HEADER    IRON-SULFUR PROTEIN                     19-MAR-98   1A70              
TITLE     SPINACH FERREDOXIN                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERREDOXIN;                                                
COMPND   3 CHAIN: NULL;                                                         
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MUTATION: E92K                                                       
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA;                              
SOURCE   3 ORGANISM_COMMON: SPINACH;                                            
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
KEYWDS    IRON-SULFUR PROTEIN, PHOTOSYNTHESIS, ELECTRON TRANSPORT               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.BINDA,A.CODA,A.MATTEVI,A.ALIVERTI,G.ZANETTI                         
REVDAT   2   13-JAN-99 1A70A   3       ATOM   SOURCE COMPND REMARK              
REVDAT   2 2                   3       HETATM JRNL   KEYWDS TER                 
REVDAT   2 3                   3       CONECT                                   
REVDAT   1   25-NOV-98 1A70    0                                                
JRNL        AUTH   C.BINDA,A.CODA,A.ALIVERTI,G.ZANETTI,A.MATTEVI                
JRNL        TITL   STRUCTURE OF THE MUTANT E92K OF [2FE-2S] FERREDOXIN          
JRNL        TITL 2 I FROM SPINACIA OLERACEA AT 1.7 A RESOLUTION                 
JRNL        REF    ACTA CRYSTALLOGR.,SECT.D      V.  54  1353 1998              
JRNL        REFN   ASTM ABCRE6  DK ISSN 0907-4449                 0766          
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 1.7  ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : TNT 5D                                               
REMARK   3   AUTHORS     : TRONRUD,TEN EYCK,MATTHEWS                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.7                            
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 100.0                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.0                            
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 11755                          
REMARK   3                                                                      
REMARK   3  USING DATA ABOVE SIGMA CUTOFF.                                      
REMARK   3   CROSS-VALIDATION METHOD          : A POSTERIORI                    
REMARK   3   FREE R VALUE TEST SET SELECTION  : EVERY 10TH REFLECTION           
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.190                           
REMARK   3   R VALUE            (WORKING SET) : 0.182                           
REMARK   3   FREE R VALUE                     : 0.200                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.0                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 1090                            
REMARK   3                                                                      
REMARK   3  USING ALL DATA, NO SIGMA CUTOFF.                                    
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : 0.201                  
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : 0.196                  
REMARK   3   FREE R VALUE                  (NO CUTOFF) : 0.259                  
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10                     
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : 1176                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : 11755                  
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 736                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   OTHER ATOMS              : 81                                      
REMARK   3                                                                      
REMARK   3  WILSON B VALUE (FROM FCALC, A**2) : 5.1                             
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.    RMS    WEIGHT  COUNT           
REMARK   3   BOND LENGTHS                 (A) : 0.019 ; 70    ; 620             
REMARK   3   BOND ANGLES            (DEGREES) : 2.994 ; 90    ; 855             
REMARK   3   TORSION ANGLES         (DEGREES) : 18.50 ; 0.00  ; 300             
REMARK   3   PSEUDOROTATION ANGLES  (DEGREES) : NULL  ; NULL  ; NULL            
REMARK   3   TRIGONAL CARBON PLANES       (A) : 0.021 ; 70    ; 13              
REMARK   3   GENERAL PLANES               (A) : 0.021 ; 240   ; 94              
REMARK   3   ISOTROPIC THERMAL FACTORS (A**2) : 4.3   ; 2.1   ; 620             
REMARK   3   NON-BONDED CONTACTS          (A) : 0.039 ; 125   ; 9               
REMARK   3                                                                      
REMARK   3  INCORRECT CHIRAL-CENTERS (COUNT) : 1                                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : BABINET SCALING                                      
REMARK   3   KSOL        : 0.80                                                 
REMARK   3   BSOL        : 150                                                  
REMARK   3                                                                      
REMARK   3  RESTRAINT LIBRARIES.                                                
REMARK   3   STEREOCHEMISTRY : TNT PROTGEO                                      
REMARK   3   ISOTROPIC THERMAL FACTOR RESTRAINTS : TNT BCORREL V1.0             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1A70 COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996                        
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : JUN-1996                           
REMARK 200  TEMPERATURE           (KELVIN) : 293                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU-200B                     
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54                               
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE-PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU                             
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : AGROVATA                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 11755                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.70                               
REMARK 200  RESOLUTION RANGE LOW       (A) : INFINITY                           
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2                                  
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.6                               
REMARK 200  DATA REDUNDANCY                : 2.5                                
REMARK 200  R MERGE                    (I) : 0.078                              
REMARK 200  R SYM                      (I) : 0.112                              
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10                                 
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.7                      
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.8                      
REMARK 200  COMPLETENESS FOR SHELL     (%) : 68                                 
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.5                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.202                              
REMARK 200  R SYM FOR SHELL            (I) : 0.305                              
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2                                  
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR                    
REMARK 200    REPLACEMENT                                                       
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: PDB ENTRY 1FRR                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50                                        
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.5                      
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM            
REMARK 280 2.6M AMMONIUM SULPHATE IN 50MM PHOSPHATE BUFFER, PH 7.5              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   1/2-X,-Y,1/2+Z                                          
REMARK 290       3555   -X,1/2+Y,1/2-Z                                          
REMARK 290       4555   1/2+X,1/2-Y,-Z                                          
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       15.50003            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       41.76063            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       19.59017            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       41.76063            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       15.50003            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       19.59017            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 600                                                                      
REMARK 600 HETEROGEN                                                            
REMARK 600  FES: IRON-SULFUR CLUSTER COORDINATED BY RESIDUES 39, 44,            
REMARK 600  47, 77.                                                             
REMARK 860                                                                      
REMARK 860 CORRECTION AFTER RELEASE                                             
