HEADER    COMPLEX (TOXIN/PEPTIDE)                 23-AUG-98   2BTX              
TITLE     SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A    
TITLE    2 LIBRARY DERIVED PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 MOL_ID: 2;                                                           
COMPND   5 MOLECULE: LIBRARY DERIVED PEPTIDE;                                   
COMPND   6 CHAIN: B;                                                            
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;                          
SOURCE   3 ORGANISM_COMMON: MANY-BANDED KRAIT;                                  
SOURCE   4 ORGANISM_TAXID: 8616;                                                
SOURCE   5 SECRETION: VENOM;                                                    
SOURCE   6 MOL_ID: 2                                                            
KEYWDS    COMPLEX (TOXIN-PEPTIDE), ALPHA-BUNGAROTOXIN, LIBRARY PEPTIDE, COMPLEX 
KEYWDS   2 (TOXIN-PEPTIDE) COMPLEX                                              
EXPDTA    SOLUTION NMR                                                          
AUTHOR    T.SCHERF,M.BALASS,S.FUCHS,E.KATCHALSKI-KATZIR,J.ANGLISTER             
REVDAT   5   09-MAR-22 2BTX    1       REMARK                                   
REVDAT   4   24-FEB-09 2BTX    1       VERSN                                    
REVDAT   3   30-SEP-03 2BTX    1       DBREF                                    
REVDAT   2   16-FEB-99 2BTX    1       SOURCE COMPND REMARK TITLE               
REVDAT   2 2                   1       EXPDTA KEYWDS HEADER                     
REVDAT   1   27-JAN-99 2BTX    0                                                
JRNL        AUTH   T.SCHERF,M.BALASS,S.FUCHS,E.KATCHALSKI-KATZIR,J.ANGLISTER    
JRNL        TITL   THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE COMPLEX OF       
JRNL        TITL 2 ALPHA-BUNGAROTOXIN WITH A LIBRARY-DERIVED PEPTIDE.           
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  94  6059 1997              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   9177168                                                      
JRNL        DOI    10.1073/PNAS.94.12.6059                                      
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   M.BALASS,E.KATCHALSKI-KATZIR,S.FUCHS                         
REMARK   1  TITL   THE ALPHA-BUNGAROTOXIN BINDING SITE ON THE NICOTINIC         
REMARK   1  TITL 2 ACETYLCHOLINE RECEPTOR: ANALYSIS USING A PHAGE-EPITOPE       
REMARK   1  TITL 3 LIBRARY                                                      
REMARK   1  REF    PROC.NATL.ACAD.SCI.USA        V.  94  6054 1997              
REMARK   1  REFN                   ISSN 0027-8424                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: DETAILS OF THE STRUCTURE DETERMINATION    
REMARK   3  AND ALL STRUCTURAL STATISTICS ARE GIVEN IN THE PAPER CITED ON *     
REMARK   3  JRNL* RECORDS ABOVE. THE STRUCTURE IS BASED ON 941                  
REMARK   3  INTRAMOLECULAR CONSTRAINTS WITHIN THE BOUND TOXIN (INCLUDING 291    
REMARK   3  LONG-RANGE INTERACTIONS), 98 INTRAPEPTIDE INTERACTIONS              
REMARK   3  (INCLUDING 7 LONG-RANGE INTERACTIONS), AND 62 INTERMOLECULAR        
REMARK   3  CONSTRAINTS BETWEEN THE BUNGAROTOXIN AND THE 13-RESIDUE PEPTIDE     
REMARK   3  USED IN THIS STUDY (LISTED HERE AS RESIDUES 75 B - 87 B).           
REMARK   4                                                                      
REMARK   4 2BTX 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_1000177880.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 5.8                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : COSY; DQF-COSY; TOCSY; NOESY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AM500; DMX600                      
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR                             
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY/ DYNAMICAL       
REMARK 210                                   SIMMULATED ANNEALING               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : MINIMIZED AVERAGE STRUCTURE        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 2D 1H-NMR                 
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    THR A   8      -94.52    -98.94                                   
REMARK 500    SER A   9     -157.46    -69.24                                   
REMARK 500    PRO A  10      -70.41    -75.77                                   
REMARK 500    ILE A  11      108.19   -173.54                                   
REMARK 500    TRP A  28      -99.00   -168.76                                   
REMARK 500    CYS A  29      127.41   -178.77                                   
REMARK 500    ASP A  30     -174.20    -68.74                                   
REMARK 500    CYS A  33       76.91     52.14                                   
REMARK 500    LYS A  38     -150.15    -90.77                                   
REMARK 500    VAL A  39     -158.88   -114.21                                   
REMARK 500    VAL A  40       84.55   -152.02                                   
REMARK 500    GLU A  41       75.94   -101.71                                   
REMARK 500    CYS A  48      100.72    -43.09                                   
REMARK 500    LYS A  51     -112.39   -125.03                                   
REMARK 500    LYS A  52      -70.50   -123.60                                   
REMARK 500    PRO A  53      -96.67    -67.41                                   
REMARK 500    GLU A  55       89.47    -68.99                                   
REMARK 500    CYS A  60      111.95   -170.66                                   
REMARK 500    HIS A  68      171.31    -52.44                                   
REMARK 500    LYS A  70      -24.99   -153.27                                   
REMARK 500    GLN A  71       87.95    -64.89                                   
REMARK 500    ARG A  72      128.36    178.70                                   
REMARK 500    TYR B   3       53.43   -104.81                                   
REMARK 500    TYR B   4     -174.96    -64.56                                   
REMARK 500    GLU B   5       32.28    -86.87                                   
REMARK 500    SER B   6       14.46   -153.52                                   
REMARK 500    SER B   7      173.45    174.46                                   
REMARK 500    LEU B   8      -31.78   -137.23                                   
REMARK 500    SER B  10      110.48    -35.13                                   
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  25         0.28    SIDE CHAIN                              
REMARK 500    ARG A  36         0.10    SIDE CHAIN                              
REMARK 500    ARG A  72         0.31    SIDE CHAIN                              
REMARK 500    ARG B   2         0.24    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2BTX A    1    74  UNP    P60615   NXL1A_BUNMU      1     74             
DBREF  2BTX B    1    13  PDB    2BTX     2BTX             1     13             
SEQRES   1 A   74  ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA          
SEQRES   2 A   74  VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS          
SEQRES   3 A   74  MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL          
SEQRES   4 A   74  VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS          
SEQRES   5 A   74  PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS          
SEQRES   6 A   74  ASN PRO HIS PRO LYS GLN ARG PRO GLY                          
SEQRES   1 B   13  MET ARG TYR TYR GLU SER SER LEU LYS SER TYR PRO ASP          
SHEET    1   A 2 VAL A   2  HIS A   4  0                                        
SHEET    2   A 2 ALA A  13  THR A  15 -1  N  VAL A  14   O  CYS A   3           
SHEET    1   B 3 GLU A  41  ALA A  45  0                                        
SHEET    2   B 3 LEU A  22  LYS A  26 -1  N  LYS A  26   O  GLU A  41           
SHEET    3   B 3 THR A  58  CYS A  60 -1  N  CYS A  60   O  CYS A  23           
SSBOND   1 CYS A    3    CYS A   23                          1555   1555  2.02  
SSBOND   2 CYS A   16    CYS A   44                          1555   1555  2.02  
SSBOND   3 CYS A   29    CYS A   33                          1555   1555  2.02  
SSBOND   4 CYS A   48    CYS A   59                          1555   1555  2.03  
SSBOND   5 CYS A   60    CYS A   65                          1555   1555  2.01  
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   ILE A   1       8.816  14.870  -1.044  1.00  1.23           N  
ATOM      2  CA  ILE A   1       7.467  14.759  -1.670  1.00  0.98           C  
ATOM      3  C   ILE A   1       6.480  14.116  -0.692  1.00  0.82           C  
ATOM      4  O   ILE A   1       6.697  14.098   0.504  1.00  0.94           O  
ATOM      5  CB  ILE A   1       7.670  13.864  -2.892  1.00  0.73           C  
ATOM      6  CG1 ILE A   1       8.370  12.571  -2.466  1.00  0.68           C  
ATOM      7  CG2 ILE A   1       8.533  14.593  -3.922  1.00  0.91           C  
ATOM      8  CD1 ILE A   1       8.243  11.529  -3.578  1.00  0.79           C  
ATOM      9  H1  ILE A   1       8.906  14.165  -0.286  1.00  1.75           H  
ATOM     10  H2  ILE A   1       9.547  14.697  -1.763  1.00  1.48           H  
ATOM     11  H3  ILE A   1       8.937  15.824  -0.648  1.00  1.65           H  
ATOM     12  HA  ILE A   1       7.114  15.730  -1.979  1.00  1.20           H  
ATOM     13  HB  ILE A   1       6.710  13.629  -3.330  1.00  0.72           H  
ATOM     14 HG12 ILE A   1       9.415  12.774  -2.279  1.00  0.92           H  
ATOM     15 HG13 ILE A   1       7.910  12.192  -1.566  1.00  0.84           H  
ATOM     16 HG21 ILE A   1       9.001  15.449  -3.458  1.00  1.49           H  
ATOM     17 HG22 ILE A   1       9.295  13.923  -4.293  1.00  1.33           H  
ATOM     18 HG23 ILE A   1       7.914  14.923  -4.743  1.00  1.35           H  
ATOM     19 HD11 ILE A   1       8.396  12.004  -4.536  1.00  1.26           H  
ATOM     20 HD12 ILE A   1       8.986  10.758  -3.436  1.00  1.10           H  
ATOM     21 HD13 ILE A   1       7.257  11.089  -3.548  1.00  1.46           H  
ATOM     22  N   VAL A   2       5.398  13.587  -1.192  1.00  0.70           N  
ATOM     23  CA  VAL A   2       4.394  12.942  -0.296  1.00  0.56           C  
ATOM     24  C   VAL A   2       4.034  11.559  -0.829  1.00  0.47           C  
ATOM     25  O   VAL A   2       4.191  11.274  -2.000  1.00  0.51           O  
ATOM     26  CB  VAL A   2       3.171  13.850  -0.351  1.00  0.58           C  
ATOM     27  CG1 VAL A   2       2.206  13.493   0.778  1.00  0.53           C  
ATOM     28  CG2 VAL A   2       3.608  15.307  -0.204  1.00  0.71           C  
ATOM     29  H   VAL A   2       5.244  13.612  -2.160  1.00  0.84           H  
ATOM     30  HA  VAL A   2       4.767  12.879   0.714  1.00  0.57           H  
ATOM     31  HB  VAL A   2       2.674  13.712  -1.295  1.00  0.62           H  
ATOM     32 HG11 VAL A   2       2.424  12.501   1.138  1.00  1.13           H  
ATOM     33 HG12 VAL A   2       2.316  14.203   1.584  1.00  1.15           H  
ATOM     34 HG13 VAL A   2       1.193  13.526   0.405  1.00  1.15           H  
ATOM     35 HG21 VAL A   2       4.184  15.417   0.702  1.00  1.05           H  
ATOM     36 HG22 VAL A   2       4.214  15.588  -1.053  1.00  1.22           H  
ATOM     37 HG23 VAL A   2       2.736  15.941  -0.157  1.00  0.98           H  
ATOM     38  N   CYS A   3       3.553  10.696   0.017  1.00  0.39           N  
ATOM     39  CA  CYS A   3       3.187   9.331  -0.452  1.00  0.35           C  
ATOM     40  C   CYS A   3       1.847   8.917   0.151  1.00  0.35           C  
ATOM     41  O   CYS A   3       1.452   9.412   1.186  1.00  0.37           O  
ATOM     42  CB  CYS A   3       4.290   8.406   0.053  1.00  0.31           C  
ATOM     43  SG  CYS A   3       5.927   9.153  -0.193  1.00  0.32           S  
ATOM     44  H   CYS A   3       3.441  10.938   0.953  1.00  0.41           H  
ATOM     45  HA  CYS A   3       3.143   9.301  -1.529  1.00  0.38           H  
ATOM     46  HB2 CYS A   3       4.136   8.205   1.099  1.00  0.33           H  
ATOM     47  HB3 CYS A   3       4.235   7.488  -0.494  1.00  0.31           H  
ATOM     48  N   HIS A   4       1.158   7.993  -0.466  1.00  0.37           N  
ATOM     49  CA  HIS A   4      -0.152   7.550   0.103  1.00  0.41           C  
ATOM     50  C   HIS A   4       0.059   6.353   1.009  1.00  0.40           C  
ATOM     51  O   HIS A   4       0.968   5.574   0.809  1.00  0.37           O  
ATOM     52  CB  HIS A   4      -1.018   7.135  -1.066  1.00  0.43           C  
ATOM     53  CG  HIS A   4      -1.064   8.218  -2.111  1.00  0.48           C  
ATOM     54  ND1 HIS A   4      -1.510   9.496  -1.831  1.00  0.64           N  
ATOM     55  CD2 HIS A   4      -0.747   8.220  -3.443  1.00  0.45           C  
ATOM     56  CE1 HIS A   4      -1.449  10.210  -2.970  1.00  0.70           C  
ATOM     57  NE2 HIS A   4      -0.989   9.478  -3.986  1.00  0.59           N  
ATOM     58  H   HIS A   4       1.513   7.575  -1.285  1.00  0.37           H  
ATOM     59  HA  HIS A   4      -0.626   8.338   0.628  1.00  0.43           H  
ATOM     60  HB2 HIS A   4      -0.619   6.243  -1.475  1.00  0.37           H  
ATOM     61  HB3 HIS A   4      -2.014   6.944  -0.711  1.00  0.53           H  
ATOM     62  HD1 HIS A   4      -1.828   9.816  -0.967  1.00  0.71           H  
ATOM     63  HD2 HIS A   4      -0.387   7.371  -3.990  1.00  0.40           H  
ATOM     64  HE1 HIS A   4      -1.737  11.247  -3.053  1.00  0.85           H  
ATOM     65  N   THR A   5      -0.769   6.172   1.993  1.00  0.43           N  
ATOM     66  CA  THR A   5      -0.572   4.993   2.862  1.00  0.43           C  
ATOM     67  C   THR A   5      -1.787   4.097   2.811  1.00  0.47           C  
ATOM     68  O   THR A   5      -2.852   4.398   3.315  1.00  0.52           O  
ATOM     69  CB  THR A   5      -0.338   5.465   4.294  1.00  0.45           C  
ATOM     70  OG1 THR A   5      -1.554   5.399   5.019  1.00  0.48           O  
ATOM     71  CG2 THR A   5       0.238   6.889   4.355  1.00  0.47           C  
ATOM     72  H   THR A   5      -1.517   6.791   2.152  1.00  0.46           H  
