      -7.193  -2.094   8.204  1.00  2.43           O  
ATOM    886  CB  THR A  56      -5.492  -0.383  10.880  1.00  2.35           C  
ATOM    887  OG1 THR A  56      -5.010   0.576   9.934  1.00  2.37           O  
ATOM    888  CG2 THR A  56      -4.510  -0.689  12.029  1.00  2.42           C  
ATOM    889  H   THR A  56      -4.225  -1.918   9.081  1.00  2.11           H  
ATOM    890  HA  THR A  56      -6.350  -2.315  11.122  1.00  2.37           H  
ATOM    891  HB  THR A  56      -6.337   0.092  11.373  1.00  2.61           H  
ATOM    892  HG1 THR A  56      -4.052   0.537   9.884  1.00  2.28           H  
ATOM    893 HG21 THR A  56      -5.000  -1.307  12.775  1.00  2.52           H  
ATOM    894 HG22 THR A  56      -3.643  -1.268  11.705  1.00  2.68           H  
ATOM    895 HG23 THR A  56      -4.142   0.192  12.550  1.00  2.83           H  
ATOM    896  N   ASP A  57      -8.157  -0.668   9.678  1.00  2.40           N  
ATOM    897  CA  ASP A  57      -9.274  -0.211   8.820  1.00  2.47           C  
ATOM    898  C   ASP A  57      -8.926   0.038   7.346  1.00  2.42           C  
ATOM    899  O   ASP A  57      -9.789   0.008   6.483  1.00  2.71           O  
ATOM    900  CB  ASP A  57      -9.806   1.146   9.335  1.00  2.70           C  
ATOM    901  CG  ASP A  57     -10.797   0.865  10.433  1.00  3.09           C  
ATOM    902  OD1 ASP A  57     -10.378   0.349  11.454  1.00  3.39           O  
ATOM    903  OD2 ASP A  57     -11.975   1.125  10.229  1.00  3.41           O  
ATOM    904  H   ASP A  57      -8.213  -0.397  10.641  1.00  2.48           H  
ATOM    905  HA  ASP A  57     -10.047  -0.986   8.839  1.00  2.53           H  
ATOM    906  HB2 ASP A  57      -9.000   1.793   9.688  1.00  2.69           H  
ATOM    907  HB3 ASP A  57     -10.326   1.694   8.542  1.00  2.76           H  
ATOM    908  N   ARG A  58      -7.648   0.393   7.105  1.00  2.18           N  
ATOM    909  CA  ARG A  58      -7.262   0.856   5.776  1.00  2.17           C  
ATOM    910  C   ARG A  58      -6.532  -0.278   5.083  1.00  2.02           C  
ATOM    911  O   ARG A  58      -5.802  -0.052   4.121  1.00  2.02           O  
ATOM    912  CB  ARG A  58      -6.308   2.051   5.807  1.00  2.25           C  
ATOM    913  CG  ARG A  58      -6.686   3.090   6.818  1.00  2.35           C  
ATOM    914  CD  ARG A  58      -5.490   3.980   7.148  1.00  2.59           C  
ATOM    915  NE  ARG A  58      -5.501   4.072   8.618  1.00  2.43           N  
ATOM    916  CZ  ARG A  58      -4.755   4.890   9.377  1.00  2.67           C  
ATOM    917  NH1 ARG A  58      -4.162   5.971   8.922  1.00  3.08           N  
ATOM    918  NH2 ARG A  58      -4.656   4.644  10.698  1.00  3.04           N  
ATOM    919  H   ARG A  58      -6.939   0.077   7.732  1.00  2.10           H  
ATOM    920  HA  ARG A  58      -8.165   1.094   5.211  1.00  2.34           H  
ATOM    921  HB2 ARG A  58      -5.316   1.671   6.068  1.00  2.51           H  
ATOM    922  HB3 ARG A  58      -6.228   2.487   4.816  1.00  2.47           H  
ATOM    923  HG2 ARG A  58      -7.564   3.667   6.532  1.00  2.64           H  
ATOM    924  HG3 ARG A  58      -7.001   2.588   7.725  1.00  2.76           H  
ATOM    925  HD2 ARG A  58      -4.526   3.571   6.835  1.00  3.00           H  