REMARK 860 DATE: 13-JAN-99                                                      
REMARK 860 MODID: 1A70A                                                         
REMARK 860 MODIFIED BY: PDB                                                     
REMARK 860 DESCRIPTION: CONVERTED FROM LAYER 1 OR NDB TO LAYER 2                
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 1A70       SWS     P00221       1 -    50 NOT IN ATOMS LIST          
DBREF  1A70      1    97  SWS    P00221   FER1_SPIOL      51    147             
SEQADV 1A70 LYS     92  SWS  P00221    GLU   142 ENGINEERED                     
SEQRES   1     97  ALA ALA TYR LYS VAL THR LEU VAL THR PRO THR GLY ASN          
SEQRES   2     97  VAL GLU PHE GLN CYS PRO ASP ASP VAL TYR ILE LEU ASP          
SEQRES   3     97  ALA ALA GLU GLU GLU GLY ILE ASP LEU PRO TYR SER CYS          
SEQRES   4     97  ARG ALA GLY SER CYS SER SER CYS ALA GLY LYS LEU LYS          
SEQRES   5     97  THR GLY SER LEU ASN GLN ASP ASP GLN SER PHE LEU ASP          
SEQRES   6     97  ASP ASP GLN ILE ASP GLU GLY TRP VAL LEU THR CYS ALA          
SEQRES   7     97  ALA TYR PRO VAL SER ASP VAL THR ILE GLU THR HIS LYS          
SEQRES   8     97  LYS GLU GLU LEU THR ALA                                      
HET    FES   1602       4                                                       
HETNAM     FES FE2/S2 (INORGANIC) CLUSTER                                       
FORMUL   2  FES    FE2 S2                                                       
FORMUL   3  HOH   *81(H2 O1)                                                    
HELIX    1   1 ILE     24  GLU     30  1                                   7    
HELIX    2   2 ASP     66  GLU     71  1                                   6    
HELIX    3   3 THR     76  ALA     78  5                                   3    
HELIX    4   4 LYS     92  GLU     94  5                                   3    
SHEET    1   A 5 GLY    12  PRO    19  0                                        
SHEET    2   A 5 ALA     2  THR     9 -1  N  THR     9   O  GLY    12           
SHEET    3   A 5 VAL    85  GLU    88  1  N  VAL    85   O  THR     6           
SHEET    4   A 5 ALA    48  THR    53 -1  N  THR    53   O  THR    86           
SHEET    5   A 5 TRP    73  LEU    75 -1  N  VAL    74   O  GLY    49           
LINK        FE1  FES  1602                 SG  CYS    39                        
LINK        FE1  FES  1602                 SG  CYS    44                        
LINK        FE2  FES  1602                 SG  CYS    47                        
LINK        FE2  FES  1602                 SG  CYS    77                        
CRYST1   31.000   39.180   83.520  90.00  90.00  90.00 P 21 21 21    4          
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      0.032258  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.025523  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011973        0.00000                         
ATOM      1  N   ALA     1       1.578  -4.284   5.235  1.00 64.26           N  
ATOM      2  CA  ALA     1       2.384  -5.448   5.549  1.00 56.75           C  
ATOM      3  C   ALA     1       3.756  -4.955   5.925  1.00 52.65           C  
ATOM      4  O   ALA     1       3.885  -4.610   7.073  1.00 48.15           O  
ATOM      5  CB  ALA     1       1.801  -6.118   6.780  1.00 57.60           C  
ATOM      6  N   ALA     2       4.702  -4.829   4.989  1.00 44.72           N  
ATOM      7  CA  ALA     2       6.033  -4.319   5.297  1.00 39.74           C  
ATOM      8  C   ALA     2       6.471  -3.432   4.151  1.00 38.97           C  
ATOM      9  O   ALA     2       6.000  -3.558   3.005  1.00 35.65           O  
ATOM     10  CB  ALA     2       6.977  -5.471   5.509  1.00 39.07           C  
ATOM     11  N   TYR     3       7.381  -2.517   4.408  1.00 35.77           N  
ATOM     12  CA  TYR     3       7.706  -1.626   3.320  1.00 34.41           C  
ATOM     13  C   TYR     3       9.186  -1.384   3.280  1.00 33.59           C  
ATOM     14  O   TYR     3       9.923  -1.779   4.188  1.00 31.95           O  
ATOM     15  CB  TYR     3       6.953  -0.249   3.319  1.00 39.83           C  
ATOM     16  CG  TYR     3       5.433  -0.309   3.472  1.00 45.38           C  
ATOM     17  CD1 TYR     3       4.627  -0.464   2.343  1.00 44.25           C  
ATOM     18  CD2 TYR     3       4.849  -0.181   4.741  1.00 42.82           C  
ATOM     19  CE1 TYR     3       3.235  -0.498   2.478  1.00 44.87           C  
ATOM     20  CE2 TYR     3       3.455  -0.215   4.877  1.00 31.11           C  
ATOM     21  CZ  TYR     3       2.650  -0.374   3.744  1.00 36.82           C  
ATOM     22  OH  TYR     3       1.297  -0.407   3.867  1.00 45.94           O  
ATOM     23  N   LYS     4       9.588  -0.749   2.216  1.00 25.97           N  
ATOM     24  CA  LYS     4      10.996  -0.492   1.999  1.00 26.02           C  
ATOM     25  C   LYS     4      11.389   0.887   2.512  1.00 27.15           C  
ATOM     26  O   LYS     4      10.856   1.920   2.077  1.00 29.78           O  
ATOM     27  CB  LYS     4      11.330  -0.599   0.521  1.00 28.74           C  
ATOM     28  CG  LYS     4      12.767  -0.182   0.231  1.00 41.18           C  
ATOM     29  CD  LYS     4      13.579  -1.258  -0.483  1.00 65.99           C  
ATOM     30  CE  LYS     4      13.898  -2.462   0.403  1.00 71.21           C  
ATOM     31  NZ  LYS     4      15.116  -3.169  -0.011  1.00100.00           N  
ATOM     32  N   VAL     5      12.331   0.863   3.439  1.00 25.81           N  
ATOM     33  CA  VAL     5      12.856   2.091   4.022  1.00 21.97           C  
ATOM     34  C   VAL     5      14.205   2.397   3.480  1.00 24.32           C  
ATOM     35  O   VAL     5      15.049   1.515   3.638  1.00 28.20           O  
ATOM     36  CB  VAL     5      12.952   2.019   5.546  1.00 26.13           C  
ATOM     37  CG1 VAL     5      13.589   3.279   6.154  1.00 24.03           C  
ATOM     38  CG2 VAL     5      11.587   1.886   6.220  1.00 28.00           C  
ATOM     39  N   THR     6      14.446   3.585   2.881  1.00 23.42           N  
ATOM     40  CA  THR     6      15.819   3.958   2.510  1.00 22.77           C  
ATOM     41  C   THR     6      16.295   5.055   3.506  1.00 27.61           C  
ATOM     42  O   THR     6      15.661   6.102   3.654  1.00 28.00           O  
ATOM     43  CB  THR     6      15.821   4.529   1.094  1.00 26.23           C  
ATOM     44  OG1 THR     6      15.370   3.515   0.217  1.00 27.15           O  
ATOM     45  CG2 THR     6      17.230   4.964   0.813  1.00 27.17           C  
ATOM     46  N   LEU     7      17.379   4.897   4.238  1.00 20.82           N  
ATOM     47  CA  LEU     7      17.815   5.979   5.096  1.00 18.17           C  
ATOM     48  C   LEU     7      19.102   6.537   4.478  1.00 26.80           C  
ATOM     49  O   LEU     7      20.054   5.815   4.166  1.00 31.28           O  
ATOM     50  CB  LEU     7      18.204   5.474   6.533  1.00 24.27           C  
ATOM     51  CG  LEU     7      17.064   4.808   7.373  1.00 25.99           C  
ATOM     52  CD1 LEU     7      17.597   4.132   8.670  1.00 28.24           C  
ATOM     53  CD2 LEU     7      15.847   5.760   7.582  1.00 23.18           C  
ATOM     54  N   VAL     8      19.178   7.825   4.390  1.00 24.64           N  
ATOM     55  CA  VAL     8      20.351   8.582   3.937  1.00 24.53           C  
ATOM     56  C   VAL     8      21.067   9.037   5.189  1.00 25.60           C  
ATOM     57  O   VAL     8      20.609  10.034   5.788  1.00 24.85           O  
ATOM     58  CB  VAL     8      19.949   9.817   3.074  1.00 26.13           C  
ATOM     59  CG1 VAL     8      21.154  10.667   2.669  1.00 26.51           C  
ATOM     60  CG2 VAL     8      19.153   9.301   1.862  1.00 23.87           C  
ATOM     61  N   THR     9      22.132   8.282   5.580  1.00 23.15           N  
ATOM     62  CA  THR     9      22.863   8.664   6.790  1.00 23.40           C  
ATOM     63  C   THR     9      24.173   9.314   6.438  1.00 33.13           C  
ATOM     64  O   THR     9      24.654   9.241   5.303  1.00 31.04           O  
ATOM     65  CB  THR     9      23.218   7.469   7.641  1.00 29.07           C  
ATOM     66  OG1 THR     9      24.437   6.916   7.123  1.00 34.25           O  
ATOM     67  CG2 THR     9      22.097   6.424   7.576  1.00 23.85           C  
ATOM     68  N   PRO    10      24.773   9.907   7.443  1.00 32.74           N  
ATOM     69  CA  PRO    10      26.012  10.626   7.192  1.00 40.21           C  
ATOM     70  C   PRO    10      27.145   9.843   6.552  1.00 39.02           C  
ATOM     71  O   PRO    10      27.994  10.367   5.811  1.00 40.41           O  
ATOM     72  CB  PRO    10      26.365  11.354   8.512  1.00 40.85           C  
ATOM     73  CG  PRO    10      25.100  11.360   9.383  1.00 38.81           C  
ATOM     74  CD  PRO    10      24.169  10.310   8.772  1.00 29.25           C  
ATOM     75  N   THR    11      27.149   8.583   6.860  1.00 29.69           N  
ATOM     76  CA  THR    11      28.191   7.741   6.370  1.00 31.68           C  
ATOM     77  C   THR    11      27.680   6.836   5.253  1.00 40.26           C  
ATOM     78  O   THR    11      28.315   5.815   4.937  1.00 32.78           O  