ATOM     73  HA  THR A   5       0.296   4.428   2.530  1.00  0.41           H  
ATOM     74  HB  THR A   5       0.361   4.785   4.731  1.00  0.45           H  
ATOM     75  HG1 THR A   5      -1.779   4.468   5.123  1.00  0.50           H  
ATOM     76 HG21 THR A   5      -0.407   7.562   3.810  1.00  1.11           H  
ATOM     77 HG22 THR A   5       0.302   7.207   5.386  1.00  1.07           H  
ATOM     78 HG23 THR A   5       1.223   6.898   3.914  1.00  1.15           H  
ATOM     79  N   THR A   6      -1.590   2.980   2.241  1.00  0.49           N  
ATOM     80  CA  THR A   6      -2.667   1.963   2.165  1.00  0.57           C  
ATOM     81  C   THR A   6      -2.512   1.014   3.349  1.00  0.58           C  
ATOM     82  O   THR A   6      -3.418   0.304   3.719  1.00  0.68           O  
ATOM     83  CB  THR A   6      -2.451   1.210   0.846  1.00  0.64           C  
ATOM     84  OG1 THR A   6      -1.118   1.387   0.405  1.00  0.98           O  
ATOM     85  CG2 THR A   6      -3.410   1.749  -0.214  1.00  0.77           C  
ATOM     86  H   THR A   6      -0.700   2.794   1.903  1.00  0.49           H  
ATOM     87  HA  THR A   6      -3.639   2.433   2.176  1.00  0.59           H  
ATOM     88  HB  THR A   6      -2.636   0.156   0.995  1.00  0.59           H  
ATOM     89  HG1 THR A   6      -0.528   1.113   1.117  1.00  0.74           H  
ATOM     90 HG21 THR A   6      -3.287   2.820  -0.297  1.00  1.20           H  
ATOM     91 HG22 THR A   6      -3.191   1.286  -1.164  1.00  1.31           H  
ATOM     92 HG23 THR A   6      -4.426   1.523   0.073  1.00  1.39           H  
ATOM     93  N   ALA A   7      -1.340   0.974   3.918  1.00  0.53           N  
ATOM     94  CA  ALA A   7      -1.092   0.044   5.046  1.00  0.59           C  
ATOM     95  C   ALA A   7      -1.350   0.689   6.414  1.00  0.68           C  
ATOM     96  O   ALA A   7      -1.640   0.006   7.376  1.00  0.69           O  
ATOM     97  CB  ALA A   7       0.370  -0.360   4.873  1.00  0.56           C  
ATOM     98  H   ALA A   7      -0.613   1.538   3.585  1.00  0.49           H  
ATOM     99  HA  ALA A   7      -1.716  -0.814   4.937  1.00  0.65           H  
ATOM    100  HB1 ALA A   7       0.890   0.419   4.326  1.00  1.25           H  
ATOM    101  HB2 ALA A   7       0.828  -0.490   5.842  1.00  1.04           H  
ATOM    102  HB3 ALA A   7       0.423  -1.293   4.317  1.00  1.17           H  
ATOM    103  N   THR A   8      -1.260   1.983   6.524  1.00  0.90           N  
ATOM    104  CA  THR A   8      -1.519   2.619   7.849  1.00  1.06           C  
ATOM    105  C   THR A   8      -2.951   3.161   7.878  1.00  1.24           C  
ATOM    106  O   THR A   8      -3.887   2.439   8.159  1.00  1.27           O  
ATOM    107  CB  THR A   8      -0.495   3.750   7.963  1.00  1.37           C  
ATOM    108  OG1 THR A   8      -0.280   4.323   6.682  1.00  1.66           O  
ATOM    109  CG2 THR A   8       0.823   3.195   8.504  1.00  1.48           C  
ATOM    110  H   THR A   8      -1.032   2.532   5.745  1.00  1.05           H  
ATOM    111  HA  THR A   8      -1.371   1.904   8.644  1.00  0.96           H  
ATOM    112  HB  THR A   8      -0.866   4.506   8.638  1.00  1.45           H  
ATOM    113  HG1 THR A   8      -0.290   5.278   6.779  1.00  2.09           H  
ATOM    114 HG21 THR A   8       1.124   2.343   7.913  1.00  1.83           H  
ATOM    115 HG22 THR A   8       1.585   3.958   8.450  1.00  1.86           H  
ATOM    116 HG23 THR A   8       0.690   2.891   9.532  1.00  1.81           H  
ATOM    117  N   SER A   9      -3.140   4.412   7.565  1.00  1.59           N  
ATOM    118  CA  SER A   9      -4.520   4.968   7.550  1.00  1.87           C  
ATOM    119  C   SER A   9      -5.273   4.334   6.369  1.00  1.53           C  
ATOM    120  O   SER A   9      -4.884   3.275   5.919  1.00  2.01           O  
ATOM    121  CB  SER A   9      -4.309   6.468   7.369  1.00  2.44           C  
ATOM    122  OG  SER A   9      -3.170   6.874   8.116  1.00  2.89           O  
ATOM    123  H   SER A   9      -2.381   4.980   7.319  1.00  1.77           H  
ATOM    124  HA  SER A   9      -5.025   4.765   8.483  1.00  2.17           H  
ATOM    125  HB2 SER A   9      -4.147   6.689   6.327  1.00  3.00           H  
ATOM    126  HB3 SER A   9      -5.187   6.999   7.715  1.00  2.61           H  
ATOM    127  HG  SER A   9      -2.824   7.676   7.717  1.00  3.29           H  
ATOM    128  N   PRO A  10      -6.315   4.968   5.880  1.00  0.92           N  
ATOM    129  CA  PRO A  10      -7.044   4.374   4.740  1.00  0.93           C  
ATOM    130  C   PRO A  10      -6.234   4.582   3.464  1.00  0.91           C  
ATOM    131  O   PRO A  10      -5.659   3.665   2.914  1.00  1.81           O  
ATOM    132  CB  PRO A  10      -8.365   5.136   4.712  1.00  1.00           C  
ATOM    133  CG  PRO A  10      -8.098   6.438   5.397  1.00  0.94           C  
ATOM    134  CD  PRO A  10      -6.903   6.252   6.303  1.00  0.83           C  
ATOM    135  HA  PRO A  10      -7.224   3.329   4.910  1.00  1.40           H  
ATOM    136  HB2 PRO A  10      -8.675   5.306   3.690  1.00  1.25           H  
ATOM    137  HB3 PRO A  10      -9.120   4.590   5.245  1.00  1.32           H  
ATOM    138  HG2 PRO A  10      -7.891   7.204   4.663  1.00  1.16           H  
ATOM    139  HG3 PRO A  10      -8.956   6.722   5.988  1.00  1.25           H  
ATOM    140  HD2 PRO A  10      -6.211   7.064   6.146  1.00  1.24           H  
ATOM    141  HD3 PRO A  10      -7.210   6.203   7.336  1.00  0.91           H  
ATOM    142  N   ILE A  11      -6.164   5.792   3.019  1.00  0.78           N  
ATOM    143  CA  ILE A  11      -5.382   6.117   1.818  1.00  0.64           C  
ATOM    144  C   ILE A  11      -5.367   7.630   1.650  1.00  0.56           C  
ATOM    145  O   ILE A  11      -6.351   8.256   1.310  1.00  0.60           O  
ATOM    146  CB  ILE A  11      -6.054   5.335   0.675  1.00  0.70           C  
ATOM    147  CG1 ILE A  11      -4.970   4.398   0.114  1.00  0.74           C  
ATOM    148  CG2 ILE A  11      -6.629   6.252  -0.438  1.00  0.65           C  
ATOM    149  CD1 ILE A  11      -5.288   3.949  -1.318  1.00  0.74           C  
ATOM    150  H   ILE A  11      -6.611   6.498   3.492  1.00  1.48           H  
ATOM    151  HA  ILE A  11      -4.369   5.764   1.945  1.00  0.64           H  
ATOM    152  HB  ILE A  11      -6.852   4.748   1.100  1.00  0.82           H  
ATOM    153 HG12 ILE A  11      -4.024   4.923   0.121  1.00  0.74           H  
ATOM    154 HG13 ILE A  11      -4.895   3.529   0.751  1.00  0.84           H  
ATOM    155 HG21 ILE A  11      -5.882   6.975  -0.729  1.00  1.13           H  
ATOM    156 HG22 ILE A  11      -6.899   5.651  -1.295  1.00  1.12           H  
ATOM    157 HG23 ILE A  11      -7.504   6.766  -0.066  1.00  1.20           H  
ATOM    158 HD11 ILE A  11      -5.517   4.817  -1.922  1.00  1.26           H  
ATOM    159 HD12 ILE A  11      -4.430   3.440  -1.731  1.00  1.26           H  
ATOM    160 HD13 ILE A  11      -6.137   3.282  -1.305  1.00  1.15           H  
ATOM    161  N   SER A  12      -4.246   8.200   1.902  1.00  0.51           N  
ATOM    162  CA  SER A  12      -4.102   9.667   1.787  1.00  0.51           C  
ATOM    163  C   SER A  12      -2.633   9.975   1.592  1.00  0.47           C  
ATOM    164  O   SER A  12      -1.778   9.278   2.114  1.00  0.44           O  
ATOM    165  CB  SER A  12      -4.609  10.228   3.115  1.00  0.62           C  
ATOM    166  OG  SER A  12      -3.800   9.733   4.173  1.00  1.15           O  
ATOM    167  H   SER A  12      -3.479   7.649   2.173  1.00  0.51           H  
ATOM    168  HA  SER A  12      -4.688  10.048   0.966  1.00  0.53           H  
ATOM    169  HB2 SER A  12      -4.554  11.303   3.099  1.00  0.83           H  
ATOM    170  HB3 SER A  12      -5.638   9.925   3.262  1.00  0.98           H  
ATOM    171  HG  SER A  12      -4.056  10.185   4.979  1.00  1.58           H  
ATOM    172  N   ALA A  13      -2.322  10.981   0.833  1.00  0.50           N  
ATOM    173  CA  ALA A  13      -0.894  11.290   0.598  1.00  0.50           C  
ATOM    174  C   ALA A  13      -0.372  12.271   1.623  1.00  0.52           C  
ATOM    175  O   ALA A  13      -0.589  13.462   1.523  1.00  0.67           O  
ATOM    176  CB  ALA A  13      -0.821  11.923  -0.777  1.00  0.56           C  
ATOM    177  H   ALA A  13      -3.023  11.516   0.406  1.00  0.54           H  
ATOM    178  HA  ALA A  13      -0.317  10.388   0.610  1.00  0.49           H  
ATOM    179  HB1 ALA A  13      -1.801  11.933  -1.222  1.00  1.14           H  
ATOM    180  HB2 ALA A  13      -0.451  12.935  -0.677  1.00  1.28           H  
ATOM    181  HB3 ALA A  13      -0.145  11.350  -1.392  1.00  1.08           H  
ATOM    182  N   VAL A  14       0.345  11.800   2.586  1.00  0.50           N  
ATOM    183  CA  VAL A  14       0.903  12.742   3.571  1.00  0.56           C  
ATOM    184  C   VAL A  14       2.418  12.715   3.471  1.00  0.53           C  
ATOM    185  O   VAL A  14       3.028  11.693   3.204  1.00  0.49           O  
ATOM    186  CB  VAL A  14       0.414  12.295   4.969  1.00  0.65           C  
ATOM    187  CG1 VAL A  14      -1.024  11.797   4.878  1.00  0.76           C  
ATOM    188  CG2 VAL A  14       1.308  11.181   5.541  1.00  0.71           C  
ATOM    189  H   VAL A  14       0.540  10.841   2.643  1.00  0.54           H  
ATOM    190  HA  VAL A  14       0.542  13.738   3.365  1.00  0.62           H  
ATOM    191  HB  VAL A  14       0.444  13.147   5.634  1.00  0.71           H  
ATOM    192 HG11 VAL A  14      -1.600  12.487   4.279  1.00  1.18           H  
ATOM    193 HG12 VAL A  14      -1.038  10.821   4.418  1.00  1.31           H  
ATOM    194 HG13 VAL A  14      -1.447  11.738   5.868  1.00  1.30           H  
ATOM    195 HG21 VAL A  14       2.332  11.541   5.590  1.00  1.29           H  
ATOM    196 HG22 VAL A  14       0.970  10.919   6.532  1.00  1.29           H  
ATOM    197 HG23 VAL A  14       1.261  10.314   4.900  1.00  1.18           H  
ATOM    198  N   THR A  15       3.017  13.822   3.696  1.00  0.61           N  
ATOM    199  CA  THR A  15       4.492  13.872   3.652  1.00  0.64           C  
ATOM    200  C   THR A  15       5.037  12.895   4.696  1.00  0.68           C  
ATOM    201  O   THR A  15       4.424  12.680   5.723  1.00  0.87           O  
ATOM    202  CB  THR A  15       4.833  15.302   4.034  1.00  0.74           C  
ATOM    203  OG1 THR A  15       4.025  16.197   3.281  1.00  0.78           O  
ATOM    204  CG2 THR A  15       6.308  15.566   3.743  1.00  0.85           C  
ATOM    205  H   THR A  15       2.491  14.619   3.906  1.00  0.67           H  
ATOM    206  HA  THR A  15       4.861  13.638   2.668  1.00  0.66           H  
ATOM    207  HB  THR A  15       4.641  15.436   5.087  1.00  0.80           H  
ATOM    208  HG1 THR A  15       4.012  17.041   3.737  1.00  1.25           H  
ATOM    209 HG21 THR A  15       6.666  14.840   3.026  1.00  1.32           H  
ATOM    210 HG22 THR A  15       6.422  16.560   3.336  1.00  1.20           H  
ATOM    211 HG23 THR A  15       6.877  15.482   4.656  1.00  1.39           H  
ATOM    212  N   CYS A  16       6.164  12.291   4.455  1.00  0.71           N  
ATOM    213  CA  CYS A  16       6.699  11.326   5.459  1.00  0.82           C  
ATOM    214  C   CYS A  16       7.898  11.926   6.203  1.00  1.14           C  
ATOM    215  O   CYS A  16       8.409  12.963   5.830  1.00  1.46           O  
ATOM    216  CB  CYS A  16       7.106  10.095   4.648  1.00  0.79           C  
ATOM    217  SG  CYS A  16       5.795   8.848   4.769  1.00  1.37           S  
ATOM    218  H   CYS A  16       6.651  12.461   3.622  1.00  0.81           H  
ATOM    219  HA  CYS A  16       5.926  11.058   6.161  1.00  0.94           H  
ATOM    220  HB2 CYS A  16       7.247  10.373   3.614  1.00  1.02           H  
ATOM    221  HB3 CYS A  16       8.026   9.690   5.043  1.00  0.79           H  
ATOM    222  N   PRO A  17       8.295  11.246   7.246  1.00  1.64           N  
ATOM    223  CA  PRO A  17       9.437  11.707   8.079  1.00  2.00           C  
ATOM    224  C   PRO A  17      10.759  11.572   7.320  1.00  1.51           C  
ATOM    225  O   PRO A  17      10.798  11.039   6.229  1.00  1.82           O  
ATOM    226  CB  PRO A  17       9.400  10.768   9.285  1.00  2.99           C  
ATOM    227  CG  PRO A  17       8.700   9.542   8.797  1.00  3.18           C  
ATOM    228  CD  PRO A  17       7.724   9.989   7.743  1.00  2.32           C  
ATOM    229  HA  PRO A  17       9.286  12.724   8.402  1.00  2.35           H  
ATOM    230  HB2 PRO A  17      10.405  10.526   9.602  1.00  3.16           H  
ATOM    231  HB3 PRO A  17       8.845  11.214  10.094  1.00  3.58           H  
ATOM    232  HG2 PRO A  17       9.417   8.852   8.374  1.00  3.37           H  
ATOM    233  HG3 PRO A  17       8.169   9.072   9.610  1.00  3.94           H  
ATOM    234  HD2 PRO A  17       7.663   9.255   6.950  1.00  2.29           H  
ATOM    235  HD3 PRO A  17       6.752  10.166   8.174  1.00  2.56           H  
ATOM    236  N   PRO A  18      11.803  12.062   7.933  1.00  1.65           N  
ATOM    237  CA  PRO A  18      13.154  12.000   7.318  1.00  1.98           C  
ATOM    238  C   PRO A  18      13.628  10.549   7.210  1.00  1.64           C  
ATOM    239  O   PRO A  18      13.541   9.781   8.148  1.00  2.15           O  
ATOM    240  CB  PRO A  18      14.024  12.798   8.289  1.00  2.95           C  
ATOM    241  CG  PRO A  18      13.296  12.723   9.590  1.00  3.09           C  
ATOM    242  CD  PRO A  18      11.832  12.713   9.247  1.00  2.38           C  
ATOM    243  HA  PRO A  18      13.153  12.473   6.349  1.00  2.29           H  
ATOM    244  HB2 PRO A  18      15.004  12.347   8.373  1.00  3.31           H  
ATOM    245  HB3 PRO A  18      14.105  13.824   7.968  1.00  3.43           H  
ATOM    246  HG2 PRO A  18      13.565  11.815  10.113  1.00  3.31           H  
ATOM    247  HG3 PRO A  18      13.524  13.586  10.196  1.00  3.77           H  
ATOM    248  HD2 PRO A  18      11.275  12.143   9.977  1.00  2.60           H  
ATOM    249  HD3 PRO A  18      11.450  13.719   9.173  1.00  2.59           H  
ATOM    250  N   GLY A  19      14.119  10.171   6.065  1.00  1.51           N  