ATOM    926  HD3 ARG A  58      -5.562   4.988   6.769  1.00  3.11           H  
ATOM    927  HE  ARG A  58      -6.182   3.495   9.091  1.00  2.55           H  
ATOM    928 HH11 ARG A  58      -3.261   5.858   8.439  1.00  3.38           H  
ATOM    929 HH12 ARG A  58      -4.560   6.869   9.109  1.00  3.39           H  
ATOM    930 HH21 ARG A  58      -5.069   3.794  11.063  1.00  3.33           H  
ATOM    931 HH22 ARG A  58      -4.174   5.309  11.242  1.00  3.33           H  
ATOM    932  N   CYS A  59      -6.777  -1.476   5.596  1.00  2.02           N  
ATOM    933  CA  CYS A  59      -6.073  -2.644   5.178  1.00  1.99           C  
ATOM    934  C   CYS A  59      -7.037  -3.853   5.367  1.00  2.09           C  
ATOM    935  O   CYS A  59      -7.687  -4.201   4.389  1.00  2.34           O  
ATOM    936  CB  CYS A  59      -4.710  -2.551   5.871  1.00  1.98           C  
ATOM    937  SG  CYS A  59      -4.394  -0.986   6.823  1.00  1.82           S  
ATOM    938  H   CYS A  59      -7.400  -1.614   6.364  1.00  2.12           H  
ATOM    939  HA  CYS A  59      -5.955  -2.540   4.106  1.00  2.02           H  
ATOM    940  HB2 CYS A  59      -4.683  -3.380   6.557  1.00  2.21           H  
ATOM    941  HB3 CYS A  59      -3.931  -2.679   5.116  1.00  2.09           H  
ATOM    942  N   ASN A  60      -7.211  -4.413   6.598  1.00  2.12           N  
ATOM    943  CA  ASN A  60      -8.115  -5.592   6.720  1.00  2.23           C  
ATOM    944  C   ASN A  60      -8.742  -5.746   8.120  1.00  2.61           C  
ATOM    945  O   ASN A  60      -9.494  -6.733   8.289  1.00  3.01           O  
ATOM    946  CB  ASN A  60      -7.378  -6.904   6.402  1.00  2.24           C  
ATOM    947  CG  ASN A  60      -6.326  -7.242   7.462  1.00  2.62           C  
ATOM    948  OD1 ASN A  60      -5.716  -6.321   7.933  1.00  3.09           O  
ATOM    949  ND2 ASN A  60      -6.209  -8.502   7.908  1.00  3.23           N  
ATOM    950  OXT ASN A  60      -8.536  -4.848   8.969  1.00  3.06           O  
ATOM    951  H   ASN A  60      -6.754  -4.153   7.462  1.00  2.23           H  
ATOM    952  HA  ASN A  60      -8.923  -5.440   5.977  1.00  2.50           H  
ATOM    953  HB2 ASN A  60      -7.997  -7.786   6.219  1.00  2.56           H  
ATOM    954  HB3 ASN A  60      -6.921  -6.609   5.475  1.00  2.45           H  
ATOM    955 HD21 ASN A  60      -6.520  -8.860   7.014  1.00  3.39           H  
ATOM    956 HD22 ASN A  60      -6.332  -9.467   8.141  1.00  3.88           H  
TER     957      ASN A  60                                                      
CONECT   54  341                                                                
CONECT  245  621                                                                
CONECT  341   54                                                                
CONECT  621  245                                                                
CONECT  678  853                                                                
CONECT  853  678                                                                
CONECT  863  937                                                                
CONECT  937  863                                                                
MASTER      149    0    0    0    5    0    0    6  468    1    8    5          
END