ATOM     79  CB  THR    11      28.745   6.892   7.546  1.00 35.16           C  
ATOM     80  OG1 THR    11      27.737   6.011   8.077  1.00 41.86           O  
ATOM     81  CG2 THR    11      29.280   7.785   8.637  1.00 34.63           C  
ATOM     82  N   GLY    12      26.479   7.095   4.715  1.00 29.29           N  
ATOM     83  CA  GLY    12      26.019   6.151   3.680  1.00 27.67           C  
ATOM     84  C   GLY    12      24.548   5.765   3.657  1.00 31.61           C  
ATOM     85  O   GLY    12      23.861   5.746   4.657  1.00 27.16           O  
ATOM     86  N   ASN    13      24.028   5.411   2.492  1.00 27.49           N  
ATOM     87  CA  ASN    13      22.641   4.967   2.352  1.00 28.15           C  
ATOM     88  C   ASN    13      22.472   3.508   2.820  1.00 34.35           C  
ATOM     89  O   ASN    13      23.261   2.592   2.523  1.00 34.29           O  
ATOM     90  CB  ASN    13      22.229   5.041   0.859  1.00 22.27           C  
ATOM     91  CG  ASN    13      22.215   6.448   0.279  1.00 28.56           C  
ATOM     92  OD1 ASN    13      22.151   7.484   0.966  1.00 29.38           O  
ATOM     93  ND2 ASN    13      22.260   6.532  -1.054  1.00 29.02           N  
ATOM     94  N   VAL    14      21.376   3.154   3.448  1.00 24.93           N  
ATOM     95  CA  VAL    14      21.199   1.768   3.845  1.00 24.17           C  
ATOM     96  C   VAL    14      19.689   1.494   3.624  1.00 35.26           C  
ATOM     97  O   VAL    14      18.847   2.366   3.880  1.00 34.14           O  
ATOM     98  CB  VAL    14      21.457   1.553   5.350  1.00 35.72           C  
ATOM     99  CG1 VAL    14      22.781   2.158   5.819  1.00 45.19           C  
ATOM    100  CG2 VAL    14      20.379   2.191   6.228  1.00 37.45           C  
ATOM    101  N   GLU    15      19.318   0.319   3.133  1.00 25.56           N  
ATOM    102  CA  GLU    15      17.873  -0.022   2.949  1.00 24.81           C  
ATOM    103  C   GLU    15      17.513  -1.257   3.780  1.00 28.51           C  
ATOM    104  O   GLU    15      18.367  -2.054   4.152  1.00 39.92           O  
ATOM    105  CB  GLU    15      17.528  -0.396   1.499  1.00 26.55           C  
ATOM    106  CG  GLU    15      18.058   0.554   0.428  1.00 76.87           C  
ATOM    107  CD  GLU    15      17.768   0.033  -0.987  1.00100.00           C  
ATOM    108  OE1 GLU    15      17.197  -1.116  -1.149  1.00 68.35           O  
ATOM    109  OE2 GLU    15      18.097   0.737  -2.014  1.00100.00           O  
ATOM    110  N   PHE    16      16.247  -1.431   4.065  1.00 26.52           N  
ATOM    111  CA  PHE    16      15.777  -2.608   4.823  1.00 28.30           C  
ATOM    112  C   PHE    16      14.244  -2.584   4.803  1.00 33.00           C  
ATOM    113  O   PHE    16      13.635  -1.520   4.649  1.00 30.39           O  
ATOM    114  CB  PHE    16      16.306  -2.569   6.266  1.00 32.53           C  
ATOM    115  CG  PHE    16      15.886  -1.332   7.078  1.00 25.02           C  
ATOM    116  CD1 PHE    16      14.640  -1.297   7.723  1.00 32.70           C  
ATOM    117  CD2 PHE    16      16.753  -0.235   7.192  1.00 28.27           C  
ATOM    118  CE1 PHE    16      14.269  -0.176   8.481  1.00 33.73           C  
ATOM    119  CE2 PHE    16      16.383   0.883   7.952  1.00 30.83           C  
ATOM    120  CZ  PHE    16      15.142   0.913   8.597  1.00 28.38           C  
ATOM    121  N   GLN    17      13.645  -3.759   4.941  1.00 35.55           N  
ATOM    122  CA  GLN    17      12.164  -3.892   4.941  1.00 33.09           C  
ATOM    123  C   GLN    17      11.622  -3.664   6.368  1.00 36.52           C  
ATOM    124  O   GLN    17      12.161  -4.187   7.348  1.00 34.16           O  
ATOM    125  CB  GLN    17      11.745  -5.297   4.473  1.00 40.84           C  
ATOM    126  CG  GLN    17      12.118  -5.610   3.015  1.00 75.19           C  
ATOM    127  CD  GLN    17      11.176  -5.056   1.937  1.00100.00           C  
ATOM    128  OE1 GLN    17      10.033  -5.500   1.819  1.00 91.53           O  
ATOM    129  NE2 GLN    17      11.600  -4.099   1.131  1.00 56.40           N  
ATOM    130  N   CYS    18      10.541  -2.882   6.483  1.00 32.45           N  
ATOM    131  CA  CYS    18       9.949  -2.554   7.813  1.00 34.72           C  
ATOM    132  C   CYS    18       8.464  -2.778   7.839  1.00 34.29           C  
ATOM    133  O   CYS    18       7.700  -2.208   7.075  1.00 31.05           O  
ATOM    134  CB  CYS    18      10.249  -1.090   8.161  1.00 29.02           C  
ATOM    135  SG  CYS    18       9.658  -0.587   9.853  1.00 28.94           S  
ATOM    136  N   PRO    19       8.085  -3.629   8.787  1.00 33.32           N  
ATOM    137  CA  PRO    19       6.690  -3.963   9.026  1.00 32.10           C  
ATOM    138  C   PRO    19       6.006  -2.702   9.499  1.00 40.78           C  
ATOM    139  O   PRO    19       6.592  -1.893  10.222  1.00 36.47           O  
ATOM    140  CB  PRO    19       6.661  -5.023  10.134  1.00 34.58           C  
ATOM    141  CG  PRO    19       8.108  -5.439  10.360  1.00 38.47           C  
ATOM    142  CD  PRO    19       9.005  -4.461   9.587  1.00 36.38           C  
ATOM    143  N   ASP    20       4.761  -2.545   9.044  1.00 34.47           N  
ATOM    144  CA  ASP    20       3.939  -1.390   9.316  1.00 33.10           C  
ATOM    145  C   ASP    20       3.594  -1.249  10.782  1.00 37.33           C  
ATOM    146  O   ASP    20       3.007  -0.234  11.167  1.00 33.51           O  
ATOM    147  CB  ASP    20       2.776  -1.182   8.329  1.00 44.18           C  
ATOM    148  CG  ASP    20       1.663  -2.172   8.473  1.00 58.88           C  
ATOM    149  OD1 ASP    20       1.737  -3.155   9.206  1.00 56.81           O  
ATOM    150  OD2 ASP    20       0.598  -1.806   7.784  1.00 79.64           O  
ATOM    151  N   ASP    21       3.977  -2.293  11.543  1.00 35.64           N  
ATOM    152  CA  ASP    21       3.728  -2.237  12.962  1.00 40.82           C  
ATOM    153  C   ASP    21       4.983  -2.105  13.764  1.00 45.13           C  
ATOM    154  O   ASP    21       4.965  -2.495  14.923  1.00 45.86           O  
ATOM    155  CB  ASP    21       2.706  -3.233  13.568  1.00 39.20           C  
ATOM    156  CG  ASP    21       3.075  -4.710  13.573  1.00 64.17           C  
ATOM    157  OD1 ASP    21       4.036  -5.157  12.965  1.00 61.46           O  
ATOM    158  OD2 ASP    21       2.230  -5.476  14.256  1.00 79.00           O  
ATOM    159  N   VAL    22       6.067  -1.601  13.191  1.00 30.02           N  
ATOM    160  CA  VAL    22       7.303  -1.467  13.989  1.00 23.17           C  
ATOM    161  C   VAL    22       7.875  -0.083  13.703  1.00 37.42           C  
ATOM    162  O   VAL    22       7.841   0.425  12.545  1.00 29.14           O  
ATOM    163  CB  VAL    22       8.279  -2.554  13.524  1.00 35.95           C  
ATOM    164  CG1 VAL    22       9.671  -2.333  14.072  1.00 33.42           C  
ATOM    165  CG2 VAL    22       7.790  -3.977  13.845  1.00 40.60           C  
ATOM    166  N   TYR    23       8.319   0.603  14.747  1.00 31.07           N  
ATOM    167  CA  TYR    23       8.868   1.922  14.526  1.00 23.20           C  
ATOM    168  C   TYR    23      10.146   1.813  13.697  1.00 20.53           C  
ATOM    169  O   TYR    23      10.967   0.886  13.815  1.00 22.64           O  
ATOM    170  CB  TYR    23       9.207   2.601  15.864  1.00 24.89           C  
ATOM    171  CG  TYR    23       8.048   2.917  16.813  1.00 29.11           C  
ATOM    172  CD1 TYR    23       6.967   3.710  16.422  1.00 25.37           C  
ATOM    173  CD2 TYR    23       8.087   2.419  18.126  1.00 29.47           C  
ATOM    174  CE1 TYR    23       5.959   3.981  17.342  1.00 33.05           C  
ATOM    175  CE2 TYR    23       7.167   2.794  19.097  1.00 27.42           C  
ATOM    176  CZ  TYR    23       6.100   3.579  18.677  1.00 29.98           C  
ATOM    177  OH  TYR    23       5.135   3.895  19.566  1.00 32.49           O  
ATOM    178  N   ILE    24      10.358   2.857  12.891  1.00 26.63           N  
ATOM    179  CA  ILE    24      11.544   3.002  12.045  1.00 23.62           C  
ATOM    180  C   ILE    24      12.848   2.723  12.839  1.00 27.47           C  
ATOM    181  O   ILE    24      13.721   1.942  12.446  1.00 25.11           O  
ATOM    182  CB  ILE    24      11.530   4.355  11.265  1.00 27.34           C  
ATOM    183  CG1 ILE    24      10.308   4.326  10.338  1.00 27.39           C  
ATOM    184  CG2 ILE    24      12.839   4.618  10.484  1.00 25.71           C  
ATOM    185  CD1 ILE    24      10.409   5.326   9.248  1.00 35.33           C  
ATOM    186  N   LEU    25      13.016   3.398  13.982  1.00 21.68           N  
ATOM    187  CA  LEU    25      14.226   3.232  14.751  1.00 23.19           C  
ATOM    188  C   LEU    25      14.494   1.805  15.152  1.00 19.67           C  
ATOM    189  O   LEU    25      15.622   1.287  15.036  1.00 21.97           O  
ATOM    190  CB  LEU    25      14.214   4.251  15.971  1.00 25.03           C  
ATOM    191  CG  LEU    25      15.399   4.134  16.985  1.00 33.85           C  
ATOM    192  CD1 LEU    25      16.767   4.626  16.432  1.00 28.22           C  
ATOM    193  CD2 LEU    25      15.003   4.794  18.321  1.00 23.35           C  