ATOM    251  CA  GLY A  19      14.591   8.773   5.867  1.00  1.35           C  
ATOM    252  C   GLY A  19      14.113   8.304   4.497  1.00  0.96           C  
ATOM    253  O   GLY A  19      14.893   8.106   3.588  1.00  1.36           O  
ATOM    254  H   GLY A  19      14.169  10.810   5.322  1.00  2.04           H  
ATOM    255  HA2 GLY A  19      15.671   8.744   5.910  1.00  1.59           H  
ATOM    256  HA3 GLY A  19      14.176   8.135   6.630  1.00  1.61           H  
ATOM    257  N   GLU A  20      12.829   8.151   4.336  1.00  0.60           N  
ATOM    258  CA  GLU A  20      12.292   7.729   3.026  1.00  0.76           C  
ATOM    259  C   GLU A  20      12.470   8.867   2.024  1.00  0.74           C  
ATOM    260  O   GLU A  20      11.812   9.885   2.103  1.00  1.13           O  
ATOM    261  CB  GLU A  20      10.817   7.469   3.304  1.00  1.18           C  
ATOM    262  CG  GLU A  20      10.683   6.146   4.056  1.00  2.12           C  
ATOM    263  CD  GLU A  20      10.790   6.403   5.561  1.00  2.96           C  
ATOM    264  OE1 GLU A  20       9.969   7.142   6.076  1.00  3.52           O  
ATOM    265  OE2 GLU A  20      11.693   5.855   6.172  1.00  3.45           O  
ATOM    266  H   GLU A  20      12.213   8.327   5.072  1.00  0.80           H  
ATOM    267  HA  GLU A  20      12.776   6.831   2.683  1.00  1.05           H  
ATOM    268  HB2 GLU A  20      10.419   8.271   3.909  1.00  1.58           H  
ATOM    269  HB3 GLU A  20      10.276   7.416   2.376  1.00  1.43           H  
ATOM    270  HG2 GLU A  20       9.727   5.699   3.834  1.00  2.44           H  
ATOM    271  HG3 GLU A  20      11.476   5.480   3.750  1.00  2.46           H  
ATOM    272  N   ASN A  21      13.366   8.712   1.093  1.00  0.53           N  
ATOM    273  CA  ASN A  21      13.594   9.795   0.102  1.00  0.61           C  
ATOM    274  C   ASN A  21      12.477   9.799  -0.940  1.00  0.51           C  
ATOM    275  O   ASN A  21      12.365  10.709  -1.737  1.00  0.64           O  
ATOM    276  CB  ASN A  21      14.939   9.465  -0.544  1.00  0.75           C  
ATOM    277  CG  ASN A  21      15.966   9.121   0.541  1.00  1.13           C  
ATOM    278  OD1 ASN A  21      16.979   8.512   0.260  1.00  1.61           O  
ATOM    279  ND2 ASN A  21      15.751   9.487   1.778  1.00  1.27           N  
ATOM    280  H   ASN A  21      13.893   7.889   1.049  1.00  0.61           H  
ATOM    281  HA  ASN A  21      13.650  10.751   0.598  1.00  0.76           H  
ATOM    282  HB2 ASN A  21      14.821   8.621  -1.208  1.00  0.75           H  
ATOM    283  HB3 ASN A  21      15.286  10.317  -1.105  1.00  0.99           H  
ATOM    284 HD21 ASN A  21      14.936   9.978   2.013  1.00  1.25           H  
ATOM    285 HD22 ASN A  21      16.407   9.269   2.473  1.00  1.60           H  
ATOM    286  N   LEU A  22      11.646   8.794  -0.942  1.00  0.34           N  
ATOM    287  CA  LEU A  22      10.542   8.762  -1.939  1.00  0.31           C  
ATOM    288  C   LEU A  22       9.390   7.890  -1.450  1.00  0.28           C  
ATOM    289  O   LEU A  22       9.317   7.512  -0.299  1.00  0.32           O  
ATOM    290  CB  LEU A  22      11.155   8.157  -3.201  1.00  0.35           C  
ATOM    291  CG  LEU A  22      11.622   6.726  -2.923  1.00  0.34           C  
ATOM    292  CD1 LEU A  22      10.900   5.756  -3.865  1.00  0.36           C  
ATOM    293  CD2 LEU A  22      13.128   6.635  -3.168  1.00  0.49           C  
ATOM    294  H   LEU A  22      11.747   8.066  -0.292  1.00  0.33           H  
ATOM    295  HA  LEU A  22      10.195   9.761  -2.145  1.00  0.39           H  
ATOM    296  HB2 LEU A  22      10.413   8.145  -3.984  1.00  0.43           H  
ATOM    297  HB3 LEU A  22      11.997   8.754  -3.511  1.00  0.45           H  
ATOM    298  HG  LEU A  22      11.404   6.466  -1.898  1.00  0.39           H  
ATOM    299 HD11 LEU A  22      10.030   6.242  -4.284  1.00  0.96           H  
ATOM    300 HD12 LEU A  22      11.565   5.462  -4.663  1.00  0.99           H  
ATOM    301 HD13 LEU A  22      10.587   4.876  -3.314  1.00  0.97           H  
ATOM    302 HD21 LEU A  22      13.444   7.477  -3.768  1.00  1.28           H  
ATOM    303 HD22 LEU A  22      13.648   6.651  -2.222  1.00  1.11           H  
ATOM    304 HD23 LEU A  22      13.352   5.717  -3.689  1.00  1.04           H  
ATOM    305  N   CYS A  23       8.494   7.571  -2.334  1.00  0.29           N  
ATOM    306  CA  CYS A  23       7.335   6.722  -1.973  1.00  0.26           C  
ATOM    307  C   CYS A  23       7.531   5.338  -2.570  1.00  0.29           C  
ATOM    308  O   CYS A  23       8.490   5.089  -3.266  1.00  0.35           O  
ATOM    309  CB  CYS A  23       6.142   7.403  -2.618  1.00  0.29           C  
ATOM    310  SG  CYS A  23       6.143   9.161  -2.197  1.00  0.33           S  
ATOM    311  H   CYS A  23       8.585   7.891  -3.249  1.00  0.36           H  
ATOM    312  HA  CYS A  23       7.209   6.673  -0.909  1.00  0.25           H  
ATOM    313  HB2 CYS A  23       6.210   7.284  -3.680  1.00  0.34           H  
ATOM    314  HB3 CYS A  23       5.236   6.948  -2.264  1.00  0.28           H  
ATOM    315  N   TYR A  24       6.635   4.432  -2.334  1.00  0.27           N  
ATOM    316  CA  TYR A  24       6.827   3.091  -2.925  1.00  0.31           C  
ATOM    317  C   TYR A  24       5.515   2.346  -3.077  1.00  0.32           C  
ATOM    318  O   TYR A  24       4.474   2.800  -2.673  1.00  0.54           O  
ATOM    319  CB  TYR A  24       7.766   2.351  -1.974  1.00  0.34           C  
ATOM    320  CG  TYR A  24       7.017   1.921  -0.739  1.00  0.33           C  
ATOM    321  CD1 TYR A  24       6.923   2.779   0.353  1.00  1.25           C  
ATOM    322  CD2 TYR A  24       6.423   0.660  -0.696  1.00  1.21           C  
ATOM    323  CE1 TYR A  24       6.231   2.377   1.503  1.00  1.26           C  
ATOM    324  CE2 TYR A  24       5.731   0.254   0.450  1.00  1.22           C  
ATOM    325  CZ  TYR A  24       5.636   1.112   1.551  1.00  0.39           C  
ATOM    326  OH  TYR A  24       4.952   0.713   2.682  1.00  0.45           O  
ATOM    327  H   TYR A  24       5.848   4.635  -1.796  1.00  0.26           H  
ATOM    328  HA  TYR A  24       7.291   3.189  -3.872  1.00  0.35           H  
ATOM    329  HB2 TYR A  24       8.157   1.481  -2.471  1.00  0.39           H  
ATOM    330  HB3 TYR A  24       8.579   3.000  -1.693  1.00  0.35           H  
ATOM    331  HD1 TYR A  24       7.379   3.753   0.306  1.00  2.14           H  
ATOM    332  HD2 TYR A  24       6.499   0.002  -1.549  1.00  2.11           H  
ATOM    333  HE1 TYR A  24       6.161   3.037   2.353  1.00  2.16           H  
ATOM    334  HE2 TYR A  24       5.273  -0.721   0.486  1.00  2.11           H  
ATOM    335  HH  TYR A  24       4.322   1.402   2.906  1.00  0.96           H  
ATOM    336  N   ARG A  25       5.576   1.196  -3.664  1.00  0.25           N  
ATOM    337  CA  ARG A  25       4.335   0.397  -3.856  1.00  0.27           C  
ATOM    338  C   ARG A  25       4.608  -1.071  -3.501  1.00  0.30           C  
ATOM    339  O   ARG A  25       5.308  -1.751  -4.218  1.00  0.32           O  
ATOM    340  CB  ARG A  25       4.012   0.501  -5.353  1.00  0.31           C  
ATOM    341  CG  ARG A  25       4.173   1.942  -5.855  1.00  0.40           C  
ATOM    342  CD  ARG A  25       4.263   1.930  -7.383  1.00  0.89           C  
ATOM    343  NE  ARG A  25       3.254   2.925  -7.839  1.00  1.22           N  
ATOM    344  CZ  ARG A  25       2.888   2.953  -9.091  1.00  1.59           C  
ATOM    345  NH1 ARG A  25       3.757   3.247 -10.019  1.00  2.17           N  
ATOM    346  NH2 ARG A  25       1.652   2.686  -9.415  1.00  2.09           N  
ATOM    347  H   ARG A  25       6.445   0.861  -3.985  1.00  0.37           H  
ATOM    348  HA  ARG A  25       3.530   0.808  -3.263  1.00  0.26           H  
ATOM    349  HB2 ARG A  25       4.684  -0.141  -5.903  1.00  0.40           H  
ATOM    350  HB3 ARG A  25       2.997   0.175  -5.521  1.00  0.35           H  
ATOM    351  HG2 ARG A  25       3.322   2.528  -5.548  1.00  0.70           H  
ATOM    352  HG3 ARG A  25       5.073   2.376  -5.452  1.00  0.82           H  
ATOM    353  HD2 ARG A  25       5.254   2.223  -7.701  1.00  1.61           H  
ATOM    354  HD3 ARG A  25       4.017   0.952  -7.767  1.00  1.63           H  
ATOM    355  HE  ARG A  25       2.866   3.559  -7.200  1.00  1.84           H  
ATOM    356 HH11 ARG A  25       4.703   3.451  -9.771  1.00  2.56           H  
ATOM    357 HH12 ARG A  25       3.475   3.269 -10.978  1.00  2.58           H  
ATOM    358 HH21 ARG A  25       0.986   2.459  -8.705  1.00  2.48           H  
ATOM    359 HH22 ARG A  25       1.371   2.707 -10.375  1.00  2.45           H  
ATOM    360  N   LYS A  26       4.068  -1.593  -2.430  1.00  0.32           N  
ATOM    361  CA  LYS A  26       4.350  -3.020  -2.124  1.00  0.36           C  
ATOM    362  C   LYS A  26       3.188  -3.888  -2.555  1.00  0.37           C  
ATOM    363  O   LYS A  26       2.084  -3.428  -2.768  1.00  0.40           O  
ATOM    364  CB  LYS A  26       4.536  -3.125  -0.608  1.00  0.39           C  
ATOM    365  CG  LYS A  26       5.986  -3.500  -0.302  1.00  0.45           C  
ATOM    366  CD  LYS A  26       6.276  -3.271   1.182  1.00  0.66           C  
ATOM    367  CE  LYS A  26       7.129  -2.012   1.354  1.00  0.86           C  
ATOM    368  NZ  LYS A  26       8.427  -2.497   1.900  1.00  1.21           N  
ATOM    369  H   LYS A  26       3.478  -1.068  -1.849  1.00  0.33           H  
ATOM    370  HA  LYS A  26       5.255  -3.337  -2.625  1.00  0.39           H  
ATOM    371  HB2 LYS A  26       4.297  -2.190  -0.144  1.00  0.40           H  
ATOM    372  HB3 LYS A  26       3.884  -3.890  -0.221  1.00  0.42           H  
ATOM    373  HG2 LYS A  26       6.143  -4.541  -0.543  1.00  0.60           H  
ATOM    374  HG3 LYS A  26       6.647  -2.890  -0.894  1.00  0.48           H  
ATOM    375  HD2 LYS A  26       5.345  -3.151   1.716  1.00  1.21           H  
ATOM    376  HD3 LYS A  26       6.810  -4.121   1.577  1.00  1.35           H  
ATOM    377  HE2 LYS A  26       7.276  -1.526   0.400  1.00  1.44           H  
ATOM    378  HE3 LYS A  26       6.663  -1.336   2.054  1.00  1.42           H  
ATOM    379  HZ1 LYS A  26       8.624  -3.449   1.528  1.00  1.85           H  
ATOM    380  HZ2 LYS A  26       9.187  -1.848   1.614  1.00  1.67           H  
ATOM    381  HZ3 LYS A  26       8.377  -2.532   2.937  1.00  1.52           H  
ATOM    382  N   MET A  27       3.436  -5.148  -2.662  1.00  0.38           N  
ATOM    383  CA  MET A  27       2.368  -6.087  -3.055  1.00  0.43           C  
ATOM    384  C   MET A  27       2.705  -7.454  -2.514  1.00  0.45           C  
ATOM    385  O   MET A  27       3.856  -7.799  -2.332  1.00  0.55           O  
ATOM    386  CB  MET A  27       2.339  -6.076  -4.582  1.00  0.46           C  
ATOM    387  CG  MET A  27       1.004  -5.504  -5.063  1.00  0.52           C  
ATOM    388  SD  MET A  27       0.967  -5.495  -6.872  1.00  0.94           S  
ATOM    389  CE  MET A  27      -0.433  -4.365  -7.063  1.00  1.77           C  
ATOM    390  H   MET A  27       4.332  -5.484  -2.462  1.00  0.38           H  
ATOM    391  HA  MET A  27       1.427  -5.761  -2.650  1.00  0.46           H  
ATOM    392  HB2 MET A  27       3.149  -5.464  -4.953  1.00  0.46           H  
ATOM    393  HB3 MET A  27       2.451  -7.084  -4.952  1.00  0.49           H  
ATOM    394  HG2 MET A  27       0.195  -6.114  -4.689  1.00  0.62           H  
ATOM    395  HG3 MET A  27       0.892  -4.494  -4.695  1.00  0.60           H  
ATOM    396  HE1 MET A  27      -0.750  -4.018  -6.089  1.00  2.31           H  
ATOM    397  HE2 MET A  27      -0.135  -3.524  -7.672  1.00  2.28           H  
ATOM    398  HE3 MET A  27      -1.250  -4.881  -7.542  1.00  2.30           H  
ATOM    399  N   TRP A  28       1.715  -8.215  -2.193  1.00  0.47           N  
ATOM    400  CA  TRP A  28       1.997  -9.533  -1.591  1.00  0.50           C  
ATOM    401  C   TRP A  28       0.722 -10.395  -1.539  1.00  0.58           C  
ATOM    402  O   TRP A  28       0.329 -10.990  -2.520  1.00  1.21           O  
ATOM    403  CB  TRP A  28       2.538  -9.191  -0.182  1.00  0.48           C  
ATOM    404  CG  TRP A  28       1.907  -7.947   0.449  1.00  0.43           C  
ATOM    405  CD1 TRP A  28       0.576  -7.643   0.531  1.00  0.52           C  
ATOM    406  CD2 TRP A  28       2.600  -6.843   1.095  1.00  0.37           C  
ATOM    407  NE1 TRP A  28       0.430  -6.449   1.226  1.00  0.50           N  
ATOM    408  CE2 TRP A  28       1.649  -5.917   1.583  1.00  0.41           C  
ATOM    409  CE3 TRP A  28       3.953  -6.571   1.309  1.00  0.37           C  
ATOM    410  CZ2 TRP A  28       2.038  -4.763   2.265  1.00  0.44           C  
ATOM    411  CZ3 TRP A  28       4.353  -5.411   1.988  1.00  0.44           C  
ATOM    412  CH2 TRP A  28       3.396  -4.509   2.469  1.00  0.46           C  
ATOM    413  H   TRP A  28       0.796  -7.903  -2.296  1.00  0.54           H  
ATOM    414  HA  TRP A  28       2.763 -10.041  -2.156  1.00  0.55           H  
ATOM    415  HB2 TRP A  28       2.349 -10.017   0.456  1.00  0.50           H  
ATOM    416  HB3 TRP A  28       3.606  -9.043  -0.249  1.00  0.58           H  
ATOM    417  HD1 TRP A  28      -0.237  -8.232   0.141  1.00  0.63           H  
ATOM    418  HE1 TRP A  28      -0.428  -6.014   1.443  1.00  0.58           H  
ATOM    419  HE3 TRP A  28       4.691  -7.251   0.931  1.00  0.40           H  
ATOM    420  HZ2 TRP A  28       1.294  -4.074   2.635  1.00  0.51           H  
ATOM    421  HZ3 TRP A  28       5.402  -5.219   2.148  1.00  0.52           H  
ATOM    422  HH2 TRP A  28       3.709  -3.618   2.993  1.00  0.54           H  
ATOM    423  N   CYS A  29       0.072 -10.452  -0.419  1.00  0.51           N  
ATOM    424  CA  CYS A  29      -1.186 -11.232  -0.291  1.00  0.54           C  
ATOM    425  C   CYS A  29      -1.695 -11.056   1.140  1.00  0.60           C  
ATOM    426  O   CYS A  29      -0.962 -11.224   2.093  1.00  1.03           O  
ATOM    427  CB  CYS A  29      -0.821 -12.682  -0.594  1.00  0.70           C  
ATOM    428  SG  CYS A  29      -1.845 -13.249  -1.978  1.00  1.40           S  
ATOM    429  H   CYS A  29       0.399  -9.972   0.348  1.00  0.94           H  
ATOM    430  HA  CYS A  29      -1.923 -10.876  -1.003  1.00  0.63           H  
ATOM    431  HB2 CYS A  29       0.224 -12.744  -0.864  1.00  1.20           H  
ATOM    432  HB3 CYS A  29      -1.009 -13.289   0.274  1.00  0.95           H  
ATOM    433  N   ASP A  30      -2.926 -10.664   1.298  1.00  0.72           N  
ATOM    434  CA  ASP A  30      -3.455 -10.415   2.669  1.00  0.84           C  
ATOM    435  C   ASP A  30      -3.595 -11.713   3.479  1.00  1.12           C  
ATOM    436  O   ASP A  30      -3.165 -12.774   3.072  1.00  1.71           O  
ATOM    437  CB  ASP A  30      -4.809  -9.745   2.437  1.00  1.14           C  
ATOM    438  CG  ASP A  30      -5.191  -8.908   3.660  1.00  2.09           C  
ATOM    439  OD1 ASP A  30      -4.449  -7.995   3.982  1.00  2.73           O  
ATOM    440  OD2 ASP A  30      -6.219  -9.194   4.253  1.00  2.77           O  
ATOM    441  H   ASP A  30      -3.490 -10.494   0.516  1.00  1.04           H  
ATOM    442  HA  ASP A  30      -2.806  -9.730   3.191  1.00  0.88           H  
ATOM    443  HB2 ASP A  30      -4.737  -9.098   1.572  1.00  1.42           H  
ATOM    444  HB3 ASP A  30      -5.562 -10.498   2.264  1.00  1.41           H  
ATOM    445  N   ALA A  31      -4.161 -11.602   4.649  1.00  1.31           N  
ATOM    446  CA  ALA A  31      -4.327 -12.771   5.565  1.00  1.67           C  
ATOM    447  C   ALA A  31      -4.484 -14.111   4.832  1.00  1.78           C  
ATOM    448  O   ALA A  31      -3.844 -15.082   5.184  1.00  2.13           O  
ATOM    449  CB  ALA A  31      -5.595 -12.457   6.358  1.00  2.01           C  
ATOM    450  H   ALA A  31      -4.462 -10.722   4.950  1.00  1.60           H  
ATOM    451  HA  ALA A  31      -3.492 -12.824   6.245  1.00  1.91           H  
ATOM    452  HB1 ALA A  31      -5.634 -11.399   6.569  1.00  2.23           H  
ATOM    453  HB2 ALA A  31      -6.461 -12.740   5.777  1.00  2.33           H  
ATOM    454  HB3 ALA A  31      -5.587 -13.010   7.285  1.00  2.48           H  
ATOM    455  N   PHE A  32      -5.354 -14.207   3.863  1.00  1.80           N  
ATOM    456  CA  PHE A  32      -5.543 -15.532   3.199  1.00  2.16           C  
ATOM    457  C   PHE A  32      -5.095 -15.540   1.735  1.00  1.97           C  
ATOM    458  O   PHE A  32      -5.188 -16.554   1.071  1.00  2.43           O  
ATOM    459  CB  PHE A  32      -7.044 -15.799   3.293  1.00  2.75           C  
ATOM    460  CG  PHE A  32      -7.352 -16.413   4.636  1.00  3.17           C  
ATOM    461  CD1 PHE A  32      -6.581 -17.482   5.105  1.00  3.64           C  
ATOM    462  CD2 PHE A  32      -8.403 -15.912   5.413  1.00  3.58           C  
ATOM    463  CE1 PHE A  32      -6.860 -18.052   6.352  1.00  4.16           C  
ATOM    464  CE2 PHE A  32      -8.682 -16.483   6.661  1.00  4.12           C  
ATOM    465  CZ  PHE A  32      -7.911 -17.553   7.130  1.00  4.27           C  
ATOM    466  H   PHE A  32      -5.900 -13.436   3.603  1.00  1.79           H  
ATOM    467  HA  PHE A  32      -5.015 -16.295   3.747  1.00  2.40           H  
ATOM    468  HB2 PHE A  32      -7.584 -14.869   3.187  1.00  2.80           H  
ATOM    469  HB3 PHE A  32      -7.340 -16.481   2.510  1.00  3.07           H  
ATOM    470  HD1 PHE A  32      -5.770 -17.867   4.505  1.00  3.89           H  
ATOM    471  HD2 PHE A  32      -8.998 -15.087   5.050  1.00  3.78           H  
ATOM    472  HE1 PHE A  32      -6.264 -18.877   6.713  1.00  4.72           H  
ATOM    473  HE2 PHE A  32      -9.493 -16.097   7.261  1.00  4.66           H  
ATOM    474  HZ  PHE A  32      -8.126 -17.993   8.092  1.00  4.76           H  
ATOM    475  N   CYS A  33      -4.618 -14.450   1.206  1.00  1.59           N  
ATOM    476  CA  CYS A  33      -4.194 -14.488  -0.221  1.00  1.57           C  
ATOM    477  C   CYS A  33      -5.357 -15.055  -1.044  1.00  1.72           C  
ATOM    478  O   CYS A  33      -5.366 -16.214  -1.411  1.00  2.26           O  
ATOM    479  CB  CYS A  33      -2.994 -15.443  -0.223  1.00  1.83           C  
ATOM    480  SG  CYS A  33      -2.019 -15.245  -1.736  1.00  1.85           S  
ATOM    481  H   CYS A  33      -4.544 -13.627   1.731  1.00  1.62           H  
ATOM    482  HA  CYS A  33      -3.909 -13.509  -0.567  1.00  1.57           H  
ATOM    483  HB2 CYS A  33      -2.369 -15.231   0.631  1.00  2.31           H  
ATOM    484  HB3 CYS A  33      -3.350 -16.462  -0.159  1.00  2.23           H  
ATOM    485  N   SER A  34      -6.359 -14.255  -1.294  1.00  1.56           N  
ATOM    486  CA  SER A  34      -7.552 -14.755  -2.045  1.00  2.02           C  
ATOM    487  C   SER A  34      -7.368 -14.643  -3.560  1.00  1.54           C  
ATOM    488  O   SER A  34      -6.320 -14.272  -4.051  1.00  1.67           O  
ATOM    489  CB  SER A  34      -8.701 -13.859  -1.585  1.00  2.83           C  
ATOM    490  OG  SER A  34      -8.969 -14.107  -0.211  1.00  3.43           O  
ATOM    491  H   SER A  34      -6.342 -13.333  -0.959  1.00  1.42           H  
ATOM    492  HA  SER A  34      -7.762 -15.776  -1.772  1.00  2.52           H  
ATOM    493  HB2 SER A  34      -8.427 -12.825  -1.712  1.00  3.17           H  
ATOM    494  HB3 SER A  34      -9.581 -14.072  -2.179  1.00  3.23           H  
ATOM    495  HG  SER A  34      -8.373 -13.565   0.310  1.00  3.79           H  
ATOM    496  N   SER A  35      -8.396 -14.973  -4.300  1.00  1.60           N  
ATOM    497  CA  SER A  35      -8.317 -14.904  -5.787  1.00  1.61           C  
ATOM    498  C   SER A  35      -8.422 -13.452  -6.259  1.00  1.46           C  
ATOM    499  O   SER A  35      -8.400 -13.170  -7.440  1.00  1.64           O  
ATOM    500  CB  SER A  35      -9.515 -15.714  -6.279  1.00  2.24           C  
ATOM    501  OG  SER A  35      -9.624 -16.907  -5.513  1.00  2.61           O  
ATOM    502  H   SER A  35      -9.226 -15.271  -3.871  1.00  2.02           H  
ATOM    503  HA  SER A  35      -7.400 -15.351  -6.137  1.00  1.71           H  
ATOM    504  HB2 SER A  35     -10.416 -15.135  -6.162  1.00  2.64           H  
ATOM    505  HB3 SER A  35      -9.379 -15.956  -7.325  1.00  2.70           H  
ATOM    506  HG  SER A  35     -10.453 -16.876  -5.031  1.00  2.89           H  
ATOM    507  N   ARG A  36      -8.528 -12.527  -5.344  1.00  1.37           N  
ATOM    508  CA  ARG A  36      -8.623 -11.092  -5.743  1.00  1.46           C  
ATOM    509  C   ARG A  36      -7.226 -10.540  -6.034  1.00  1.27           C  
ATOM    510  O   ARG A  36      -7.044  -9.354  -6.226  1.00  1.61           O  
ATOM    511  CB  ARG A  36      -9.231 -10.379  -4.532  1.00  1.73           C  
ATOM    512  CG  ARG A  36     -10.455 -11.149  -4.036  1.00  1.72           C  
ATOM    513  CD  ARG A  36     -11.465 -11.297  -5.176  1.00  2.34           C  
ATOM    514  NE  ARG A  36     -12.743 -10.763  -4.627  1.00  2.70           N  
ATOM    515  CZ  ARG A  36     -13.883 -11.252  -5.033  1.00  3.17           C  
ATOM    516  NH1 ARG A  36     -13.949 -11.901  -6.163  1.00  3.66           N  
ATOM    517  NH2 ARG A  36     -14.956 -11.090  -4.309  1.00  3.67           N  
ATOM    518  H   ARG A  36      -8.537 -12.774  -4.396  1.00  1.43           H  
ATOM    519  HA  ARG A  36      -9.265 -10.978  -6.601  1.00  1.59           H  
ATOM    520  HB2 ARG A  36      -8.496 -10.325  -3.742  1.00  1.89           H  
ATOM    521  HB3 ARG A  36      -9.527  -9.380  -4.815  1.00  2.05           H  
ATOM    522  HG2 ARG A  36     -10.150 -12.127  -3.695  1.00  2.08           H  
ATOM    523  HG3 ARG A  36     -10.914 -10.611  -3.221  1.00  1.76           H  
ATOM    524  HD2 ARG A  36     -11.150 -10.719  -6.034  1.00  2.67           H  
ATOM    525  HD3 ARG A  36     -11.583 -12.336  -5.443  1.00  2.84           H  
ATOM    526  HE  ARG A  36     -12.728 -10.045  -3.961  1.00  3.01           H  
ATOM    527 HH11 ARG A  36     -13.127 -12.025  -6.717  1.00  3.79           H  
ATOM    528 HH12 ARG A  36     -14.823 -12.276  -6.474  1.00  4.20           H  
ATOM    529 HH21 ARG A  36     -14.905 -10.593  -3.443  1.00  3.79           H  
ATOM    530 HH22 ARG A  36     -15.830 -11.465  -4.620  1.00  4.24           H  
ATOM    531  N   GLY A  37      -6.235 -11.389  -6.049  1.00  0.89           N  
ATOM    532  CA  GLY A  37      -4.852 -10.913  -6.305  1.00  0.72           C  
ATOM    533  C   GLY A  37      -4.232 -10.524  -4.967  1.00  0.62           C  
ATOM    534  O   GLY A  37      -4.702 -10.929  -3.922  1.00  0.66           O  
ATOM    535  H   GLY A  37      -6.398 -12.338  -5.875  1.00  0.93           H  
ATOM    536  HA2 GLY A  37      -4.274 -11.703  -6.763  1.00  0.71           H  
ATOM    537  HA3 GLY A  37      -4.875 -10.052  -6.954  1.00  0.77           H  
ATOM    538  N   LYS A  38      -3.199  -9.735  -4.973  1.00  0.55           N  
ATOM    539  CA  LYS A  38      -2.596  -9.331  -3.683  1.00  0.52           C  
ATOM    540  C   LYS A  38      -3.258  -8.047  -3.222  1.00  0.57           C  
ATOM    541  O   LYS A  38      -4.394  -7.763  -3.544  1.00  0.96           O  
ATOM    542  CB  LYS A  38      -1.116  -9.053  -3.959  1.00  0.49           C  
ATOM    543  CG  LYS A  38      -0.542 -10.001  -5.025  1.00  0.89           C  
ATOM    544  CD  LYS A  38      -1.074 -11.425  -4.833  1.00  1.64           C  
ATOM    545  CE  LYS A  38      -0.054 -12.426  -5.388  1.00  2.03           C  
ATOM    546  NZ  LYS A  38       1.038 -12.475  -4.378  1.00  2.64           N  
ATOM    547  H   LYS A  38      -2.833  -9.397  -5.812  1.00  0.56           H  
ATOM    548  HA  LYS A  38      -2.703 -10.109  -2.945  1.00  0.56           H  
ATOM    549  HB2 LYS A  38      -1.008  -8.038  -4.291  1.00  0.66           H  
ATOM    550  HB3 LYS A  38      -0.570  -9.165  -3.050  1.00  0.69           H  
ATOM    551  HG2 LYS A  38      -0.820  -9.645  -6.004  1.00  1.45           H  
ATOM    552  HG3 LYS A  38       0.535 -10.012  -4.941  1.00  1.47           H  
ATOM    553  HD2 LYS A  38      -1.234 -11.612  -3.785  1.00  2.28           H  
ATOM    554  HD3 LYS A  38      -2.003 -11.540  -5.366  1.00  2.12           H  
ATOM    555  HE2 LYS A  38      -0.510 -13.400  -5.499  1.00  2.24           H  
ATOM    556  HE3 LYS A  38       0.334 -12.082  -6.334  1.00  2.54           H  
ATOM    557  HZ1 LYS A  38       1.425 -11.520  -4.237  1.00  2.89           H  
ATOM    558  HZ2 LYS A  38       0.661 -12.835  -3.477  1.00  3.09           H  
ATOM    559  HZ3 LYS A  38       1.793 -13.105  -4.715  1.00  3.06           H  
ATOM    560  N   VAL A  39      -2.535  -7.247  -2.508  1.00  0.50           N  
ATOM    561  CA  VAL A  39      -3.090  -5.950  -2.064  1.00  0.51           C  
ATOM    562  C   VAL A  39      -2.282  -4.861  -2.763  1.00  0.49           C  
ATOM    563  O   VAL A  39      -1.631  -5.108  -3.758  1.00  0.56           O  
ATOM    564  CB  VAL A  39      -2.896  -5.890  -0.535  1.00  0.55           C  
ATOM    565  CG1 VAL A  39      -3.909  -4.916   0.069  1.00  0.64           C  
ATOM    566  CG2 VAL A  39      -3.118  -7.272   0.095  1.00  0.54           C  
ATOM    567  H   VAL A  39      -1.610  -7.483  -2.291  1.00  0.73           H  
ATOM    568  HA  VAL A  39      -4.136  -5.875  -2.318  1.00  0.54           H  
ATOM    569  HB  VAL A  39      -1.895  -5.549  -0.313  1.00  0.58           H  
ATOM    570 HG11 VAL A  39      -4.410  -4.380  -0.724  1.00  1.31           H  
ATOM    571 HG12 VAL A  39      -4.638  -5.467   0.646  1.00  1.23           H  
ATOM    572 HG13 VAL A  39      -3.397  -4.216   0.711  1.00  1.07           H  
ATOM    573 HG21 VAL A  39      -3.842  -7.821  -0.490  1.00  1.04           H  
ATOM    574 HG22 VAL A  39      -2.184  -7.813   0.114  1.00  1.07           H  
ATOM    575 HG23 VAL A  39      -3.485  -7.152   1.103  1.00  1.19           H  
ATOM    576  N   VAL A  40      -2.284  -3.680  -2.246  1.00  0.46           N  
ATOM    577  CA  VAL A  40      -1.489  -2.591  -2.859  1.00  0.46           C  
ATOM    578  C   VAL A  40      -1.141  -1.651  -1.743  1.00  0.45           C  
ATOM    579  O   VAL A  40      -1.843  -0.705  -1.446  1.00  0.56           O  
ATOM    580  CB  VAL A  40      -2.376  -1.925  -3.890  1.00  0.50           C  
ATOM    581  CG1 VAL A  40      -1.494  -1.098  -4.814  1.00  0.72           C  
ATOM    582  CG2 VAL A  40      -3.092  -2.994  -4.703  1.00  0.60           C  
ATOM    583  H   VAL A  40      -2.785  -3.504  -1.424  1.00  0.49           H  
ATOM    584  HA  VAL A  40      -0.595  -2.986  -3.321  1.00  0.44           H  
ATOM    585  HB  VAL A  40      -3.097  -1.287  -3.399  1.00  0.68           H  
ATOM    586 HG11 VAL A  40      -0.476  -1.452  -4.747  1.00  1.45           H  
ATOM    587 HG12 VAL A  40      -1.843  -1.201  -5.828  1.00  1.33           H  
ATOM    588 HG13 VAL A  40      -1.534  -0.064  -4.515  1.00  1.03           H  
ATOM    589 HG21 VAL A  40      -2.361  -3.675  -5.116  1.00  1.19           H  
ATOM    590 HG22 VAL A  40      -3.767  -3.539  -4.061  1.00  1.25           H  
ATOM    591 HG23 VAL A  40      -3.646  -2.526  -5.502  1.00  1.22           H  
ATOM    592  N   GLU A  41      -0.101  -1.971  -1.070  1.00  0.37           N  
ATOM    593  CA  GLU A  41       0.280  -1.179   0.110  1.00  0.36           C  
ATOM    594  C   GLU A  41       1.432  -0.213  -0.188  1.00  0.34           C  
ATOM    595  O   GLU A  41       2.562  -0.435   0.199  1.00  0.40           O  
ATOM    596  CB  GLU A  41       0.676  -2.234   1.136  1.00  0.36           C  
ATOM    597  CG  GLU A  41      -0.407  -3.317   1.214  1.00  0.41           C  
ATOM    598  CD  GLU A  41      -0.950  -3.399   2.642  1.00  1.21           C  
ATOM    599  OE1 GLU A  41      -1.157  -2.354   3.237  1.00  1.94           O  
ATOM    600  OE2 GLU A  41      -1.150  -4.505   3.116  1.00  1.87           O  
ATOM    601  H   GLU A  41       0.399  -2.778  -1.310  1.00  0.37           H  
ATOM    602  HA  GLU A  41      -0.575  -0.643   0.473  1.00  0.39           H  
ATOM    603  HB2 GLU A  41       1.613  -2.682   0.847  1.00  0.35           H  
ATOM    604  HB3 GLU A  41       0.773  -1.772   2.095  1.00  0.38           H  
ATOM    605  HG2 GLU A  41      -1.211  -3.070   0.536  1.00  0.85           H  
ATOM    606  HG3 GLU A  41       0.019  -4.268   0.936  1.00  0.71           H  