ATOM    194  N   ASP    26      13.445   1.170  15.740  1.00 21.80           N  
ATOM    195  CA  ASP    26      13.567  -0.238  16.197  1.00 24.22           C  
ATOM    196  C   ASP    26      13.968  -1.184  15.076  1.00 28.12           C  
ATOM    197  O   ASP    26      14.887  -2.035  15.191  1.00 26.29           O  
ATOM    198  CB  ASP    26      12.229  -0.815  16.715  1.00 26.64           C  
ATOM    199  CG  ASP    26      11.713  -0.170  18.009  1.00 37.98           C  
ATOM    200  OD1 ASP    26      12.168   0.845  18.458  1.00 46.55           O  
ATOM    201  OD2 ASP    26      10.581  -0.638  18.464  1.00 44.33           O  
ATOM    202  N   ALA    27      13.266  -0.995  13.938  1.00 28.45           N  
ATOM    203  CA  ALA    27      13.559  -1.804  12.709  1.00 30.31           C  
ATOM    204  C   ALA    27      15.013  -1.637  12.266  1.00 24.55           C  
ATOM    205  O   ALA    27      15.704  -2.620  11.990  1.00 26.78           O  
ATOM    206  CB  ALA    27      12.584  -1.510  11.550  1.00 27.80           C  
ATOM    207  N   ALA    28      15.467  -0.370  12.227  1.00 21.71           N  
ATOM    208  CA  ALA    28      16.844  -0.113  11.872  1.00 22.96           C  
ATOM    209  C   ALA    28      17.837  -0.801  12.830  1.00 31.14           C  
ATOM    210  O   ALA    28      18.866  -1.394  12.440  1.00 29.37           O  
ATOM    211  CB  ALA    28      17.190   1.365  11.769  1.00 30.64           C  
ATOM    212  N   GLU    29      17.519  -0.733  14.138  1.00 32.57           N  
ATOM    213  CA  GLU    29      18.383  -1.339  15.157  1.00 33.34           C  
ATOM    214  C   GLU    29      18.598  -2.824  14.926  1.00 23.91           C  
ATOM    215  O   GLU    29      19.748  -3.285  14.959  1.00 29.83           O  
ATOM    216  CB  GLU    29      17.921  -0.963  16.602  1.00 25.60           C  
ATOM    217  CG  GLU    29      18.305   0.502  16.913  1.00 24.44           C  
ATOM    218  CD  GLU    29      17.457   1.018  18.046  1.00 25.19           C  
ATOM    219  OE1 GLU    29      16.460   0.426  18.438  1.00 24.78           O  
ATOM    220  OE2 GLU    29      17.923   2.098  18.586  1.00 23.81           O  
ATOM    221  N   GLU    30      17.448  -3.455  14.709  1.00 27.47           N  
ATOM    222  CA  GLU    30      17.286  -4.882  14.380  1.00 37.83           C  
ATOM    223  C   GLU    30      18.140  -5.359  13.188  1.00 40.11           C  
ATOM    224  O   GLU    30      18.573  -6.495  13.120  1.00 39.63           O  
ATOM    225  CB  GLU    30      15.794  -5.252  14.170  1.00 40.07           C  
ATOM    226  CG  GLU    30      14.957  -5.155  15.458  1.00 42.44           C  
ATOM    227  CD  GLU    30      13.539  -5.612  15.275  1.00 56.36           C  
ATOM    228  OE1 GLU    30      13.164  -6.260  14.314  1.00 50.54           O  
ATOM    229  OE2 GLU    30      12.725  -5.114  16.174  1.00 36.99           O  
ATOM    230  N   GLU    31      18.344  -4.473  12.222  1.00 38.32           N  
ATOM    231  CA  GLU    31      19.177  -4.703  11.071  1.00 35.60           C  
ATOM    232  C   GLU    31      20.646  -4.398  11.378  1.00 52.16           C  
ATOM    233  O   GLU    31      21.518  -4.562  10.510  1.00 49.05           O  
ATOM    234  CB  GLU    31      18.620  -3.894   9.866  1.00 32.36           C  
ATOM    235  CG  GLU    31      17.343  -4.552   9.270  1.00 42.97           C  
ATOM    236  CD  GLU    31      17.511  -6.010   8.860  1.00 67.41           C  
ATOM    237  OE1 GLU    31      18.482  -6.441   8.262  1.00 80.04           O  
ATOM    238  OE2 GLU    31      16.571  -6.805   9.318  1.00 80.93           O  
ATOM    239  N   GLY    32      20.934  -3.911  12.608  1.00 36.45           N  
ATOM    240  CA  GLY    32      22.297  -3.587  13.006  1.00 31.78           C  
ATOM    241  C   GLY    32      22.778  -2.203  12.703  1.00 31.69           C  
ATOM    242  O   GLY    32      23.972  -1.976  12.642  1.00 34.57           O  
ATOM    243  N   ILE    33      21.850  -1.251  12.501  1.00 35.35           N  
ATOM    244  CA  ILE    33      22.177   0.144  12.177  1.00 28.42           C  
ATOM    245  C   ILE    33      22.256   1.009  13.444  1.00 33.98           C  
ATOM    246  O   ILE    33      21.378   0.942  14.287  1.00 32.45           O  
ATOM    247  CB  ILE    33      21.135   0.765  11.251  1.00 31.00           C  
ATOM    248  CG1 ILE    33      20.902  -0.025   9.950  1.00 47.25           C  
ATOM    249  CG2 ILE    33      21.426   2.216  10.846  1.00 27.16           C  
ATOM    250  CD1 ILE    33      19.920   0.766   9.061  1.00 51.98           C  
ATOM    251  N   ASP    34      23.258   1.860  13.579  1.00 31.29           N  
ATOM    252  CA  ASP    34      23.303   2.712  14.757  1.00 34.35           C  
ATOM    253  C   ASP    34      22.744   4.100  14.464  1.00 43.06           C  
ATOM    254  O   ASP    34      23.349   4.874  13.724  1.00 33.14           O  
ATOM    255  CB  ASP    34      24.761   2.854  15.196  1.00 38.16           C  
ATOM    256  CG  ASP    34      24.920   3.628  16.465  1.00 60.77           C  
ATOM    257  OD1 ASP    34      24.013   4.180  17.048  1.00 67.71           O  
ATOM    258  OD2 ASP    34      26.160   3.670  16.870  1.00100.00           O  
ATOM    259  N   LEU    35      21.606   4.432  15.063  1.00 25.84           N  
ATOM    260  CA  LEU    35      20.982   5.725  14.886  1.00 25.49           C  
ATOM    261  C   LEU    35      20.972   6.503  16.230  1.00 30.02           C  
ATOM    262  O   LEU    35      20.894   5.970  17.324  1.00 30.20           O  
ATOM    263  CB  LEU    35      19.524   5.626  14.330  1.00 29.86           C  
ATOM    264  CG  LEU    35      19.326   4.995  12.913  1.00 34.99           C  
ATOM    265  CD1 LEU    35      17.826   5.101  12.508  1.00 25.92           C  
ATOM    266  CD2 LEU    35      20.204   5.766  11.885  1.00 28.46           C  
ATOM    267  N   PRO    36      20.991   7.774  16.189  1.00 24.98           N  
ATOM    268  CA  PRO    36      20.915   8.450  17.496  1.00 27.92           C  
ATOM    269  C   PRO    36      19.519   8.369  18.150  1.00 34.05           C  
ATOM    270  O   PRO    36      18.406   8.438  17.518  1.00 24.43           O  
ATOM    271  CB  PRO    36      21.187   9.939  17.172  1.00 25.14           C  
ATOM    272  CG  PRO    36      21.223  10.101  15.644  1.00 33.38           C  
ATOM    273  CD  PRO    36      21.123   8.723  15.027  1.00 27.27           C  
ATOM    274  N   TYR    37      19.578   8.381  19.481  1.00 24.54           N  
ATOM    275  CA  TYR    37      18.347   8.494  20.237  1.00 24.90           C  
ATOM    276  C   TYR    37      18.650   8.899  21.687  1.00 44.09           C  
ATOM    277  O   TYR    37      19.790   8.838  22.140  1.00 28.24           O  
ATOM    278  CB  TYR    37      17.491   7.256  20.362  1.00 18.81           C  
ATOM    279  CG  TYR    37      18.233   6.159  21.122  1.00 24.63           C  
ATOM    280  CD1 TYR    37      19.137   5.311  20.464  1.00 26.04           C  
ATOM    281  CD2 TYR    37      18.018   5.944  22.486  1.00 29.97           C  
ATOM    282  CE1 TYR    37      19.817   4.294  21.132  1.00 30.23           C  
ATOM    283  CE2 TYR    37      18.673   4.912  23.167  1.00 24.88           C  
ATOM    284  CZ  TYR    37      19.581   4.091  22.501  1.00 30.95           C  
ATOM    285  OH  TYR    37      20.213   3.062  23.175  1.00 38.22           O  
ATOM    286  N   SER    38      17.595   9.277  22.418  1.00 29.18           N  
ATOM    287  CA  SER    38      17.725   9.558  23.845  1.00 32.26           C  
ATOM    288  C   SER    38      16.490   9.055  24.659  1.00 25.30           C  
ATOM    289  O   SER    38      16.606   7.975  25.282  1.00 25.32           O  
ATOM    290  CB  SER    38      18.302  10.927  24.200  1.00 22.00           C  
ATOM    291  OG  SER    38      17.293  11.869  24.016  1.00 33.52           O  
ATOM    292  N   CYS    39      15.380   9.816  24.591  1.00 23.71           N  
ATOM    293  CA  CYS    39      14.183   9.490  25.362  1.00 26.55           C  
ATOM    294  C   CYS    39      13.438   8.285  24.842  1.00 34.48           C  
ATOM    295  O   CYS    39      12.786   7.587  25.618  1.00 26.18           O  
ATOM    296  CB  CYS    39      13.199  10.697  25.491  1.00 29.83           C  
ATOM    297  SG  CYS    39      12.242  11.025  23.939  1.00 29.79           S  
ATOM    298  N   ARG    40      13.487   8.054  23.495  1.00 24.58           N  
ATOM    299  CA  ARG    40      12.723   6.913  22.913  1.00 28.18           C  
ATOM    300  C   ARG    40      11.205   7.064  23.170  1.00 30.09           C  
ATOM    301  O   ARG    40      10.487   6.085  23.025  1.00 31.35           O  
ATOM    302  CB  ARG    40      13.215   5.463  23.156  1.00 26.06           C  
ATOM    303  CG  ARG    40      14.725   5.291  22.954  1.00 26.48           C  
ATOM    304  CD  ARG    40      15.197   3.855  23.177  1.00 29.25           C  
ATOM    305  NE  ARG    40      14.665   2.882  22.173  1.00 29.50           N  
ATOM    306  CZ  ARG    40      15.384   2.358  21.164  1.00 24.32           C  
ATOM    307  NH1 ARG    40      16.675   2.663  20.962  1.00 22.08           N  