ATOM    607  N   LEU A  42       1.145   0.867  -0.865  1.00  0.33           N  
ATOM    608  CA  LEU A  42       2.206   1.869  -1.181  1.00  0.33           C  
ATOM    609  C   LEU A  42       2.515   2.699   0.068  1.00  0.32           C  
ATOM    610  O   LEU A  42       1.918   2.514   1.110  1.00  0.39           O  
ATOM    611  CB  LEU A  42       1.620   2.785  -2.273  1.00  0.34           C  
ATOM    612  CG  LEU A  42       0.719   2.010  -3.238  1.00  0.35           C  
ATOM    613  CD1 LEU A  42      -0.721   2.477  -3.058  1.00  0.49           C  
ATOM    614  CD2 LEU A  42       1.162   2.298  -4.669  1.00  0.34           C  
ATOM    615  H   LEU A  42       0.229   1.025  -1.165  1.00  0.38           H  
ATOM    616  HA  LEU A  42       3.095   1.382  -1.537  1.00  0.34           H  
ATOM    617  HB2 LEU A  42       1.042   3.567  -1.806  1.00  0.41           H  
ATOM    618  HB3 LEU A  42       2.423   3.229  -2.833  1.00  0.39           H  
ATOM    619  HG  LEU A  42       0.790   0.950  -3.037  1.00  0.41           H  
ATOM    620 HD11 LEU A  42      -0.788   3.097  -2.177  1.00  1.00           H  
ATOM    621 HD12 LEU A  42      -1.020   3.051  -3.923  1.00  1.22           H  
ATOM    622 HD13 LEU A  42      -1.369   1.621  -2.949  1.00  1.16           H  
ATOM    623 HD21 LEU A  42       1.794   3.174  -4.676  1.00  1.04           H  
ATOM    624 HD22 LEU A  42       1.712   1.454  -5.052  1.00  1.10           H  
ATOM    625 HD23 LEU A  42       0.295   2.474  -5.287  1.00  1.06           H  
ATOM    626  N   GLY A  43       3.435   3.623  -0.031  1.00  0.26           N  
ATOM    627  CA  GLY A  43       3.758   4.473   1.169  1.00  0.27           C  
ATOM    628  C   GLY A  43       5.111   5.180   0.991  1.00  0.25           C  
ATOM    629  O   GLY A  43       5.401   5.720  -0.053  1.00  0.24           O  
ATOM    630  H   GLY A  43       3.900   3.760  -0.892  1.00  0.24           H  
ATOM    631  HA2 GLY A  43       2.985   5.216   1.294  1.00  0.28           H  
ATOM    632  HA3 GLY A  43       3.793   3.849   2.049  1.00  0.30           H  
ATOM    633  N   CYS A  44       5.937   5.200   2.010  1.00  0.29           N  
ATOM    634  CA  CYS A  44       7.257   5.879   1.885  1.00  0.29           C  
ATOM    635  C   CYS A  44       8.398   4.881   2.086  1.00  0.33           C  
ATOM    636  O   CYS A  44       8.221   3.821   2.653  1.00  0.40           O  
ATOM    637  CB  CYS A  44       7.291   6.911   3.002  1.00  0.36           C  
ATOM    638  SG  CYS A  44       5.793   7.923   2.971  1.00  0.58           S  
ATOM    639  H   CYS A  44       5.690   4.781   2.854  1.00  0.33           H  
ATOM    640  HA  CYS A  44       7.342   6.365   0.931  1.00  0.26           H  
ATOM    641  HB2 CYS A  44       7.369   6.406   3.949  1.00  0.51           H  
ATOM    642  HB3 CYS A  44       8.149   7.540   2.868  1.00  0.57           H  
ATOM    643  N   ALA A  45       9.573   5.224   1.637  1.00  0.31           N  
ATOM    644  CA  ALA A  45      10.735   4.315   1.811  1.00  0.36           C  
ATOM    645  C   ALA A  45      12.030   5.018   1.400  1.00  0.39           C  
ATOM    646  O   ALA A  45      12.023   5.938   0.603  1.00  0.39           O  
ATOM    647  CB  ALA A  45      10.459   3.124   0.896  1.00  0.37           C  
ATOM    648  H   ALA A  45       9.693   6.083   1.200  1.00  0.30           H  
ATOM    649  HA  ALA A  45      10.795   3.994   2.832  1.00  0.42           H  
ATOM    650  HB1 ALA A  45       9.415   2.857   0.958  1.00  0.99           H  
ATOM    651  HB2 ALA A  45      10.704   3.391  -0.121  1.00  1.14           H  
ATOM    652  HB3 ALA A  45      11.066   2.285   1.204  1.00  1.11           H  
ATOM    653  N   ALA A  46      13.142   4.590   1.932  1.00  0.47           N  
ATOM    654  CA  ALA A  46      14.437   5.229   1.565  1.00  0.53           C  
ATOM    655  C   ALA A  46      14.692   5.044   0.067  1.00  0.55           C  
ATOM    656  O   ALA A  46      15.064   5.966  -0.633  1.00  0.62           O  
ATOM    657  CB  ALA A  46      15.492   4.487   2.384  1.00  0.65           C  
ATOM    658  H   ALA A  46      13.127   3.845   2.569  1.00  0.52           H  
ATOM    659  HA  ALA A  46      14.430   6.272   1.828  1.00  0.55           H  
ATOM    660  HB1 ALA A  46      15.213   4.499   3.427  1.00  1.35           H  
ATOM    661  HB2 ALA A  46      15.561   3.465   2.042  1.00  1.14           H  
ATOM    662  HB3 ALA A  46      16.449   4.972   2.262  1.00  1.04           H  
ATOM    663  N   THR A  47      14.478   3.853  -0.420  1.00  0.54           N  
ATOM    664  CA  THR A  47      14.683   3.563  -1.868  1.00  0.64           C  
ATOM    665  C   THR A  47      13.883   2.311  -2.225  1.00  0.66           C  
ATOM    666  O   THR A  47      13.440   1.601  -1.345  1.00  0.74           O  
ATOM    667  CB  THR A  47      16.184   3.301  -2.024  1.00  0.75           C  
ATOM    668  OG1 THR A  47      16.554   2.191  -1.218  1.00  1.56           O  
ATOM    669  CG2 THR A  47      16.978   4.533  -1.589  1.00  1.56           C  
ATOM    670  H   THR A  47      14.169   3.137   0.173  1.00  0.53           H  
ATOM    671  HA  THR A  47      14.379   4.401  -2.475  1.00  0.67           H  
ATOM    672  HB  THR A  47      16.405   3.084  -3.058  1.00  1.21           H  
ATOM    673  HG1 THR A  47      17.410   1.879  -1.519  1.00  1.95           H  
ATOM    674 HG21 THR A  47      16.543   5.417  -2.033  1.00  2.12           H  
ATOM    675 HG22 THR A  47      16.948   4.619  -0.512  1.00  2.12           H  
ATOM    676 HG23 THR A  47      18.002   4.434  -1.914  1.00  2.07           H  
ATOM    677  N   CYS A  48      13.692   2.030  -3.492  1.00  0.71           N  
ATOM    678  CA  CYS A  48      12.917   0.809  -3.877  1.00  0.78           C  
ATOM    679  C   CYS A  48      13.354  -0.371  -2.993  1.00  0.77           C  
ATOM    680  O   CYS A  48      14.405  -0.946  -3.191  1.00  0.84           O  
ATOM    681  CB  CYS A  48      13.265   0.564  -5.347  1.00  0.88           C  
ATOM    682  SG  CYS A  48      12.848   2.031  -6.335  1.00  1.24           S  
ATOM    683  H   CYS A  48      14.058   2.618  -4.186  1.00  0.79           H  
ATOM    684  HA  CYS A  48      11.860   0.991  -3.772  1.00  0.78           H  
ATOM    685  HB2 CYS A  48      14.321   0.362  -5.435  1.00  0.85           H  
ATOM    686  HB3 CYS A  48      12.706  -0.286  -5.711  1.00  1.07           H  
ATOM    687  N   PRO A  49      12.540  -0.643  -2.005  1.00  0.75           N  
ATOM    688  CA  PRO A  49      12.844  -1.711  -1.011  1.00  0.79           C  
ATOM    689  C   PRO A  49      12.595  -3.132  -1.531  1.00  1.01           C  
ATOM    690  O   PRO A  49      12.635  -4.077  -0.768  1.00  1.24           O  
ATOM    691  CB  PRO A  49      11.888  -1.411   0.129  1.00  0.83           C  
ATOM    692  CG  PRO A  49      10.751  -0.653  -0.478  1.00  0.88           C  
ATOM    693  CD  PRO A  49      11.261   0.019  -1.727  1.00  0.75           C  
ATOM    694  HA  PRO A  49      13.857  -1.615  -0.658  1.00  0.77           H  
ATOM    695  HB2 PRO A  49      11.533  -2.337   0.551  1.00  0.96           H  
ATOM    696  HB3 PRO A  49      12.374  -0.812   0.879  1.00  0.80           H  
ATOM    697  HG2 PRO A  49       9.953  -1.335  -0.726  1.00  1.13           H  
ATOM    698  HG3 PRO A  49      10.394   0.092   0.215  1.00  0.92           H  
ATOM    699  HD2 PRO A  49      10.569  -0.133  -2.544  1.00  0.92           H  
ATOM    700  HD3 PRO A  49      11.414   1.072  -1.554  1.00  0.60           H  
ATOM    701  N   SER A  50      12.340  -3.294  -2.796  1.00  1.53           N  
ATOM    702  CA  SER A  50      12.095  -4.672  -3.348  1.00  1.79           C  
ATOM    703  C   SER A  50      13.096  -5.666  -2.736  1.00  1.47           C  
ATOM    704  O   SER A  50      14.201  -5.295  -2.399  1.00  2.21           O  
ATOM    705  CB  SER A  50      12.312  -4.542  -4.853  1.00  2.66           C  
ATOM    706  OG  SER A  50      11.150  -5.004  -5.529  1.00  3.35           O  
ATOM    707  H   SER A  50      12.308  -2.515  -3.381  1.00  1.96           H  
ATOM    708  HA  SER A  50      11.082  -4.983  -3.145  1.00  2.20           H  
ATOM    709  HB2 SER A  50      12.486  -3.509  -5.108  1.00  3.02           H  
ATOM    710  HB3 SER A  50      13.170  -5.131  -5.146  1.00  3.02           H  
ATOM    711  HG  SER A  50      11.136  -4.606  -6.401  1.00  3.70           H  
ATOM    712  N   LYS A  51      12.724  -6.913  -2.548  1.00  1.44           N  
ATOM    713  CA  LYS A  51      13.688  -7.861  -1.907  1.00  1.96           C  
ATOM    714  C   LYS A  51      13.964  -9.127  -2.725  1.00  1.80           C  
ATOM    715  O   LYS A  51      14.641  -9.075  -3.731  1.00  2.55           O  
ATOM    716  CB  LYS A  51      13.106  -8.150  -0.519  1.00  3.19           C  
ATOM    717  CG  LYS A  51      13.460  -6.986   0.408  1.00  3.92           C  
ATOM    718  CD  LYS A  51      14.692  -7.354   1.238  1.00  4.97           C  
ATOM    719  CE  LYS A  51      15.933  -7.409   0.339  1.00  5.74           C  
ATOM    720  NZ  LYS A  51      16.114  -6.019  -0.176  1.00  6.51           N  
ATOM    721  H   LYS A  51      11.822  -7.207  -2.792  1.00  1.84           H  
ATOM    722  HA  LYS A  51      14.614  -7.377  -1.769  1.00  2.33           H  
ATOM    723  HB2 LYS A  51      12.033  -8.255  -0.585  1.00  3.60           H  
ATOM    724  HB3 LYS A  51      13.539  -9.054  -0.120  1.00  3.70           H  
ATOM    725  HG2 LYS A  51      13.673  -6.106  -0.182  1.00  4.09           H  
ATOM    726  HG3 LYS A  51      12.632  -6.787   1.068  1.00  4.09           H  
ATOM    727  HD2 LYS A  51      14.839  -6.613   2.009  1.00  5.27           H  
ATOM    728  HD3 LYS A  51      14.540  -8.319   1.694  1.00  5.25           H  
ATOM    729  HE2 LYS A  51      16.796  -7.713   0.916  1.00  5.96           H  
ATOM    730  HE3 LYS A  51      15.773  -8.089  -0.480  1.00  5.86           H  
ATOM    731  HZ1 LYS A  51      15.587  -5.350   0.419  1.00  6.87           H  
ATOM    732  HZ2 LYS A  51      17.124  -5.771  -0.163  1.00  6.85           H  
ATOM    733  HZ3 LYS A  51      15.758  -5.962  -1.151  1.00  6.61           H  
ATOM    734  N   LYS A  52      13.548 -10.267  -2.266  1.00  1.50           N  
ATOM    735  CA  LYS A  52      13.915 -11.516  -2.995  1.00  1.99           C  
ATOM    736  C   LYS A  52      12.725 -12.404  -3.446  1.00  1.87           C  
ATOM    737  O   LYS A  52      12.507 -12.548  -4.632  1.00  2.40           O  
ATOM    738  CB  LYS A  52      14.807 -12.264  -1.996  1.00  2.68           C  
ATOM    739  CG  LYS A  52      16.205 -11.645  -1.966  1.00  3.45           C  
ATOM    740  CD  LYS A  52      16.414 -10.978  -0.602  1.00  4.05           C  
ATOM    741  CE  LYS A  52      17.894 -10.642  -0.403  1.00  4.76           C  
ATOM    742  NZ  LYS A  52      17.992 -10.158   1.004  1.00  5.30           N  
ATOM    743  H   LYS A  52      13.079 -10.306  -1.427  1.00  1.58           H  
ATOM    744  HA  LYS A  52      14.510 -11.262  -3.856  1.00  2.45           H  
ATOM    745  HB2 LYS A  52      14.385 -12.183  -1.009  1.00  2.54           H  
ATOM    746  HB3 LYS A  52      14.879 -13.303  -2.277  1.00  3.14           H  
ATOM    747  HG2 LYS A  52      16.946 -12.419  -2.110  1.00  3.99           H  
ATOM    748  HG3 LYS A  52      16.293 -10.905  -2.747  1.00  3.47           H  
ATOM    749  HD2 LYS A  52      15.830 -10.070  -0.553  1.00  4.16           H  
ATOM    750  HD3 LYS A  52      16.094 -11.654   0.179  1.00  4.36           H  
ATOM    751  HE2 LYS A  52      18.501 -11.526  -0.541  1.00  5.00           H  
ATOM    752  HE3 LYS A  52      18.198  -9.864  -1.084  1.00  5.04           H  
ATOM    753  HZ1 LYS A  52      17.096  -9.707   1.280  1.00  5.58           H  
ATOM    754  HZ2 LYS A  52      18.183 -10.961   1.636  1.00  5.70           H  
ATOM    755  HZ3 LYS A  52      18.767  -9.467   1.079  1.00  5.38           H  
ATOM    756  N   PRO A  53      12.042 -13.050  -2.517  1.00  1.74           N  
ATOM    757  CA  PRO A  53      10.956 -14.002  -2.903  1.00  2.09           C  
ATOM    758  C   PRO A  53       9.728 -13.326  -3.549  1.00  1.60           C  
ATOM    759  O   PRO A  53       9.700 -13.103  -4.743  1.00  1.72           O  
ATOM    760  CB  PRO A  53      10.597 -14.673  -1.584  1.00  2.78           C  
ATOM    761  CG  PRO A  53      10.972 -13.686  -0.539  1.00  2.71           C  
ATOM    762  CD  PRO A  53      12.184 -12.973  -1.057  1.00  2.07           C  
ATOM    763  HA  PRO A  53      11.347 -14.748  -3.574  1.00  2.62           H  
ATOM    764  HB2 PRO A  53       9.557 -14.894  -1.545  1.00  2.99           H  
ATOM    765  HB3 PRO A  53      11.175 -15.573  -1.457  1.00  3.40           H  
ATOM    766  HG2 PRO A  53      10.162 -12.985  -0.381  1.00  2.75           H  
ATOM    767  HG3 PRO A  53      11.211 -14.193   0.382  1.00  3.37           H  
ATOM    768  HD2 PRO A  53      12.189 -11.948  -0.721  1.00  2.04           H  
ATOM    769  HD3 PRO A  53      13.073 -13.491  -0.743  1.00  2.39           H  
ATOM    770  N   TYR A  54       8.691 -13.045  -2.794  1.00  1.29           N  
ATOM    771  CA  TYR A  54       7.461 -12.440  -3.415  1.00  1.21           C  
ATOM    772  C   TYR A  54       7.240 -11.000  -2.960  1.00  1.03           C  
ATOM    773  O   TYR A  54       6.257 -10.383  -3.317  1.00  1.25           O  
ATOM    774  CB  TYR A  54       6.255 -13.312  -2.990  1.00  1.54           C  
ATOM    775  CG  TYR A  54       6.458 -13.886  -1.603  1.00  1.75           C  
ATOM    776  CD1 TYR A  54       7.226 -15.037  -1.448  1.00  2.30           C  
ATOM    777  CD2 TYR A  54       5.904 -13.257  -0.482  1.00  2.16           C  
ATOM    778  CE1 TYR A  54       7.451 -15.569  -0.178  1.00  2.78           C  
ATOM    779  CE2 TYR A  54       6.122 -13.791   0.795  1.00  2.62           C  
ATOM    780  CZ  TYR A  54       6.899 -14.949   0.947  1.00  2.78           C  
ATOM    781  OH  TYR A  54       7.124 -15.475   2.202  1.00  3.40           O  
ATOM    782  H   TYR A  54       8.703 -13.255  -1.839  1.00  1.36           H  
ATOM    783  HA  TYR A  54       7.552 -12.466  -4.488  1.00  1.41           H  
ATOM    784  HB2 TYR A  54       5.362 -12.705  -2.993  1.00  1.75           H  
ATOM    785  HB3 TYR A  54       6.135 -14.120  -3.697  1.00  1.75           H  
ATOM    786  HD1 TYR A  54       7.657 -15.517  -2.315  1.00  2.70           H  
ATOM    787  HD2 TYR A  54       5.307 -12.366  -0.603  1.00  2.53           H  
ATOM    788  HE1 TYR A  54       8.056 -16.457  -0.065  1.00  3.44           H  
ATOM    789  HE2 TYR A  54       5.695 -13.311   1.661  1.00  3.17           H  
ATOM    790  HH  TYR A  54       8.024 -15.808   2.226  1.00  3.71           H  
ATOM    791  N   GLU A  55       8.134 -10.442  -2.201  1.00  0.84           N  
ATOM    792  CA  GLU A  55       7.930  -9.031  -1.781  1.00  0.78           C  
ATOM    793  C   GLU A  55       8.088  -8.147  -3.017  1.00  0.80           C  
ATOM    794  O   GLU A  55       9.172  -7.707  -3.344  1.00  1.26           O  
ATOM    795  CB  GLU A  55       9.030  -8.746  -0.759  1.00  0.86           C  
ATOM    796  CG  GLU A  55       8.467  -8.896   0.655  1.00  1.04           C  
ATOM    797  CD  GLU A  55       9.558  -8.562   1.673  1.00  1.48           C  
ATOM    798  OE1 GLU A  55      10.596  -9.201   1.628  1.00  2.18           O  
ATOM    799  OE2 GLU A  55       9.338  -7.672   2.477  1.00  2.05           O  
ATOM    800  H   GLU A  55       8.935 -10.935  -1.926  1.00  0.94           H  
ATOM    801  HA  GLU A  55       6.952  -8.902  -1.334  1.00  0.87           H  
ATOM    802  HB2 GLU A  55       9.842  -9.445  -0.900  1.00  1.00           H  
ATOM    803  HB3 GLU A  55       9.394  -7.739  -0.894  1.00  1.04           H  
ATOM    804  HG2 GLU A  55       7.632  -8.222   0.783  1.00  1.56           H  
ATOM    805  HG3 GLU A  55       8.136  -9.913   0.805  1.00  1.49           H  
ATOM    806  N   GLU A  56       7.016  -7.909  -3.724  1.00  0.52           N  
ATOM    807  CA  GLU A  56       7.104  -7.085  -4.960  1.00  0.63           C  
ATOM    808  C   GLU A  56       6.875  -5.615  -4.638  1.00  0.57           C  
ATOM    809  O   GLU A  56       5.758  -5.138  -4.634  1.00  0.91           O  
ATOM    810  CB  GLU A  56       5.990  -7.616  -5.862  1.00  0.77           C  
ATOM    811  CG  GLU A  56       6.571  -8.013  -7.221  1.00  1.22           C  
ATOM    812  CD  GLU A  56       5.432  -8.357  -8.182  1.00  1.83           C  
ATOM    813  OE1 GLU A  56       4.524  -7.552  -8.305  1.00  2.34           O  
ATOM    814  OE2 GLU A  56       5.487  -9.420  -8.779  1.00  2.52           O  
ATOM    815  H   GLU A  56       6.154  -8.285  -3.451  1.00  0.58           H  
ATOM    816  HA  GLU A  56       8.061  -7.223  -5.438  1.00  0.74           H  
ATOM    817  HB2 GLU A  56       5.533  -8.479  -5.399  1.00  0.90           H  
ATOM    818  HB3 GLU A  56       5.244  -6.848  -6.003  1.00  1.01           H  
ATOM    819  HG2 GLU A  56       7.145  -7.190  -7.621  1.00  1.53           H  
ATOM    820  HG3 GLU A  56       7.211  -8.875  -7.101  1.00  1.74           H  
ATOM    821  N   VAL A  57       7.920  -4.888  -4.373  1.00  0.43           N  
ATOM    822  CA  VAL A  57       7.742  -3.450  -4.059  1.00  0.41           C  
ATOM    823  C   VAL A  57       8.155  -2.587  -5.248  1.00  0.40           C  
ATOM    824  O   VAL A  57       8.813  -3.038  -6.165  1.00  0.46           O  
ATOM    825  CB  VAL A  57       8.645  -3.171  -2.863  1.00  0.44           C  
ATOM    826  CG1 VAL A  57       8.241  -1.832  -2.246  1.00  1.46           C  
ATOM    827  CG2 VAL A  57       8.484  -4.286  -1.826  1.00  1.43           C  
ATOM    828  H   VAL A  57       8.816  -5.286  -4.383  1.00  0.64           H  
ATOM    829  HA  VAL A  57       6.717  -3.255  -3.794  1.00  0.46           H  
ATOM    830  HB  VAL A  57       9.673  -3.124  -3.192  1.00  1.17           H  
ATOM    831 HG11 VAL A  57       7.256  -1.559  -2.595  1.00  1.84           H  
ATOM    832 HG12 VAL A  57       8.228  -1.920  -1.169  1.00  2.09           H  
ATOM    833 HG13 VAL A  57       8.948  -1.073  -2.538  1.00  2.10           H  
ATOM    834 HG21 VAL A  57       7.561  -4.817  -2.008  1.00  2.02           H  
ATOM    835 HG22 VAL A  57       9.314  -4.971  -1.903  1.00  1.93           H  
ATOM    836 HG23 VAL A  57       8.463  -3.856  -0.836  1.00  2.10           H  
ATOM    837  N   THR A  58       7.777  -1.344  -5.229  1.00  0.36           N  
ATOM    838  CA  THR A  58       8.144  -0.430  -6.342  1.00  0.39           C  
ATOM    839  C   THR A  58       8.477   0.945  -5.771  1.00  0.33           C  
ATOM    840  O   THR A  58       8.669   1.099  -4.581  1.00  0.31           O  
ATOM    841  CB  THR A  58       6.900  -0.362  -7.229  1.00  0.47           C  
ATOM    842  OG1 THR A  58       6.085  -1.501  -6.988  1.00  0.83           O  
ATOM    843  CG2 THR A  58       7.321  -0.335  -8.699  1.00  0.69           C  
ATOM    844  H   THR A  58       7.257  -1.004  -4.470  1.00  0.34           H  
ATOM    845  HA  THR A  58       8.979  -0.825  -6.899  1.00  0.43           H  
ATOM    846  HB  THR A  58       6.343   0.534  -7.001  1.00  0.73           H  
ATOM    847  HG1 THR A  58       6.304  -2.166  -7.645  1.00  1.04           H  
ATOM    848 HG21 THR A  58       8.390  -0.193  -8.764  1.00  1.16           H  
ATOM    849 HG22 THR A  58       7.052  -1.270  -9.168  1.00  1.33           H  
ATOM    850 HG23 THR A  58       6.819   0.478  -9.202  1.00  1.31           H  
ATOM    851  N   CYS A  59       8.535   1.949  -6.595  1.00  0.37           N  
ATOM    852  CA  CYS A  59       8.842   3.303  -6.066  1.00  0.35           C  
ATOM    853  C   CYS A  59       7.914   4.342  -6.667  1.00  0.35           C  
ATOM    854  O   CYS A  59       7.100   4.060  -7.524  1.00  0.40           O  
ATOM    855  CB  CYS A  59      10.261   3.619  -6.506  1.00  0.42           C  
ATOM    856  SG  CYS A  59      11.440   3.016  -5.264  1.00  0.50           S  
ATOM    857  H   CYS A  59       8.368   1.815  -7.551  1.00  0.46           H  
ATOM    858  HA  CYS A  59       8.784   3.313  -4.993  1.00  0.35           H  
ATOM    859  HB2 CYS A  59      10.454   3.146  -7.452  1.00  0.44           H  
ATOM    860  HB3 CYS A  59      10.353   4.695  -6.617  1.00  0.47           H  
ATOM    861  N   CYS A  60       8.071   5.555  -6.241  1.00  0.40           N  
ATOM    862  CA  CYS A  60       7.245   6.653  -6.797  1.00  0.47           C  
ATOM    863  C   CYS A  60       7.795   7.992  -6.293  1.00  0.61           C  
ATOM    864  O   CYS A  60       7.727   8.303  -5.124  1.00  0.86           O  
ATOM    865  CB  CYS A  60       5.796   6.334  -6.341  1.00  0.62           C  
ATOM    866  SG  CYS A  60       4.873   7.793  -5.742  1.00  1.12           S  
ATOM    867  H   CYS A  60       8.759   5.746  -5.569  1.00  0.43           H  
ATOM    868  HA  CYS A  60       7.310   6.613  -7.867  1.00  0.47           H  
ATOM    869  HB2 CYS A  60       5.257   5.912  -7.174  1.00  0.95           H  
ATOM    870  HB3 CYS A  60       5.838   5.597  -5.551  1.00  0.91           H  
ATOM    871  N   SER A  61       8.352   8.782  -7.174  1.00  0.57           N  
ATOM    872  CA  SER A  61       8.927  10.089  -6.746  1.00  0.72           C  
ATOM    873  C   SER A  61       8.096  11.279  -7.257  1.00  0.69           C  
ATOM    874  O   SER A  61       8.284  12.396  -6.816  1.00  0.94           O  
ATOM    875  CB  SER A  61      10.323  10.118  -7.365  1.00  0.84           C  
ATOM    876  OG  SER A  61      10.207  10.189  -8.781  1.00  1.39           O  
ATOM    877  H   SER A  61       8.405   8.507  -8.114  1.00  0.58           H  
ATOM    878  HA  SER A  61       9.011  10.123  -5.670  1.00  0.85           H  
ATOM    879  HB2 SER A  61      10.859  10.983  -7.011  1.00  1.11           H  
ATOM    880  HB3 SER A  61      10.860   9.223  -7.082  1.00  1.26           H  
ATOM    881  HG  SER A  61      10.876   9.615  -9.162  1.00  1.63           H  
ATOM    882  N   THR A  62       7.187  11.075  -8.181  1.00  0.70           N  
ATOM    883  CA  THR A  62       6.387  12.234  -8.681  1.00  0.73           C  
ATOM    884  C   THR A  62       5.328  12.631  -7.649  1.00  0.70           C  
ATOM    885  O   THR A  62       5.162  11.984  -6.635  1.00  0.73           O  
ATOM    886  CB  THR A  62       5.724  11.755  -9.976  1.00  0.76           C  
ATOM    887  OG1 THR A  62       6.452  10.657 -10.508  1.00  0.78           O  
ATOM    888  CG2 THR A  62       5.706  12.897 -10.994  1.00  0.89           C  
ATOM    889  H   THR A  62       7.032  10.175  -8.544  1.00  0.90           H  
ATOM    890  HA  THR A  62       7.036  13.071  -8.890  1.00  0.81           H  
ATOM    891  HB  THR A  62       4.711  11.451  -9.770  1.00  0.74           H  
ATOM    892  HG1 THR A  62       5.826   9.959 -10.715  1.00  1.22           H  
ATOM    893 HG21 THR A  62       6.702  13.302 -11.100  1.00  1.20           H  
ATOM    894 HG22 THR A  62       5.366  12.524 -11.949  1.00  1.39           H  
ATOM    895 HG23 THR A  62       5.038  13.673 -10.652  1.00  1.49           H  
ATOM    896  N   ASP A  63       4.613  13.694  -7.897  1.00  0.73           N  
ATOM    897  CA  ASP A  63       3.568  14.129  -6.926  1.00  0.76           C  
ATOM    898  C   ASP A  63       2.407  13.132  -6.923  1.00  0.62           C  
ATOM    899  O   ASP A  63       1.808  12.859  -7.945  1.00  0.69           O  
ATOM    900  CB  ASP A  63       3.104  15.496  -7.428  1.00  0.96           C  
ATOM    901  CG  ASP A  63       3.847  16.596  -6.668  1.00  1.25           C  
ATOM    902  OD1 ASP A  63       4.477  16.279  -5.673  1.00  1.84           O  
ATOM    903  OD2 ASP A  63       3.773  17.737  -7.095  1.00  1.67           O  
ATOM    904  H   ASP A  63       4.762  14.205  -8.719  1.00  0.80           H  
ATOM    905  HA  ASP A  63       3.988  14.222  -5.937  1.00  0.85           H  
ATOM    906  HB2 ASP A  63       3.314  15.581  -8.485  1.00  1.02           H  
ATOM    907  HB3 ASP A  63       2.042  15.600  -7.262  1.00  1.07           H  
ATOM    908  N   LYS A  64       2.087  12.581  -5.785  1.00  0.61           N  
ATOM    909  CA  LYS A  64       0.967  11.599  -5.724  1.00  0.69           C  
ATOM    910  C   LYS A  64       1.166  10.510  -6.781  1.00  0.59           C  
ATOM    911  O   LYS A  64       0.255  10.163  -7.505  1.00  0.67           O  
ATOM    912  CB  LYS A  64      -0.293  12.411  -6.024  1.00  0.88           C  
ATOM    913  CG  LYS A  64      -0.544  13.407  -4.890  1.00  1.27           C  
ATOM    914  CD  LYS A  64      -1.775  14.252  -5.219  1.00  1.58           C  
ATOM    915  CE  LYS A  64      -2.160  15.093  -4.000  1.00  2.18           C  
ATOM    916  NZ  LYS A  64      -3.346  15.882  -4.436  1.00  2.46           N  
ATOM    917  H   LYS A  64       2.583  12.810  -4.971  1.00  0.69           H  
ATOM    918  HA  LYS A  64       0.901  11.162  -4.739  1.00  0.82           H  
ATOM    919  HB2 LYS A  64      -0.162  12.947  -6.952  1.00  1.17           H  
ATOM    920  HB3 LYS A  64      -1.138  11.745  -6.108  1.00  1.34           H  
ATOM    921  HG2 LYS A  64      -0.711  12.868  -3.968  1.00  1.75           H  
ATOM    922  HG3 LYS A  64       0.315  14.052  -4.780  1.00  1.69           H  
ATOM    923  HD2 LYS A  64      -1.552  14.904  -6.051  1.00  1.79           H  
ATOM    924  HD3 LYS A  64      -2.598  13.604  -5.481  1.00  2.12           H  
ATOM    925  HE2 LYS A  64      -2.417  14.450  -3.169  1.00  2.79           H  
ATOM    926  HE3 LYS A  64      -1.354  15.756  -3.730  1.00  2.51           H  
ATOM    927  HZ1 LYS A  64      -4.089  15.234  -4.770  1.00  3.01           H  
ATOM    928  HZ2 LYS A  64      -3.705  16.439  -3.636  1.00  2.40           H  
ATOM    929  HZ3 LYS A  64      -3.072  16.522  -5.208  1.00  2.81           H  
ATOM    930  N   CYS A  65       2.348   9.963  -6.868  1.00  0.52           N  
ATOM    931  CA  CYS A  65       2.587   8.880  -7.880  1.00  0.53           C  
ATOM    932  C   CYS A  65       2.324   7.500  -7.262  1.00  0.46           C  
ATOM    933  O   CYS A  65       2.622   6.480  -7.850  1.00  0.49           O  
ATOM    934  CB  CYS A  65       4.034   8.998  -8.396  1.00  0.67           C  
ATOM    935  SG  CYS A  65       5.217   9.273  -7.061  1.00  0.97           S  
ATOM    936  H   CYS A  65       3.053  10.255  -6.264  1.00  0.55           H  
ATOM    937  HA  CYS A  65       1.921   9.028  -8.709  1.00  0.61           H  
ATOM    938  HB2 CYS A  65       4.297   8.086  -8.910  1.00  0.93           H  
ATOM    939  HB3 CYS A  65       4.088   9.819  -9.094  1.00  1.16           H  
ATOM    940  N   ASN A  66       1.744   7.461  -6.086  1.00  0.42           N  
ATOM    941  CA  ASN A  66       1.439   6.149  -5.442  1.00  0.39           C  
ATOM    942  C   ASN A  66      -0.050   5.705  -5.597  1.00  0.44           C  
ATOM    943  O   ASN A  66      -0.491   4.880  -4.822  1.00  0.42           O  
ATOM    944  CB  ASN A  66       1.740   6.389  -3.953  1.00  0.38           C  
ATOM    945  CG  ASN A  66       2.927   5.550  -3.477  1.00  0.31           C  
ATOM    946  OD1 ASN A  66       2.995   5.187  -2.320  1.00  0.32           O  
ATOM    947  ND2 ASN A  66       3.882   5.248  -4.304  1.00  0.34           N  
ATOM    948  H   ASN A  66       1.499   8.295  -5.635  1.00  0.45           H  
ATOM    949  HA  ASN A  66       2.084   5.394  -5.829  1.00  0.39           H  
ATOM    950  HB2 ASN A  66       1.967   7.431  -3.799  1.00  0.44           H  
ATOM    951  HB3 ASN A  66       0.870   6.127  -3.370  1.00  0.44           H  
ATOM    952 HD21 ASN A  66       3.847   5.559  -5.224  1.00  0.38           H  
ATOM    953 HD22 ASN A  66       4.635   4.707  -4.002  1.00  0.37           H  
ATOM    954  N   PRO A  67      -0.806   6.240  -6.550  1.00  0.57           N  
ATOM    955  CA  PRO A  67      -2.225   5.823  -6.674  1.00  0.66           C  
ATOM    956  C   PRO A  67      -2.330   4.516  -7.453  1.00  0.55           C  
ATOM    957  O   PRO A  67      -2.473   4.522  -8.660  1.00  0.79           O  
ATOM    958  CB  PRO A  67      -2.868   6.945  -7.476  1.00  0.90           C  
ATOM    959  CG  PRO A  67      -1.756   7.541  -8.277  1.00  0.95           C  
ATOM    960  CD  PRO A  67      -0.459   7.239  -7.569  1.00  0.71           C  
ATOM    961  HA  PRO A  67      -2.692   5.739  -5.706  1.00  0.70           H  
ATOM    962  HB2 PRO A  67      -3.633   6.546  -8.128  1.00  0.96           H  