ATOM    308  NH2 ARG    40      14.730   1.522  20.369  1.00 24.44           N  
ATOM    309  N   ALA    41      10.703   8.251  23.551  1.00 30.98           N  
ATOM    310  CA  ALA    41       9.258   8.340  23.833  1.00 35.10           C  
ATOM    311  C   ALA    41       8.586   9.429  23.005  1.00 32.60           C  
ATOM    312  O   ALA    41       7.617   9.978  23.480  1.00 33.61           O  
ATOM    313  CB  ALA    41       9.061   8.685  25.305  1.00 32.00           C  
ATOM    314  N   GLY    42       9.184   9.924  21.887  1.00 37.71           N  
ATOM    315  CA  GLY    42       8.569  11.038  21.100  1.00 32.94           C  
ATOM    316  C   GLY    42       8.463  12.452  21.726  1.00 33.79           C  
ATOM    317  O   GLY    42       7.614  13.321  21.347  1.00 27.19           O  
ATOM    318  N   SER    43       9.383  12.734  22.670  1.00 29.21           N  
ATOM    319  CA  SER    43       9.217  14.009  23.222  1.00 27.72           C  
ATOM    320  C   SER    43      10.468  14.838  23.104  1.00 36.35           C  
ATOM    321  O   SER    43      10.575  15.886  23.772  1.00 37.69           O  
ATOM    322  CB  SER    43       8.702  13.848  24.657  1.00 41.18           C  
ATOM    323  OG  SER    43       9.762  13.391  25.438  1.00 37.35           O  
ATOM    324  N   CYS    44      11.424  14.383  22.281  1.00 24.01           N  
ATOM    325  CA  CYS    44      12.645  15.163  22.186  1.00 26.72           C  
ATOM    326  C   CYS    44      13.177  15.352  20.744  1.00 34.67           C  
ATOM    327  O   CYS    44      12.489  14.868  19.850  1.00 30.25           O  
ATOM    328  CB  CYS    44      13.745  14.604  23.122  1.00 22.69           C  
ATOM    329  SG  CYS    44      14.770  13.299  22.485  1.00 24.81           S  
ATOM    330  N   SER    45      14.308  16.078  20.499  1.00 24.73           N  
ATOM    331  CA  SER    45      14.777  16.268  19.112  1.00 26.39           C  
ATOM    332  C   SER    45      15.868  15.266  18.722  1.00 30.37           C  
ATOM    333  O   SER    45      16.412  15.218  17.615  1.00 28.25           O  
ATOM    334  CB  SER    45      15.275  17.674  18.949  1.00 27.38           C  
ATOM    335  OG  SER    45      16.431  17.813  19.806  1.00 29.38           O  
ATOM    336  N   SER    46      16.301  14.457  19.674  1.00 21.91           N  
ATOM    337  CA  SER    46      17.426  13.616  19.381  1.00 21.12           C  
ATOM    338  C   SER    46      17.353  12.724  18.144  1.00 25.42           C  
ATOM    339  O   SER    46      18.410  12.471  17.586  1.00 26.31           O  
ATOM    340  CB  SER    46      17.834  12.702  20.561  1.00 28.46           C  
ATOM    341  OG  SER    46      18.253  13.537  21.616  1.00 36.10           O  
ATOM    342  N   CYS    47      16.247  12.026  17.904  1.00 21.93           N  
ATOM    343  CA  CYS    47      16.202  11.056  16.827  1.00 21.80           C  
ATOM    344  C   CYS    47      15.649  11.698  15.536  1.00 21.02           C  
ATOM    345  O   CYS    47      15.149  10.997  14.648  1.00 23.37           O  
ATOM    346  CB  CYS    47      15.227   9.940  17.245  1.00 20.46           C  
ATOM    347  SG  CYS    47      13.560  10.572  17.479  1.00 24.27           S  
ATOM    348  N   ALA    48      15.664  12.998  15.481  1.00 23.57           N  
ATOM    349  CA  ALA    48      15.062  13.721  14.300  1.00 27.12           C  
ATOM    350  C   ALA    48      15.728  13.356  12.956  1.00 23.33           C  
ATOM    351  O   ALA    48      16.985  13.288  12.810  1.00 22.29           O  
ATOM    352  CB  ALA    48      15.001  15.246  14.459  1.00 23.21           C  
ATOM    353  N   GLY    49      14.841  13.313  11.994  1.00 26.74           N  
ATOM    354  CA  GLY    49      15.186  13.132  10.580  1.00 29.02           C  
ATOM    355  C   GLY    49      14.265  14.081   9.719  1.00 28.23           C  
ATOM    356  O   GLY    49      13.303  14.752  10.210  1.00 20.19           O  
ATOM    357  N   LYS    50      14.518  14.061   8.367  1.00 22.94           N  
ATOM    358  CA  LYS    50      13.710  14.863   7.373  1.00 21.93           C  
ATOM    359  C   LYS    50      13.181  13.817   6.316  1.00 27.46           C  
ATOM    360  O   LYS    50      13.986  13.010   5.743  1.00 22.40           O  
ATOM    361  CB  LYS    50      14.564  15.966   6.685  1.00 22.08           C  
ATOM    362  CG  LYS    50      14.605  17.254   7.500  1.00 70.03           C  
ATOM    363  CD  LYS    50      13.535  18.294   7.153  1.00 70.65           C  
ATOM    364  CE  LYS    50      14.198  19.537   6.556  1.00 95.81           C  
ATOM    365  NZ  LYS    50      13.315  20.498   5.873  1.00100.00           N  
ATOM    366  N   LEU    51      11.843  13.756   6.190  1.00 23.93           N  
ATOM    367  CA  LEU    51      11.182  12.820   5.242  1.00 22.04           C  
ATOM    368  C   LEU    51      11.343  13.464   3.811  1.00 26.89           C  
ATOM    369  O   LEU    51      11.019  14.617   3.489  1.00 26.02           O  
ATOM    370  CB  LEU    51       9.711  12.786   5.619  1.00 23.42           C  
ATOM    371  CG  LEU    51       8.853  12.151   4.557  1.00 26.07           C  
ATOM    372  CD1 LEU    51       9.040  10.663   4.609  1.00 32.32           C  
ATOM    373  CD2 LEU    51       7.389  12.360   4.843  1.00 35.33           C  
ATOM    374  N   LYS    52      11.980  12.719   2.963  1.00 24.44           N  
ATOM    375  CA  LYS    52      12.215  13.149   1.602  1.00 23.16           C  
ATOM    376  C   LYS    52      11.098  12.677   0.642  1.00 30.50           C  
ATOM    377  O   LYS    52      10.510  13.473  -0.152  1.00 32.15           O  
ATOM    378  CB  LYS    52      13.547  12.573   1.200  1.00 24.68           C  
ATOM    379  CG  LYS    52      14.590  13.069   2.203  1.00 61.41           C  
ATOM    380  CD  LYS    52      14.704  14.575   2.120  1.00 88.91           C  
ATOM    381  CE  LYS    52      15.163  15.276   3.378  1.00 99.36           C  
ATOM    382  NZ  LYS    52      15.668  16.630   3.069  1.00100.00           N  
ATOM    383  N   THR    53      10.723  11.429   0.796  1.00 22.25           N  
ATOM    384  CA  THR    53       9.693  10.822  -0.062  1.00 24.34           C  
ATOM    385  C   THR    53       8.818   9.802   0.661  1.00 27.89           C  
ATOM    386  O   THR    53       9.369   8.972   1.390  1.00 28.95           O  
ATOM    387  CB  THR    53      10.434   9.920  -1.104  1.00 31.58           C  
ATOM    388  OG1 THR    53      11.485  10.615  -1.745  1.00 36.65           O  
ATOM    389  CG2 THR    53       9.392   9.465  -2.097  1.00 28.92           C  
ATOM    390  N   GLY    54       7.520   9.785   0.437  1.00 23.82           N  
ATOM    391  CA  GLY    54       6.697   8.779   1.103  1.00 22.96           C  
ATOM    392  C   GLY    54       5.747   9.381   2.211  1.00 21.97           C  
ATOM    393  O   GLY    54       5.664  10.588   2.423  1.00 25.52           O  
ATOM    394  N   SER    55       5.072   8.494   2.960  1.00 25.22           N  
ATOM    395  CA  SER    55       4.154   8.875   4.011  1.00 28.49           C  
ATOM    396  C   SER    55       4.486   8.103   5.302  1.00 24.34           C  
ATOM    397  O   SER    55       4.973   6.965   5.258  1.00 27.68           O  
ATOM    398  CB  SER    55       2.761   8.352   3.609  1.00 29.79           C  
ATOM    399  OG  SER    55       2.398   8.865   2.336  1.00 41.45           O  
ATOM    400  N   LEU    56       4.183   8.723   6.426  1.00 26.66           N  
ATOM    401  CA  LEU    56       4.424   8.134   7.760  1.00 25.62           C  
ATOM    402  C   LEU    56       3.240   8.370   8.687  1.00 30.33           C  
ATOM    403  O   LEU    56       2.434   9.273   8.469  1.00 29.36           O  
ATOM    404  CB  LEU    56       5.559   8.867   8.490  1.00 26.75           C  
ATOM    405  CG  LEU    56       6.906   8.861   7.782  1.00 34.83           C  
ATOM    406  CD1 LEU    56       7.858   9.937   8.326  1.00 29.42           C  
ATOM    407  CD2 LEU    56       7.639   7.531   7.941  1.00 28.43           C  
ATOM    408  N   ASN    57       3.150   7.556   9.719  1.00 28.09           N  
ATOM    409  CA  ASN    57       2.162   7.782  10.791  1.00 24.87           C  
ATOM    410  C   ASN    57       2.970   8.183  12.032  1.00 23.91           C  
ATOM    411  O   ASN    57       3.748   7.365  12.556  1.00 25.64           O  
ATOM    412  CB  ASN    57       1.327   6.524  11.056  1.00 26.11           C  
ATOM    413  CG  ASN    57       0.408   6.647  12.288  1.00 35.12           C  
ATOM    414  OD1 ASN    57       0.559   7.569  13.092  1.00 40.95           O  
ATOM    415  ND2 ASN    57      -0.544   5.753  12.492  1.00 41.01           N  
ATOM    416  N   GLN    58       2.776   9.444  12.447  1.00 27.37           N  
ATOM    417  CA  GLN    58       3.511  10.052  13.595  1.00 31.76           C  
ATOM    418  C   GLN    58       2.582  10.362  14.800  1.00 34.04           C  
ATOM    419  O   GLN    58       2.879  11.183  15.671  1.00 29.19           O  
ATOM    420  CB  GLN    58       4.233  11.333  13.150  1.00 25.80           C  
ATOM    421  CG  GLN    58       5.444  11.050  12.242  1.00 28.40           C  