ATOM    963  HB3 PRO A  67      -3.286   7.687  -6.815  1.00  1.03           H  
ATOM    964  HG2 PRO A  67      -1.746   7.106  -9.267  1.00  1.00           H  
ATOM    965  HG3 PRO A  67      -1.889   8.610  -8.348  1.00  1.14           H  
ATOM    966  HD2 PRO A  67       0.267   6.839  -8.265  1.00  0.69           H  
ATOM    967  HD3 PRO A  67      -0.085   8.125  -7.101  1.00  0.73           H  
ATOM    968  N   HIS A  68      -2.266   3.396  -6.795  1.00  0.54           N  
ATOM    969  CA  HIS A  68      -2.370   2.128  -7.551  1.00  0.56           C  
ATOM    970  C   HIS A  68      -3.634   2.171  -8.427  1.00  0.71           C  
ATOM    971  O   HIS A  68      -4.392   3.119  -8.344  1.00  0.67           O  
ATOM    972  CB  HIS A  68      -2.349   0.981  -6.510  1.00  0.49           C  
ATOM    973  CG  HIS A  68      -3.349   1.140  -5.375  1.00  0.48           C  
ATOM    974  ND1 HIS A  68      -4.343   0.198  -5.167  1.00  0.57           N  
ATOM    975  CD2 HIS A  68      -3.531   2.086  -4.377  1.00  0.49           C  
ATOM    976  CE1 HIS A  68      -5.080   0.600  -4.118  1.00  0.62           C  
ATOM    977  NE2 HIS A  68      -4.624   1.734  -3.594  1.00  0.59           N  
ATOM    978  H   HIS A  68      -2.152   3.395  -5.831  1.00  0.78           H  
ATOM    979  HA  HIS A  68      -1.506   2.035  -8.194  1.00  0.66           H  
ATOM    980  HB2 HIS A  68      -2.566   0.056  -7.017  1.00  0.54           H  
ATOM    981  HB3 HIS A  68      -1.356   0.921  -6.096  1.00  0.54           H  
ATOM    982  HD1 HIS A  68      -4.479  -0.632  -5.679  1.00  0.63           H  
ATOM    983  HD2 HIS A  68      -2.901   2.934  -4.186  1.00  0.48           H  
ATOM    984  HE1 HIS A  68      -6.020   0.148  -3.861  1.00  0.72           H  
ATOM    985  N   PRO A  69      -3.776   1.191  -9.294  1.00  1.05           N  
ATOM    986  CA  PRO A  69      -4.918   1.135 -10.249  1.00  1.33           C  
ATOM    987  C   PRO A  69      -6.045   0.197  -9.773  1.00  1.47           C  
ATOM    988  O   PRO A  69      -5.931  -1.009  -9.871  1.00  1.97           O  
ATOM    989  CB  PRO A  69      -4.253   0.537 -11.485  1.00  1.87           C  
ATOM    990  CG  PRO A  69      -3.070  -0.255 -10.973  1.00  1.90           C  
ATOM    991  CD  PRO A  69      -2.887   0.060  -9.502  1.00  1.28           C  
ATOM    992  HA  PRO A  69      -5.293   2.119 -10.471  1.00  1.25           H  
ATOM    993  HB2 PRO A  69      -4.946  -0.113 -12.002  1.00  2.16           H  
ATOM    994  HB3 PRO A  69      -3.912   1.321 -12.142  1.00  2.03           H  
ATOM    995  HG2 PRO A  69      -3.257  -1.312 -11.100  1.00  2.13           H  
ATOM    996  HG3 PRO A  69      -2.180   0.026 -11.515  1.00  2.23           H  
ATOM    997  HD2 PRO A  69      -3.185  -0.783  -8.894  1.00  1.17           H  
ATOM    998  HD3 PRO A  69      -1.867   0.342  -9.295  1.00  1.33           H  
ATOM    999  N   LYS A  70      -7.112   0.725  -9.229  1.00  1.30           N  
ATOM   1000  CA  LYS A  70      -8.195  -0.155  -8.727  1.00  1.77           C  
ATOM   1001  C   LYS A  70      -9.570   0.535  -8.738  1.00  1.34           C  
ATOM   1002  O   LYS A  70     -10.574  -0.138  -8.763  1.00  1.26           O  
ATOM   1003  CB  LYS A  70      -7.855  -0.545  -7.274  1.00  2.45           C  
ATOM   1004  CG  LYS A  70      -6.470  -0.075  -6.775  1.00  3.27           C  
ATOM   1005  CD  LYS A  70      -6.270   1.478  -6.811  1.00  4.20           C  
ATOM   1006  CE  LYS A  70      -7.550   2.246  -6.550  1.00  4.86           C  
ATOM   1007  NZ  LYS A  70      -7.387   3.503  -7.336  1.00  4.74           N  
ATOM   1008  H   LYS A  70      -7.172   1.684  -9.101  1.00  1.07           H  
ATOM   1009  HA  LYS A  70      -8.238  -1.050  -9.327  1.00  2.34           H  
ATOM   1010  HB2 LYS A  70      -8.610  -0.150  -6.621  1.00  2.75           H  
ATOM   1011  HB3 LYS A  70      -7.879  -1.619  -7.214  1.00  2.50           H  
ATOM   1012  HG2 LYS A  70      -6.364  -0.427  -5.775  1.00  3.68           H  
ATOM   1013  HG3 LYS A  70      -5.709  -0.540  -7.386  1.00  3.20           H  
ATOM   1014  HD2 LYS A  70      -5.565   1.778  -6.075  1.00  4.54           H  
ATOM   1015  HD3 LYS A  70      -5.877   1.764  -7.751  1.00  4.46           H  
ATOM   1016  HE2 LYS A  70      -8.407   1.694  -6.870  1.00  5.36           H  
ATOM   1017  HE3 LYS A  70      -7.619   2.477  -5.512  1.00  5.17           H  
ATOM   1018  HZ1 LYS A  70      -6.861   3.301  -8.210  1.00  4.71           H  
ATOM   1019  HZ2 LYS A  70      -8.316   3.891  -7.574  1.00  4.85           H  
ATOM   1020  HZ3 LYS A  70      -6.859   4.196  -6.771  1.00  4.93           H  
ATOM   1021  N   GLN A  71      -9.645   1.847  -8.677  1.00  1.45           N  
ATOM   1022  CA  GLN A  71     -10.983   2.505  -8.643  1.00  1.32           C  
ATOM   1023  C   GLN A  71     -11.729   2.254  -9.950  1.00  1.07           C  
ATOM   1024  O   GLN A  71     -11.656   3.032 -10.880  1.00  1.29           O  
ATOM   1025  CB  GLN A  71     -10.694   4.002  -8.489  1.00  1.83           C  
ATOM   1026  CG  GLN A  71     -10.543   4.344  -7.008  1.00  2.22           C  
ATOM   1027  CD  GLN A  71      -9.974   5.755  -6.853  1.00  2.08           C  
ATOM   1028  OE1 GLN A  71     -10.601   6.723  -7.233  1.00  2.34           O  
ATOM   1029  NE2 GLN A  71      -8.798   5.909  -6.305  1.00  1.88           N  
ATOM   1030  H   GLN A  71      -8.834   2.391  -8.605  1.00  1.84           H  
ATOM   1031  HA  GLN A  71     -11.557   2.152  -7.803  1.00  1.44           H  
ATOM   1032  HB2 GLN A  71      -9.781   4.249  -9.013  1.00  2.22           H  
ATOM   1033  HB3 GLN A  71     -11.511   4.572  -8.906  1.00  2.14           H  
ATOM   1034  HG2 GLN A  71     -11.506   4.285  -6.523  1.00  2.71           H  
ATOM   1035  HG3 GLN A  71      -9.869   3.640  -6.555  1.00  2.73           H  
ATOM   1036 HE21 GLN A  71      -8.294   5.127  -6.003  1.00  1.87           H  
ATOM   1037 HE22 GLN A  71      -8.422   6.806  -6.191  1.00  1.87           H  
ATOM   1038  N   ARG A  72     -12.451   1.168 -10.023  1.00  1.04           N  
ATOM   1039  CA  ARG A  72     -13.206   0.868 -11.268  1.00  1.50           C  
ATOM   1040  C   ARG A  72     -13.946  -0.464 -11.128  1.00  1.98           C  
ATOM   1041  O   ARG A  72     -13.355  -1.464 -10.773  1.00  2.67           O  
ATOM   1042  CB  ARG A  72     -12.141   0.777 -12.359  1.00  2.44           C  
ATOM   1043  CG  ARG A  72     -12.758   0.173 -13.621  1.00  3.20           C  
ATOM   1044  CD  ARG A  72     -11.665  -0.062 -14.665  1.00  4.12           C  
ATOM   1045  NE  ARG A  72     -12.292   0.307 -15.963  1.00  4.93           N  
ATOM   1046  CZ  ARG A  72     -11.557   0.771 -16.936  1.00  5.77           C  
ATOM   1047  NH1 ARG A  72     -11.193   2.023 -16.938  1.00  6.38           N  
ATOM   1048  NH2 ARG A  72     -11.188  -0.017 -17.907  1.00  6.26           N  
ATOM   1049  H   ARG A  72     -12.497   0.549  -9.255  1.00  1.00           H  
ATOM   1050  HA  ARG A  72     -13.894   1.666 -11.491  1.00  1.89           H  
ATOM   1051  HB2 ARG A  72     -11.765   1.766 -12.578  1.00  2.80           H  
ATOM   1052  HB3 ARG A  72     -11.331   0.150 -12.020  1.00  2.86           H  
ATOM   1053  HG2 ARG A  72     -13.230  -0.767 -13.375  1.00  3.28           H  
ATOM   1054  HG3 ARG A  72     -13.496   0.852 -14.022  1.00  3.56           H  
ATOM   1055  HD2 ARG A  72     -10.810   0.569 -14.462  1.00  4.38           H  
ATOM   1056  HD3 ARG A  72     -11.374  -1.101 -14.677  1.00  4.36           H  
ATOM   1057  HE  ARG A  72     -13.258   0.202 -16.088  1.00  5.07           H  
ATOM   1058 HH11 ARG A  72     -11.478   2.628 -16.193  1.00  6.29           H  
ATOM   1059 HH12 ARG A  72     -10.631   2.380 -17.683  1.00  7.10           H  
ATOM   1060 HH21 ARG A  72     -11.467  -0.977 -17.905  1.00  6.06           H  
ATOM   1061 HH22 ARG A  72     -10.625   0.339 -18.653  1.00  6.99           H  
ATOM   1062  N   PRO A  73     -15.220  -0.435 -11.414  1.00  2.47           N  
ATOM   1063  CA  PRO A  73     -16.040  -1.663 -11.319  1.00  3.53           C  
ATOM   1064  C   PRO A  73     -15.720  -2.601 -12.484  1.00  3.88           C  
ATOM   1065  O   PRO A  73     -15.438  -2.167 -13.583  1.00  3.68           O  
ATOM   1066  CB  PRO A  73     -17.472  -1.148 -11.411  1.00  4.23           C  
ATOM   1067  CG  PRO A  73     -17.372   0.153 -12.141  1.00  3.84           C  
ATOM   1068  CD  PRO A  73     -16.009   0.725 -11.847  1.00  2.82           C  
ATOM   1069  HA  PRO A  73     -15.882  -2.157 -10.373  1.00  3.96           H  
ATOM   1070  HB2 PRO A  73     -18.086  -1.846 -11.963  1.00  4.83           H  
ATOM   1071  HB3 PRO A  73     -17.877  -0.987 -10.424  1.00  4.72           H  
ATOM   1072  HG2 PRO A  73     -17.485  -0.012 -13.203  1.00  3.95           H  
ATOM   1073  HG3 PRO A  73     -18.133   0.832 -11.789  1.00  4.52           H  
ATOM   1074  HD2 PRO A  73     -15.583   1.165 -12.738  1.00  2.77           H  
ATOM   1075  HD3 PRO A  73     -16.065   1.453 -11.052  1.00  2.97           H  
ATOM   1076  N   GLY A  74     -15.758  -3.884 -12.253  1.00  4.77           N  
ATOM   1077  CA  GLY A  74     -15.454  -4.847 -13.348  1.00  5.47           C  
ATOM   1078  C   GLY A  74     -16.199  -4.429 -14.617  1.00  6.18           C  
ATOM   1079  O   GLY A  74     -17.087  -3.599 -14.513  1.00  6.53           O  
ATOM   1080  OXT GLY A  74     -15.870  -4.945 -15.672  1.00  6.67           O  
ATOM   1081  H   GLY A  74     -15.986  -4.213 -11.359  1.00  5.16           H  
ATOM   1082  HA2 GLY A  74     -14.389  -4.850 -13.538  1.00  5.77           H  
ATOM   1083  HA3 GLY A  74     -15.772  -5.836 -13.057  1.00  5.52           H  
TER    1084      GLY A  74                                                      
ATOM   1085  N   MET B   1     -12.676  -5.428   2.711  1.00  2.32           N  
ATOM   1086  CA  MET B   1     -12.420  -4.020   3.128  1.00  2.00           C  
ATOM   1087  C   MET B   1     -10.945  -3.676   2.929  1.00  1.73           C  
ATOM   1088  O   MET B   1     -10.171  -3.653   3.865  1.00  2.28           O  
ATOM   1089  CB  MET B   1     -12.791  -3.975   4.612  1.00  2.42           C  
ATOM   1090  CG  MET B   1     -13.638  -2.732   4.891  1.00  2.88           C  
ATOM   1091  SD  MET B   1     -14.400  -2.877   6.527  1.00  3.71           S  
ATOM   1092  CE  MET B   1     -15.946  -2.021   6.134  1.00  4.41           C  
ATOM   1093  H1  MET B   1     -11.835  -6.007   2.909  1.00  2.51           H  
ATOM   1094  H2  MET B   1     -13.489  -5.805   3.240  1.00  2.53           H  
ATOM   1095  H3  MET B   1     -12.880  -5.457   1.692  1.00  2.77           H  
ATOM   1096  HA  MET B   1     -13.045  -3.341   2.571  1.00  1.91           H  
ATOM   1097  HB2 MET B   1     -13.355  -4.860   4.867  1.00  2.73           H  
ATOM   1098  HB3 MET B   1     -11.892  -3.937   5.208  1.00  2.53           H  
ATOM   1099  HG2 MET B   1     -13.009  -1.854   4.864  1.00  3.02           H  
ATOM   1100  HG3 MET B   1     -14.410  -2.646   4.141  1.00  3.12           H  
ATOM   1101  HE1 MET B   1     -15.804  -1.399   5.266  1.00  4.81           H  
ATOM   1102  HE2 MET B   1     -16.718  -2.750   5.930  1.00  4.80           H  
ATOM   1103  HE3 MET B   1     -16.238  -1.405   6.973  1.00  4.53           H  
ATOM   1104  N   ARG B   2     -10.545  -3.414   1.714  1.00  1.02           N  
ATOM   1105  CA  ARG B   2      -9.114  -3.082   1.466  1.00  0.84           C  
ATOM   1106  C   ARG B   2      -8.953  -2.221   0.223  1.00  0.72           C  
ATOM   1107  O   ARG B   2      -9.878  -1.982  -0.523  1.00  0.77           O  
ATOM   1108  CB  ARG B   2      -8.422  -4.430   1.224  1.00  0.82           C  
ATOM   1109  CG  ARG B   2      -7.873  -4.960   2.550  1.00  1.11           C  
ATOM   1110  CD  ARG B   2      -7.229  -6.333   2.338  1.00  1.52           C  
ATOM   1111  NE  ARG B   2      -7.393  -7.041   3.640  1.00  2.01           N  
ATOM   1112  CZ  ARG B   2      -6.994  -6.477   4.750  1.00  2.32           C  
ATOM   1113  NH1 ARG B   2      -5.795  -5.968   4.831  1.00  2.88           N  
ATOM   1114  NH2 ARG B   2      -7.797  -6.418   5.778  1.00  2.72           N  
ATOM   1115  H   ARG B   2     -11.181  -3.442   0.969  1.00  0.84           H  
ATOM   1116  HA  ARG B   2      -8.681  -2.597   2.325  1.00  0.96           H  
ATOM   1117  HB2 ARG B   2      -9.133  -5.134   0.814  1.00  0.92           H  
ATOM   1118  HB3 ARG B   2      -7.606  -4.299   0.516  1.00  0.79           H  
ATOM   1119  HG2 ARG B   2      -7.134  -4.272   2.934  1.00  1.64           H  
ATOM   1120  HG3 ARG B   2      -8.681  -5.051   3.261  1.00  1.69           H  
ATOM   1121  HD2 ARG B   2      -7.740  -6.867   1.548  1.00  2.01           H  
ATOM   1122  HD3 ARG B   2      -6.182  -6.224   2.105  1.00  2.01           H  
ATOM   1123  HE  ARG B   2      -7.801  -7.931   3.664  1.00  2.57           H  
ATOM   1124 HH11 ARG B   2      -5.180  -6.011   4.044  1.00  3.17           H  
ATOM   1125 HH12 ARG B   2      -5.490  -5.538   5.681  1.00  3.34           H  
ATOM   1126 HH21 ARG B   2      -8.717  -6.806   5.716  1.00  2.90           H  
ATOM   1127 HH22 ARG B   2      -7.492  -5.987   6.627  1.00  3.21           H  
ATOM   1128  N   TYR B   3      -7.749  -1.819  -0.026  1.00  0.61           N  
ATOM   1129  CA  TYR B   3      -7.437  -1.039  -1.257  1.00  0.58           C  
ATOM   1130  C   TYR B   3      -6.746  -2.053  -2.135  1.00  0.54           C  
ATOM   1131  O   TYR B   3      -5.623  -1.879  -2.564  1.00  0.54           O  
ATOM   1132  CB  TYR B   3      -6.462   0.120  -0.900  1.00  0.55           C  
ATOM   1133  CG  TYR B   3      -6.520   0.464   0.575  1.00  0.58           C  
ATOM   1134  CD1 TYR B   3      -5.794  -0.309   1.484  1.00  1.19           C  
ATOM   1135  CD2 TYR B   3      -7.309   1.527   1.028  1.00  1.10           C  
ATOM   1136  CE1 TYR B   3      -5.852  -0.024   2.848  1.00  1.24           C  
ATOM   1137  CE2 TYR B   3      -7.369   1.813   2.395  1.00  1.14           C  
ATOM   1138  CZ  TYR B   3      -6.639   1.035   3.307  1.00  0.74           C  
ATOM   1139  OH  TYR B   3      -6.697   1.309   4.657  1.00  0.85           O  
ATOM   1140  H   TYR B   3      -7.023  -2.082   0.575  1.00  0.60           H  