ATOM    422  CD  GLN    58       6.459  12.201  12.190  1.00 47.72           C  
ATOM    423  OE1 GLN    58       6.420  13.019  11.268  1.00 34.30           O  
ATOM    424  NE2 GLN    58       7.377  12.316  13.133  1.00 26.13           N  
ATOM    425  N   ASP    59       1.433   9.693  14.869  1.00 36.72           N  
ATOM    426  CA  ASP    59       0.490   9.937  15.971  1.00 38.66           C  
ATOM    427  C   ASP    59       1.091   9.815  17.356  1.00 35.94           C  
ATOM    428  O   ASP    59       0.654  10.514  18.266  1.00 39.04           O  
ATOM    429  CB  ASP    59      -0.584   8.841  15.935  1.00 42.70           C  
ATOM    430  CG  ASP    59      -1.530   8.991  14.788  1.00 46.32           C  
ATOM    431  OD1 ASP    59      -1.658  10.028  14.186  1.00 38.83           O  
ATOM    432  OD2 ASP    59      -2.364   7.994  14.691  1.00 59.49           O  
ATOM    433  N   ASP    60       1.995   8.847  17.545  1.00 24.98           N  
ATOM    434  CA  ASP    60       2.571   8.658  18.857  1.00 24.28           C  
ATOM    435  C   ASP    60       3.580   9.740  19.204  1.00 40.65           C  
ATOM    436  O   ASP    60       4.138   9.656  20.278  1.00 43.03           O  
ATOM    437  CB  ASP    60       3.322   7.326  18.890  1.00 27.18           C  
ATOM    438  CG  ASP    60       2.315   6.216  18.808  1.00 57.16           C  
ATOM    439  OD1 ASP    60       1.117   6.432  18.881  1.00 51.58           O  
ATOM    440  OD2 ASP    60       2.833   5.017  18.626  1.00 41.88           O  
ATOM    441  N   GLN    61       3.968  10.668  18.334  1.00 27.55           N  
ATOM    442  CA  GLN    61       4.973  11.625  18.768  1.00 30.08           C  
ATOM    443  C   GLN    61       4.316  12.872  19.438  1.00 40.72           C  
ATOM    444  O   GLN    61       3.179  13.216  19.124  1.00 34.19           O  
ATOM    445  CB  GLN    61       5.776  12.028  17.544  1.00 33.63           C  
ATOM    446  CG  GLN    61       5.117  13.131  16.681  1.00 25.93           C  
ATOM    447  CD  GLN    61       5.331  14.519  17.217  1.00 28.73           C  
ATOM    448  OE1 GLN    61       6.402  14.827  17.721  1.00 30.35           O  
ATOM    449  NE2 GLN    61       4.427  15.450  16.881  1.00 35.06           N  
ATOM    450  N   SER    62       4.967  13.636  20.333  1.00 27.75           N  
ATOM    451  CA  SER    62       4.283  14.824  20.910  1.00 30.90           C  
ATOM    452  C   SER    62       5.077  16.100  20.909  1.00 36.75           C  
ATOM    453  O   SER    62       4.690  17.110  21.441  1.00 52.66           O  
ATOM    454  CB  SER    62       3.864  14.633  22.379  1.00 35.95           C  
ATOM    455  OG  SER    62       4.952  14.105  23.125  1.00 46.21           O  
ATOM    456  N   PHE    63       6.252  16.067  20.384  1.00 29.60           N  
ATOM    457  CA  PHE    63       7.102  17.228  20.417  1.00 27.99           C  
ATOM    458  C   PHE    63       6.946  18.183  19.229  1.00 31.11           C  
ATOM    459  O   PHE    63       7.002  19.359  19.419  1.00 27.26           O  
ATOM    460  CB  PHE    63       8.530  16.630  20.559  1.00 25.49           C  
ATOM    461  CG  PHE    63       9.618  17.648  20.427  1.00 30.88           C  
ATOM    462  CD1 PHE    63       9.947  18.463  21.509  1.00 26.86           C  
ATOM    463  CD2 PHE    63      10.321  17.816  19.230  1.00 29.02           C  
ATOM    464  CE1 PHE    63      11.013  19.366  21.435  1.00 29.07           C  
ATOM    465  CE2 PHE    63      11.373  18.727  19.142  1.00 29.76           C  
ATOM    466  CZ  PHE    63      11.726  19.519  20.243  1.00 33.72           C  
ATOM    467  N   LEU    64       6.865  17.724  17.971  1.00 25.68           N  
ATOM    468  CA  LEU    64       6.831  18.662  16.842  1.00 24.82           C  
ATOM    469  C   LEU    64       5.450  19.287  16.739  1.00 26.70           C  
ATOM    470  O   LEU    64       4.460  18.591  16.986  1.00 31.40           O  
ATOM    471  CB  LEU    64       7.034  17.871  15.491  1.00 22.47           C  
ATOM    472  CG  LEU    64       8.369  17.086  15.396  1.00 29.46           C  
ATOM    473  CD1 LEU    64       8.417  16.185  14.142  1.00 30.53           C  
ATOM    474  CD2 LEU    64       9.647  17.977  15.456  1.00 24.48           C  
ATOM    475  N   ASP    65       5.405  20.538  16.305  1.00 28.62           N  
ATOM    476  CA  ASP    65       4.152  21.243  16.006  1.00 34.60           C  
ATOM    477  C   ASP    65       3.666  20.894  14.548  1.00 41.36           C  
ATOM    478  O   ASP    65       4.444  20.342  13.747  1.00 26.86           O  
ATOM    479  CB  ASP    65       4.279  22.755  16.344  1.00 31.77           C  
ATOM    480  CG  ASP    65       5.013  23.596  15.359  1.00 47.04           C  
ATOM    481  OD1 ASP    65       5.134  23.317  14.193  1.00 48.63           O  
ATOM    482  OD2 ASP    65       5.539  24.667  15.877  1.00 71.08           O  
ATOM    483  N   ASP    66       2.394  21.176  14.206  1.00 31.65           N  
ATOM    484  CA  ASP    66       1.862  20.859  12.888  1.00 33.85           C  
ATOM    485  C   ASP    66       2.718  21.427  11.772  1.00 38.51           C  
ATOM    486  O   ASP    66       2.894  20.807  10.719  1.00 38.50           O  
ATOM    487  CB  ASP    66       0.336  21.139  12.705  1.00 35.51           C  
ATOM    488  CG  ASP    66      -0.498  20.102  13.425  1.00 95.83           C  
ATOM    489  OD1 ASP    66      -0.319  18.893  13.287  1.00100.00           O  
ATOM    490  OD2 ASP    66      -1.318  20.615  14.323  1.00 84.76           O  
ATOM    491  N   ASP    67       3.271  22.611  12.040  1.00 33.26           N  
ATOM    492  CA  ASP    67       4.128  23.303  11.083  1.00 33.10           C  
ATOM    493  C   ASP    67       5.410  22.560  10.803  1.00 45.29           C  
ATOM    494  O   ASP    67       5.837  22.433   9.647  1.00 34.92           O  
ATOM    495  CB  ASP    67       4.521  24.678  11.546  1.00 31.04           C  
ATOM    496  CG  ASP    67       3.513  25.724  11.117  1.00 90.55           C  
ATOM    497  OD1 ASP    67       2.330  25.355  10.766  1.00 92.64           O  
ATOM    498  OD2 ASP    67       3.854  26.959  11.106  1.00100.00           O  
ATOM    499  N   GLN    68       6.015  22.094  11.853  1.00 38.59           N  
ATOM    500  CA  GLN    68       7.260  21.369  11.718  1.00 32.76           C  
ATOM    501  C   GLN    68       7.016  20.090  10.901  1.00 26.08           C  
ATOM    502  O   GLN    68       7.814  19.732  10.023  1.00 30.32           O  
ATOM    503  CB  GLN    68       7.820  21.057  13.091  1.00 22.57           C  
ATOM    504  CG  GLN    68       8.535  22.262  13.705  1.00 26.78           C  
ATOM    505  CD  GLN    68       8.904  22.067  15.173  1.00 35.57           C  
ATOM    506  OE1 GLN    68       8.118  21.511  15.936  1.00 29.91           O  
ATOM    507  NE2 GLN    68      10.069  22.499  15.619  1.00 29.90           N  
ATOM    508  N   ILE    69       5.903  19.435  11.205  1.00 25.11           N  
ATOM    509  CA  ILE    69       5.499  18.196  10.509  1.00 27.87           C  
ATOM    510  C   ILE    69       5.327  18.483   9.019  1.00 34.66           C  
ATOM    511  O   ILE    69       5.811  17.729   8.162  1.00 29.47           O  
ATOM    512  CB  ILE    69       4.171  17.674  11.063  1.00 32.70           C  
ATOM    513  CG1 ILE    69       4.302  17.089  12.470  1.00 40.33           C  
ATOM    514  CG2 ILE    69       3.565  16.559  10.207  1.00 29.13           C  
ATOM    515  CD1 ILE    69       5.045  15.752  12.495  1.00 32.83           C  
ATOM    516  N   ASP    70       4.637  19.573   8.776  1.00 31.86           N  
ATOM    517  CA  ASP    70       4.370  20.072   7.426  1.00 38.31           C  
ATOM    518  C   ASP    70       5.714  20.306   6.684  1.00 40.55           C  
ATOM    519  O   ASP    70       5.839  20.039   5.474  1.00 48.39           O  
ATOM    520  CB  ASP    70       3.604  21.400   7.532  1.00 52.17           C  
ATOM    521  CG  ASP    70       2.078  21.257   7.683  1.00 55.19           C  
ATOM    522  OD1 ASP    70       1.545  20.107   7.915  1.00 80.92           O  
ATOM    523  OD2 ASP    70       1.323  22.303   7.572  1.00 63.35           O  
ATOM    524  N   GLU    71       6.703  20.810   7.446  1.00 34.13           N  
ATOM    525  CA  GLU    71       8.074  21.120   6.933  1.00 34.15           C  
ATOM    526  C   GLU    71       8.794  19.823   6.526  1.00 30.41           C  
ATOM    527  O   GLU    71       9.763  19.846   5.748  1.00 35.23           O  
ATOM    528  CB  GLU    71       8.924  21.851   8.000  1.00 41.29           C  
ATOM    529  CG  GLU    71       8.882  23.387   7.868  1.00 64.85           C  
ATOM    530  CD  GLU    71      10.268  24.068   7.864  1.00100.00           C  
ATOM    531  OE1 GLU    71      11.290  23.479   8.387  1.00 55.31           O  
ATOM    532  OE2 GLU    71      10.413  25.243   7.337  1.00100.00           O  
ATOM    533  N   GLY    72       8.295  18.726   7.081  1.00 27.79           N  
ATOM    534  CA  GLY    72       8.784  17.369   6.766  1.00 32.80           C  
ATOM    535  C   GLY    72       9.646  16.761   7.895  1.00 32.09           C  
ATOM    536  O   GLY    72      10.348  15.757   7.699  1.00 25.25           O  
ATOM    537  N   TRP    73       9.595  17.356   9.076  1.00 22.23           N  
ATOM    538  CA  TRP    73      10.383  16.849  10.220  1.00 21.49           C  
ATOM    539  C   TRP    73       9.765  15.543  10.734  1.00 26.19           C  
ATOM    540  O   TRP    73       8.548  15.414  10.743  1.00 26.06           O  
ATOM    541  CB  TRP    73      10.454  17.886  11.341  1.00 23.52           C  
ATOM    542  CG  TRP    73      11.396  19.048  11.007  1.00 26.22           C  
ATOM    543  CD1 TRP    73      11.039  20.269  10.605  1.00 28.20           C  
ATOM    544  CD2 TRP    73      12.823  19.008  11.067  1.00 24.95           C  
ATOM    545  NE1 TRP    73      12.238  21.017  10.401  1.00 28.21           N  
ATOM    546  CE2 TRP    73      13.272  20.262  10.674  1.00 34.89           C  
ATOM    547  CE3 TRP    73      13.768  18.030  11.414  1.00 24.84           C  
ATOM    548  CZ2 TRP    73      14.626  20.610  10.598  1.00 32.01           C  
ATOM    549  CZ3 TRP    73      15.133  18.390  11.338  1.00 28.18           C  
ATOM    550  CH2 TRP    73      15.540  19.620  10.948  1.00 32.61           C  
ATOM    551  N   VAL    74      10.593  14.559  11.200  1.00 23.35           N  
ATOM    552  CA  VAL    74      10.113  13.267  11.705  1.00 26.91           C  
ATOM    553  C   VAL    74      10.908  12.880  12.956  1.00 21.84           C  
ATOM    554  O   VAL    74      12.136  13.080  12.973  1.00 22.56           O  
ATOM    555  CB  VAL    74      10.512  12.092  10.734  1.00 34.43           C  
ATOM    556  CG1 VAL    74       9.845  10.767  11.131  1.00 31.94           C  
ATOM    557  CG2 VAL    74      10.272  12.404   9.276  1.00 34.41           C  
ATOM    558  N   LEU    75      10.212  12.238  13.882  1.00 23.50           N  
ATOM    559  CA  LEU    75      10.892  11.635  15.066  1.00 25.89           C  
ATOM    560  C   LEU    75      10.923  10.134  14.847  1.00 21.88           C  
ATOM    561  O   LEU    75       9.878   9.418  14.894  1.00 24.28           O  
ATOM    562  CB  LEU    75      10.252  12.047  16.425  1.00 24.52           C  
ATOM    563  CG  LEU    75      10.262  13.564  16.716  1.00 29.19           C  
ATOM    564  CD1 LEU    75       9.589  13.895  18.095  1.00 27.15           C  
ATOM    565  CD2 LEU    75      11.679  14.128  16.642  1.00 24.99           C  
ATOM    566  N   THR    76      12.124   9.633  14.510  1.00 20.95           N  
ATOM    567  CA  THR    76      12.251   8.258  14.122  1.00 22.14           C  
ATOM    568  C   THR    76      11.899   7.212  15.221  1.00 25.69           C  
ATOM    569  O   THR    76      11.533   6.102  14.878  1.00 20.55           O  
ATOM    570  CB  THR    76      13.595   7.943  13.417  1.00 29.14           C  
ATOM    571  OG1 THR    76      14.619   8.070  14.358  1.00 22.12           O  
ATOM    572  CG2 THR    76      13.851   8.815  12.151  1.00 21.65           C  
ATOM    573  N   CYS    77      11.936   7.604  16.523  1.00 19.42           N  
ATOM    574  CA  CYS    77      11.573   6.588  17.500  1.00 23.31           C  
ATOM    575  C   CYS    77      10.080   6.382  17.585  1.00 23.91           C  
ATOM    576  O   CYS    77       9.604   5.521  18.330  1.00 27.19           O  
ATOM    577  CB  CYS    77      12.096   7.056  18.896  1.00 26.08           C  
ATOM    578  SG  CYS    77      11.280   8.530  19.603  1.00 24.96           S  
ATOM    579  N   ALA    78       9.316   7.248  16.935  1.00 20.23           N  
ATOM    580  CA  ALA    78       7.844   7.176  17.084  1.00 26.31           C  
ATOM    581  C   ALA    78       7.033   7.191  15.789  1.00 36.64           C  
ATOM    582  O   ALA    78       5.853   7.565  15.774  1.00 30.28           O  
ATOM    583  CB  ALA    78       7.355   8.353  17.931  1.00 24.52           C  
ATOM    584  N   ALA    79       7.710   6.814  14.700  1.00 29.72           N  
ATOM    585  CA  ALA    79       7.111   6.869  13.368  1.00 32.19           C  
ATOM    586  C   ALA    79       6.958   5.506  12.733  1.00 25.32           C  
ATOM    587  O   ALA    79       7.919   4.711  12.753  1.00 24.70           O  
ATOM    588  CB  ALA    79       7.896   7.902  12.468  1.00 25.97           C  
ATOM    589  N   TYR    80       5.749   5.231  12.211  1.00 25.90           N  
ATOM    590  CA  TYR    80       5.484   4.014  11.425  1.00 24.76           C  
ATOM    591  C   TYR    80       5.417   4.400   9.929  1.00 24.61           C  
ATOM    592  O   TYR    80       4.854   5.446   9.553  1.00 25.82           O  
ATOM    593  CB  TYR    80       4.219   3.175  11.706  1.00 26.45           C  
ATOM    594  CG  TYR    80       4.106   2.676  13.134  1.00 31.84           C  
ATOM    595  CD1 TYR    80       4.830   1.580  13.624  1.00 34.25           C  
ATOM    596  CD2 TYR    80       3.242   3.365  13.990  1.00 34.72           C  
ATOM    597  CE1 TYR    80       4.714   1.193  14.964  1.00 30.56           C  
ATOM    598  CE2 TYR    80       3.065   2.963  15.314  1.00 30.24           C  
ATOM    599  CZ  TYR    80       3.790   1.866  15.770  1.00 35.29           C  
ATOM    600  OH  TYR    80       3.624   1.546  17.078  1.00 51.62           O  
ATOM    601  N   PRO    81       6.018   3.558   9.080  1.00 27.26           N  
ATOM    602  CA  PRO    81       5.949   3.836   7.625  1.00 29.66           C  
ATOM    603  C   PRO    81       4.575   3.430   7.093  1.00 31.14           C  
ATOM    604  O   PRO    81       4.053   2.403   7.575  1.00 29.26           O  
ATOM    605  CB  PRO    81       6.936   2.848   6.980  1.00 28.79           C  
ATOM    606  CG  PRO    81       7.194   1.736   8.003  1.00 31.75           C  
ATOM    607  CD  PRO    81       6.736   2.280   9.352  1.00 26.94           C  
ATOM    608  N   VAL    82       3.960   4.235   6.214  1.00 27.18           N  
ATOM    609  CA  VAL    82       2.685   3.782   5.638  1.00 35.74           C  
ATOM    610  C   VAL    82       2.831   3.398   4.139  1.00 42.39           C  
ATOM    611  O   VAL    82       1.907   3.001   3.426  1.00 34.16           O  
ATOM    612  CB  VAL    82       1.424   4.610   5.984  1.00 36.83           C  
ATOM    613  CG1 VAL    82       1.091   4.669   7.474  1.00 37.46           C  
ATOM    614  CG2 VAL    82       1.473   6.001   5.423  1.00 34.29           C  
ATOM    615  N   SER    83       4.039   3.560   3.645  1.00 36.29           N  
ATOM    616  CA  SER    83       4.438   3.307   2.273  1.00 34.79           C  
ATOM    617  C   SER    83       5.941   3.232   2.282  1.00 35.38           C  
ATOM    618  O   SER    83       6.586   3.383   3.330  1.00 27.25           O  
ATOM    619  CB  SER    83       4.139   4.497   1.347  1.00 30.61           C  
ATOM    620  OG  SER    83       5.019   5.647   1.485  1.00 28.06           O  
ATOM    621  N   ASP    84       6.494   3.021   1.094  1.00 26.06           N  
ATOM    622  CA  ASP    84       7.922   3.058   1.040  1.00 30.29           C  
ATOM    623  C   ASP    84       8.379   4.468   1.376  1.00 30.65           C  
ATOM    624  O   ASP    84       7.718   5.431   0.999  1.00 31.40           O  
ATOM    625  CB  ASP    84       8.418   2.707  -0.338  1.00 29.55           C  
ATOM    626  CG  ASP    84       8.195   1.254  -0.617  1.00 40.79           C  
ATOM    627  OD1 ASP    84       7.890   0.313   0.155  1.00 34.20           O  
ATOM    628  OD2 ASP    84       8.405   1.151  -1.879  1.00 47.36           O  
ATOM    629  N   VAL    85       9.526   4.644   2.031  1.00 22.99           N  
ATOM    630  CA  VAL    85       9.939   6.010   2.333  1.00 20.82           C  
ATOM    631  C   VAL    85      11.478   6.190   2.308  1.00 24.03           C  
ATOM    632  O   VAL    85      12.262   5.206   2.513  1.00 27.17           O  
ATOM    633  CB  VAL    85       9.478   6.435   3.755  1.00 28.89           C  
ATOM    634  CG1 VAL    85       7.965   6.527   3.938  1.00 26.65           C  
ATOM    635  CG2 VAL    85      10.152   5.504   4.814  1.00 29.90           C  
ATOM    636  N   THR    86      11.848   7.460   1.993  1.00 20.22           N  
ATOM    637  CA  THR    86      13.198   7.883   2.071  1.00 21.23           C  
ATOM    638  C   THR    86      13.330   8.952   3.174  1.00 25.70           C  
ATOM    639  O   THR    86      12.605   9.949   3.191  1.00 22.59           O  
ATOM    640  CB  THR    86      13.718   8.431   0.769  1.00 23.30           C  
ATOM    641  OG1 THR    86      13.519   7.475  -0.260  1.00 26.36           O  
ATOM    642  CG2 THR    86      15.210   8.768   0.824  1.00 22.87           C  
ATOM    643  N   ILE    87      14.262   8.733   4.102  1.00 22.97           N  
ATOM    644  CA  ILE    87      14.463   9.665   5.240  1.00 23.87           C  
ATOM    645  C   ILE    87      15.949  10.014   5.452  1.00 19.36           C  
ATOM    646  O   ILE    87      16.814   9.140   5.475  1.00 24.47           O  
ATOM    647  CB  ILE    87      13.972   9.014   6.543  1.00 21.55           C  
ATOM    648  CG1 ILE    87      12.454   8.826   6.572  1.00 27.50           C  
ATOM    649  CG2 ILE    87      14.331   9.833   7.785  1.00 20.65           C  