ATOM   1141  HA  TYR B   3      -8.339  -0.669  -1.723  1.00  0.69           H  
ATOM   1142  HB2 TYR B   3      -5.454  -0.178  -1.152  1.00  0.52           H  
ATOM   1143  HB3 TYR B   3      -6.722   0.994  -1.483  1.00  0.63           H  
ATOM   1144  HD1 TYR B   3      -5.186  -1.130   1.127  1.00  1.86           H  
ATOM   1145  HD2 TYR B   3      -7.876   2.123   0.325  1.00  1.77           H  
ATOM   1146  HE1 TYR B   3      -5.295  -0.626   3.549  1.00  1.92           H  
ATOM   1147  HE2 TYR B   3      -7.974   2.634   2.746  1.00  1.81           H  
ATOM   1148  HH  TYR B   3      -6.351   0.548   5.129  1.00  1.21           H  
ATOM   1149  N   TYR B   4      -7.399  -3.161  -2.329  1.00  0.57           N  
ATOM   1150  CA  TYR B   4      -6.778  -4.257  -3.095  1.00  0.61           C  
ATOM   1151  C   TYR B   4      -6.539  -3.849  -4.529  1.00  0.68           C  
ATOM   1152  O   TYR B   4      -6.728  -2.719  -4.931  1.00  0.89           O  
ATOM   1153  CB  TYR B   4      -7.791  -5.402  -3.058  1.00  0.72           C  
ATOM   1154  CG  TYR B   4      -7.181  -6.623  -2.408  1.00  0.72           C  
ATOM   1155  CD1 TYR B   4      -6.740  -6.567  -1.082  1.00  1.29           C  
ATOM   1156  CD2 TYR B   4      -7.065  -7.817  -3.133  1.00  1.54           C  
ATOM   1157  CE1 TYR B   4      -6.183  -7.702  -0.479  1.00  1.50           C  
ATOM   1158  CE2 TYR B   4      -6.507  -8.950  -2.531  1.00  1.72           C  
ATOM   1159  CZ  TYR B   4      -6.065  -8.893  -1.204  1.00  1.31           C  
ATOM   1160  OH  TYR B   4      -5.517 -10.011  -0.611  1.00  1.70           O  
ATOM   1161  H   TYR B   4      -8.281  -3.292  -1.914  1.00  0.59           H  
ATOM   1162  HA  TYR B   4      -5.857  -4.569  -2.626  1.00  0.59           H  
ATOM   1163  HB2 TYR B   4      -8.654  -5.094  -2.501  1.00  0.82           H  
ATOM   1164  HB3 TYR B   4      -8.087  -5.647  -4.068  1.00  0.98           H  
ATOM   1165  HD1 TYR B   4      -6.827  -5.650  -0.523  1.00  2.03           H  
ATOM   1166  HD2 TYR B   4      -7.407  -7.864  -4.157  1.00  2.31           H  
ATOM   1167  HE1 TYR B   4      -5.844  -7.658   0.545  1.00  2.27           H  
ATOM   1168  HE2 TYR B   4      -6.416  -9.869  -3.091  1.00  2.54           H  
ATOM   1169  HH  TYR B   4      -6.185 -10.406  -0.046  1.00  1.99           H  
ATOM   1170  N   GLU B   5      -6.095  -4.786  -5.279  1.00  0.63           N  
ATOM   1171  CA  GLU B   5      -5.784  -4.530  -6.719  1.00  0.73           C  
ATOM   1172  C   GLU B   5      -7.025  -4.711  -7.607  1.00  0.84           C  
ATOM   1173  O   GLU B   5      -6.919  -5.117  -8.748  1.00  1.05           O  
ATOM   1174  CB  GLU B   5      -4.713  -5.562  -7.078  1.00  0.77           C  
ATOM   1175  CG  GLU B   5      -5.345  -6.953  -7.167  1.00  1.46           C  
ATOM   1176  CD  GLU B   5      -4.347  -7.928  -7.794  1.00  1.91           C  
ATOM   1177  OE1 GLU B   5      -3.188  -7.885  -7.416  1.00  2.53           O  
ATOM   1178  OE2 GLU B   5      -4.759  -8.702  -8.642  1.00  2.38           O  
ATOM   1179  H   GLU B   5      -5.947  -5.670  -4.874  1.00  0.66           H  
ATOM   1180  HA  GLU B   5      -5.383  -3.537  -6.841  1.00  0.72           H  
ATOM   1181  HB2 GLU B   5      -4.270  -5.305  -8.029  1.00  1.11           H  
ATOM   1182  HB3 GLU B   5      -3.949  -5.566  -6.315  1.00  1.11           H  
ATOM   1183  HG2 GLU B   5      -5.608  -7.293  -6.177  1.00  1.87           H  
ATOM   1184  HG3 GLU B   5      -6.231  -6.909  -7.781  1.00  2.06           H  
ATOM   1185  N   SER B   6      -8.196  -4.416  -7.108  1.00  0.92           N  
ATOM   1186  CA  SER B   6      -9.420  -4.581  -7.957  1.00  1.04           C  
ATOM   1187  C   SER B   6     -10.542  -3.631  -7.511  1.00  0.97           C  
ATOM   1188  O   SER B   6     -11.678  -3.785  -7.907  1.00  1.22           O  
ATOM   1189  CB  SER B   6      -9.842  -6.035  -7.753  1.00  1.25           C  
ATOM   1190  OG  SER B   6     -11.220  -6.173  -8.072  1.00  2.01           O  
ATOM   1191  H   SER B   6      -8.271  -4.092  -6.188  1.00  1.04           H  
ATOM   1192  HA  SER B   6      -9.179  -4.414  -8.994  1.00  1.21           H  
ATOM   1193  HB2 SER B   6      -9.263  -6.674  -8.399  1.00  1.71           H  
ATOM   1194  HB3 SER B   6      -9.670  -6.318  -6.723  1.00  1.42           H  
ATOM   1195  HG  SER B   6     -11.588  -6.857  -7.507  1.00  2.30           H  
ATOM   1196  N   SER B   7     -10.221  -2.649  -6.706  1.00  0.85           N  
ATOM   1197  CA  SER B   7     -11.231  -1.665  -6.216  1.00  0.98           C  
ATOM   1198  C   SER B   7     -10.532  -0.758  -5.198  1.00  0.93           C  
ATOM   1199  O   SER B   7      -9.389  -0.983  -4.853  1.00  1.03           O  
ATOM   1200  CB  SER B   7     -12.343  -2.478  -5.543  1.00  1.21           C  
ATOM   1201  OG  SER B   7     -13.335  -1.588  -5.048  1.00  1.80           O  
ATOM   1202  H   SER B   7      -9.296  -2.543  -6.424  1.00  0.87           H  
ATOM   1203  HA  SER B   7     -11.627  -1.086  -7.037  1.00  1.22           H  
ATOM   1204  HB2 SER B   7     -12.799  -3.141  -6.253  1.00  1.68           H  
ATOM   1205  HB3 SER B   7     -11.924  -3.056  -4.732  1.00  1.65           H  
ATOM   1206  HG  SER B   7     -14.171  -1.819  -5.460  1.00  2.31           H  
ATOM   1207  N   LEU B   8     -11.175   0.267  -4.722  1.00  0.98           N  
ATOM   1208  CA  LEU B   8     -10.482   1.165  -3.751  1.00  1.09           C  
ATOM   1209  C   LEU B   8     -11.404   1.553  -2.592  1.00  1.09           C  
ATOM   1210  O   LEU B   8     -10.961   1.762  -1.480  1.00  1.53           O  
ATOM   1211  CB  LEU B   8     -10.117   2.383  -4.596  1.00  1.44           C  
ATOM   1212  CG  LEU B   8      -9.096   3.275  -3.885  1.00  1.38           C  
ATOM   1213  CD1 LEU B   8      -9.809   4.148  -2.867  1.00  2.11           C  
ATOM   1214  CD2 LEU B   8      -8.017   2.420  -3.203  1.00  1.60           C  
ATOM   1215  H   LEU B   8     -12.093   0.457  -5.009  1.00  1.07           H  
ATOM   1216  HA  LEU B   8      -9.591   0.694  -3.379  1.00  1.19           H  
ATOM   1217  HB2 LEU B   8      -9.699   2.049  -5.535  1.00  1.93           H  
ATOM   1218  HB3 LEU B   8     -11.011   2.957  -4.792  1.00  2.15           H  
ATOM   1219  HG  LEU B   8      -8.626   3.913  -4.617  1.00  1.86           H  
ATOM   1220 HD11 LEU B   8     -10.831   3.818  -2.770  1.00  2.38           H  
ATOM   1221 HD12 LEU B   8      -9.310   4.077  -1.915  1.00  2.61           H  
ATOM   1222 HD13 LEU B   8      -9.792   5.170  -3.211  1.00  2.64           H  
ATOM   1223 HD21 LEU B   8      -7.923   1.476  -3.722  1.00  2.06           H  
ATOM   1224 HD22 LEU B   8      -7.067   2.941  -3.241  1.00  2.02           H  
ATOM   1225 HD23 LEU B   8      -8.290   2.242  -2.175  1.00  1.88           H  
ATOM   1226  N   LYS B   9     -12.677   1.656  -2.837  1.00  1.25           N  
ATOM   1227  CA  LYS B   9     -13.614   2.036  -1.739  1.00  1.49           C  
ATOM   1228  C   LYS B   9     -13.735   0.883  -0.744  1.00  1.62           C  
ATOM   1229  O   LYS B   9     -14.169  -0.182  -1.106  1.00  2.21           O  
ATOM   1230  CB  LYS B   9     -14.963   2.278  -2.424  1.00  1.89           C  
ATOM   1231  CG  LYS B   9     -14.778   3.169  -3.655  1.00  2.12           C  
ATOM   1232  CD  LYS B   9     -15.449   2.513  -4.862  1.00  2.73           C  
ATOM   1233  CE  LYS B   9     -16.405   3.511  -5.519  1.00  3.08           C  
ATOM   1234  NZ  LYS B   9     -17.759   2.916  -5.346  1.00  3.74           N  
ATOM   1235  H   LYS B   9     -13.018   1.487  -3.739  1.00  1.59           H  
ATOM   1236  HA  LYS B   9     -13.280   2.935  -1.246  1.00  1.53           H  
ATOM   1237  HB2 LYS B   9     -15.385   1.331  -2.727  1.00  2.12           H  
ATOM   1238  HB3 LYS B   9     -15.634   2.763  -1.731  1.00  2.24           H  
ATOM   1239  HG2 LYS B   9     -15.230   4.132  -3.471  1.00  2.27           H  
ATOM   1240  HG3 LYS B   9     -13.728   3.298  -3.857  1.00  2.36           H  
ATOM   1241  HD2 LYS B   9     -14.694   2.213  -5.574  1.00  3.15           H  
ATOM   1242  HD3 LYS B   9     -16.005   1.645  -4.538  1.00  3.05           H  
ATOM   1243  HE2 LYS B   9     -16.345   4.469  -5.023  1.00  3.18           H  
ATOM   1244  HE3 LYS B   9     -16.178   3.614  -6.569  1.00  3.31           H  
ATOM   1245  HZ1 LYS B   9     -17.704   1.885  -5.482  1.00  4.10           H  
ATOM   1246  HZ2 LYS B   9     -18.108   3.121  -4.389  1.00  3.99           H  
ATOM   1247  HZ3 LYS B   9     -18.410   3.325  -6.045  1.00  4.08           H  
ATOM   1248  N   SER B  10     -13.345   1.092   0.496  1.00  1.42           N  
ATOM   1249  CA  SER B  10     -13.427   0.002   1.532  1.00  1.75           C  
ATOM   1250  C   SER B  10     -14.661  -0.886   1.314  1.00  1.88           C  
ATOM   1251  O   SER B  10     -15.786  -0.465   1.494  1.00  2.26           O  
ATOM   1252  CB  SER B  10     -13.529   0.736   2.867  1.00  2.18           C  
ATOM   1253  OG  SER B  10     -12.575   1.790   2.897  1.00  2.95           O  
ATOM   1254  H   SER B  10     -12.985   1.970   0.748  1.00  1.38           H  
ATOM   1255  HA  SER B  10     -12.530  -0.596   1.514  1.00  1.89           H  
ATOM   1256  HB2 SER B  10     -14.517   1.149   2.980  1.00  2.36           H  
ATOM   1257  HB3 SER B  10     -13.337   0.041   3.674  1.00  2.45           H  
ATOM   1258  HG  SER B  10     -11.759   1.441   3.260  1.00  3.14           H  
ATOM   1259  N   TYR B  11     -14.445  -2.110   0.909  1.00  1.85           N  
ATOM   1260  CA  TYR B  11     -15.597  -3.040   0.651  1.00  2.30           C  
ATOM   1261  C   TYR B  11     -15.820  -3.944   1.866  1.00  2.81           C  
ATOM   1262  O   TYR B  11     -14.882  -4.398   2.484  1.00  2.97           O  
ATOM   1263  CB  TYR B  11     -15.269  -3.916  -0.603  1.00  2.34           C  
ATOM   1264  CG  TYR B  11     -13.894  -3.636  -1.202  1.00  2.52           C  
ATOM   1265  CD1 TYR B  11     -13.706  -2.533  -2.045  1.00  2.86           C  
ATOM   1266  CD2 TYR B  11     -12.811  -4.476  -0.903  1.00  2.96           C  
ATOM   1267  CE1 TYR B  11     -12.443  -2.273  -2.586  1.00  3.41           C  
ATOM   1268  CE2 TYR B  11     -11.550  -4.214  -1.448  1.00  3.46           C  
ATOM   1269  CZ  TYR B  11     -11.368  -3.113  -2.290  1.00  3.61           C  
ATOM   1270  OH  TYR B  11     -10.124  -2.851  -2.828  1.00  4.32           O  
ATOM   1271  H   TYR B  11     -13.526  -2.418   0.764  1.00  1.73           H  
ATOM   1272  HA  TYR B  11     -16.490  -2.464   0.463  1.00  2.53           H  
ATOM   1273  HB2 TYR B  11     -15.313  -4.955  -0.319  1.00  2.73           H  
ATOM   1274  HB3 TYR B  11     -16.023  -3.733  -1.356  1.00  2.43           H  
ATOM   1275  HD1 TYR B  11     -14.538  -1.885  -2.284  1.00  3.03           H  
ATOM   1276  HD2 TYR B  11     -12.948  -5.324  -0.252  1.00  3.23           H  
ATOM   1277  HE1 TYR B  11     -12.295  -1.419  -3.228  1.00  3.94           H  
ATOM   1278  HE2 TYR B  11     -10.717  -4.863  -1.221  1.00  3.99           H  
ATOM   1279  HH  TYR B  11      -9.908  -3.563  -3.434  1.00  4.78           H  
ATOM   1280  N   PRO B  12     -17.067  -4.178   2.167  1.00  3.28           N  
ATOM   1281  CA  PRO B  12     -17.421  -5.040   3.321  1.00  3.96           C  
ATOM   1282  C   PRO B  12     -17.115  -6.507   3.002  1.00  4.12           C  
ATOM   1283  O   PRO B  12     -16.374  -7.164   3.705  1.00  4.29           O  
ATOM   1284  CB  PRO B  12     -18.922  -4.816   3.487  1.00  4.45           C  
ATOM   1285  CG  PRO B  12     -19.400  -4.386   2.137  1.00  4.12           C  
ATOM   1286  CD  PRO B  12     -18.253  -3.671   1.470  1.00  3.43           C  
ATOM   1287  HA  PRO B  12     -16.898  -4.724   4.209  1.00  4.15           H  
ATOM   1288  HB2 PRO B  12     -19.408  -5.735   3.786  1.00  4.86           H  
ATOM   1289  HB3 PRO B  12     -19.109  -4.037   4.209  1.00  4.73           H  
ATOM   1290  HG2 PRO B  12     -19.688  -5.252   1.556  1.00  4.17           H  
ATOM   1291  HG3 PRO B  12     -20.237  -3.713   2.239  1.00  4.46           H  
ATOM   1292  HD2 PRO B  12     -18.213  -3.919   0.418  1.00  3.24           H  
ATOM   1293  HD3 PRO B  12     -18.338  -2.605   1.608  1.00  3.45           H  
ATOM   1294  N   ASP B  13     -17.679  -7.023   1.944  1.00  4.43           N  
ATOM   1295  CA  ASP B  13     -17.418  -8.445   1.578  1.00  4.75           C  
ATOM   1296  C   ASP B  13     -18.238  -8.834   0.346  1.00  4.77           C  
ATOM   1297  O   ASP B  13     -18.709  -7.937  -0.334  1.00  4.96           O  
ATOM   1298  CB  ASP B  13     -17.864  -9.256   2.796  1.00  5.62           C  
ATOM   1299  CG  ASP B  13     -16.858 -10.379   3.057  1.00  5.93           C  
ATOM   1300  OD1 ASP B  13     -15.677 -10.085   3.126  1.00  6.10           O  
ATOM   1301  OD2 ASP B  13     -17.288 -11.514   3.185  1.00  6.34           O  
ATOM   1302  OXT ASP B  13     -18.382 -10.021   0.104  1.00  5.01           O  
ATOM   1303  H   ASP B  13     -18.272  -6.476   1.388  1.00  4.67           H  
ATOM   1304  HA  ASP B  13     -16.366  -8.601   1.396  1.00  4.74           H  
ATOM   1305  HB2 ASP B  13     -17.915  -8.609   3.659  1.00  6.04           H  
ATOM   1306  HB3 ASP B  13     -18.837  -9.684   2.607  1.00  5.93           H  
TER    1307      ASP B  13                                                      
CONECT   43  310                                                                
CONECT  217  638                                                                
CONECT  310   43                                                                
CONECT  428  480                                                                
CONECT  480  428                                                                
CONECT  638  217                                                                
CONECT  682  856                                                                
CONECT  856  682                                                                
CONECT  866  935                                                                
CONECT  935  866                                                                
MASTER      144    0    0    0    5    0    0    6  666    2   10    7          
END