ATOM    650  CD1 ILE    87      11.969   7.924   7.710  1.00 31.38           C  
ATOM    651  N   GLU    88      16.242  11.311   5.598  1.00 21.01           N  
ATOM    652  CA  GLU    88      17.622  11.757   5.934  1.00 22.22           C  
ATOM    653  C   GLU    88      17.735  11.750   7.465  1.00 27.78           C  
ATOM    654  O   GLU    88      16.941  12.400   8.152  1.00 24.12           O  
ATOM    655  CB  GLU    88      17.905  13.188   5.441  1.00 28.56           C  
ATOM    656  CG  GLU    88      17.653  13.397   3.950  1.00 41.70           C  
ATOM    657  CD  GLU    88      18.260  14.697   3.405  1.00 48.78           C  
ATOM    658  OE1 GLU    88      18.764  15.569   4.210  1.00 55.59           O  
ATOM    659  OE2 GLU    88      18.265  14.913   2.133  1.00 95.14           O  
ATOM    660  N   THR    89      18.708  11.014   7.991  1.00 21.38           N  
ATOM    661  CA  THR    89      18.881  10.871   9.468  1.00 25.41           C  
ATOM    662  C   THR    89      19.936  11.870  10.028  1.00 30.23           C  
ATOM    663  O   THR    89      20.541  12.649   9.288  1.00 22.22           O  
ATOM    664  CB  THR    89      19.313   9.435   9.803  1.00 24.95           C  
ATOM    665  OG1 THR    89      20.566   9.146   9.196  1.00 26.36           O  
ATOM    666  CG2 THR    89      18.316   8.369   9.323  1.00 23.11           C  
ATOM    667  N   HIS    90      20.129  11.829  11.361  1.00 29.25           N  
ATOM    668  CA  HIS    90      21.114  12.699  12.096  1.00 30.89           C  
ATOM    669  C   HIS    90      20.896  14.194  11.746  1.00 19.65           C  
ATOM    670  O   HIS    90      21.807  14.876  11.254  1.00 24.29           O  
ATOM    671  CB  HIS    90      22.552  12.359  11.680  1.00 23.67           C  
ATOM    672  CG  HIS    90      22.966  10.925  12.015  1.00 28.74           C  
ATOM    673  ND1 HIS    90      22.367   9.824  11.412  1.00 25.05           N  
ATOM    674  CD2 HIS    90      23.901  10.429  12.868  1.00 25.95           C  
ATOM    675  CE1 HIS    90      22.932   8.732  11.896  1.00 26.62           C  
ATOM    676  NE2 HIS    90      23.848   9.075  12.766  1.00 27.96           N  
ATOM    677  N   LYS    91      19.692  14.702  12.017  1.00 21.85           N  
ATOM    678  CA  LYS    91      19.328  16.104  11.671  1.00 24.48           C  
ATOM    679  C   LYS    91      18.969  16.961  12.899  1.00 22.53           C  
ATOM    680  O   LYS    91      18.507  18.105  12.767  1.00 24.20           O  
ATOM    681  CB  LYS    91      18.092  16.125  10.769  1.00 24.74           C  
ATOM    682  CG  LYS    91      18.394  15.720   9.329  1.00 33.72           C  
ATOM    683  CD  LYS    91      19.267  16.737   8.594  1.00 33.40           C  
ATOM    684  CE  LYS    91      19.650  16.284   7.184  1.00 56.58           C  
ATOM    685  NZ  LYS    91      20.051  17.398   6.313  1.00 70.22           N  
ATOM    686  N   LYS    92      19.193  16.402  14.066  1.00 29.41           N  
ATOM    687  CA  LYS    92      18.862  17.064  15.343  1.00 29.57           C  
ATOM    688  C   LYS    92      19.404  18.499  15.416  1.00 31.36           C  
ATOM    689  O   LYS    92      18.727  19.418  15.897  1.00 30.72           O  
ATOM    690  CB  LYS    92      19.478  16.299  16.516  1.00 28.26           C  
ATOM    691  CG  LYS    92      19.717  17.184  17.743  1.00 42.15           C  
ATOM    692  CD  LYS    92      19.736  16.395  19.054  1.00 58.10           C  
ATOM    693  CE  LYS    92      21.130  16.311  19.680  1.00 74.57           C  
ATOM    694  NZ  LYS    92      21.096  16.204  21.146  1.00 73.77           N  
ATOM    695  N   GLU    93      20.609  18.655  14.934  1.00 25.37           N  
ATOM    696  CA  GLU    93      21.334  19.926  15.008  1.00 33.41           C  
ATOM    697  C   GLU    93      20.816  20.964  13.971  1.00 34.04           C  
ATOM    698  O   GLU    93      21.217  22.136  13.972  1.00 37.10           O  
ATOM    699  CB  GLU    93      22.827  19.630  14.806  1.00 36.08           C  
ATOM    700  CG  GLU    93      23.635  19.664  16.121  1.00100.00           C  
ATOM    701  CD  GLU    93      23.858  18.339  16.907  1.00100.00           C  
ATOM    702  OE1 GLU    93      22.862  17.695  17.423  1.00100.00           O  
ATOM    703  OE2 GLU    93      25.060  17.880  17.081  1.00100.00           O  
ATOM    704  N   GLU    94      19.911  20.554  13.095  1.00 33.03           N  
ATOM    705  CA  GLU    94      19.390  21.462  12.044  1.00 33.87           C  
ATOM    706  C   GLU    94      17.957  21.905  12.326  1.00 30.08           C  
ATOM    707  O   GLU    94      17.403  22.771  11.634  1.00 29.33           O  
ATOM    708  CB  GLU    94      19.373  20.759  10.693  1.00 36.71           C  
ATOM    709  CG  GLU    94      20.771  20.470  10.160  1.00 52.81           C  
ATOM    710  CD  GLU    94      20.788  20.210   8.656  1.00100.00           C  
ATOM    711  OE1 GLU    94      19.722  20.405   7.957  1.00 57.89           O  
ATOM    712  OE2 GLU    94      21.868  19.796   8.088  1.00 85.85           O  
ATOM    713  N   LEU    95      17.393  21.306  13.332  1.00 26.01           N  
ATOM    714  CA  LEU    95      16.011  21.563  13.709  1.00 26.71           C  
ATOM    715  C   LEU    95      15.801  23.027  14.206  1.00 33.16           C  
ATOM    716  O   LEU    95      16.584  23.603  15.002  1.00 28.74           O  
ATOM    717  CB  LEU    95      15.601  20.616  14.840  1.00 24.05           C  
ATOM    718  CG  LEU    95      14.137  20.768  15.253  1.00 37.37           C  
ATOM    719  CD1 LEU    95      13.161  20.208  14.216  1.00 39.22           C  
ATOM    720  CD2 LEU    95      13.808  20.048  16.563  1.00 48.43           C  
ATOM    721  N   THR    96      14.690  23.657  13.803  1.00 24.29           N  
ATOM    722  CA  THR    96      14.357  24.971  14.259  1.00 20.50           C  
ATOM    723  C   THR    96      12.842  25.027  14.364  1.00 29.60           C  
ATOM    724  O   THR    96      12.150  24.097  13.856  1.00 27.87           O  
ATOM    725  CB  THR    96      14.675  26.113  13.293  1.00 29.55           C  
ATOM    726  OG1 THR    96      13.917  25.851  12.128  1.00 30.05           O  
ATOM    727  CG2 THR    96      16.120  26.211  13.007  1.00 23.85           C  
ATOM    728  N   ALA    97      12.313  26.090  15.052  1.00 27.16           N  
ATOM    729  CA  ALA    97      10.851  26.183  15.191  1.00 37.74           C  
ATOM    730  C   ALA    97      10.166  26.814  14.004  1.00 64.29           C  
ATOM    731  O   ALA    97       9.815  27.983  14.121  1.00100.00           O  
ATOM    732  CB  ALA    97      10.299  26.681  16.508  1.00 35.84           C  
TER     733      ALA    97                                                      
HETATM  734 FE1  FES  1602      13.398  11.548  21.999  1.00 26.97          FE  
HETATM  735 FE2  FES  1602      12.925  10.090  19.701  1.00 26.54          FE  
HETATM  736  S1  FES  1602      14.657   9.885  21.071  1.00 26.27           S  
HETATM  737  S2  FES  1602      11.681  11.837  20.546  1.00 27.47           S  
HETATM  738  O   HOH     1      20.314   3.189  17.662  1.00 28.40           O  
HETATM  739  O   HOH     2      19.136  13.499  14.797  1.00 27.63           O  
HETATM  740  O   HOH     3      15.839  17.655  22.569  1.00 31.32           O  
HETATM  741  O   HOH     4      13.340  -3.911  18.366  1.00 31.87           O  
HETATM  742  O   HOH     5      17.589   8.577  14.886  1.00 25.57           O  
HETATM  743  O   HOH     6       3.158   6.964  15.663  1.00 32.70           O  
HETATM  744  O   HOH     7      12.607   3.196   0.028  1.00 35.81           O  
HETATM  745  O   HOH     8      17.941  10.294  12.971  1.00 28.21           O  
HETATM  746  O   HOH     9       1.926   1.370   9.724  1.00 37.77           O  
HETATM  747  O   HOH    10      11.412   3.410  19.732  1.00 37.42           O  
HETATM  748  O   HOH    11       8.807  17.793  25.373  1.00 41.85           O  
HETATM  749  O   HOH    12       3.590  11.528   5.863  1.00 39.49           O  
HETATM  750  O   HOH    13      25.052   1.593  11.348  1.00 43.97           O  
HETATM  751  O   HOH    14      -6.196   7.375  14.972  1.00 75.86           O  
HETATM  752  O   HOH    15       8.534  -0.956  17.306  1.00 37.45           O  
HETATM  753  O   HOH    16       6.639  15.107   8.525  1.00 36.12           O  
HETATM  754  O   HOH    17      22.246   2.005  21.737  1.00 36.05           O  
HETATM  755  O   HOH    18      14.535  -4.507  10.197  1.00 55.68           O  
HETATM  756  O   HOH    19       4.876   2.526  -1.355  1.00 41.58           O  
HETATM  757  O   HOH    20      11.330   5.913  -0.990  1.00 42.42           O  
HETATM  758  O   HOH    21       8.224   5.865  20.826  1.00 41.41           O  
HETATM  759  O   HOH    22      22.831   5.923  19.420  1.00 45.06           O  
HETATM  760  O   HOH    23      14.917  23.836  10.267  1.00 40.43           O  
HETATM  761  O   HOH    24      11.139  24.357  10.914  1.00 63.90           O  
HETATM  762  O   HOH    25      11.625  17.756   3.797  1.00 64.36           O  
HETATM  763  O   HOH    26       0.872  11.720  21.228  1.00 66.38           O  
HETATM  764  O   HOH    27      -0.211   4.813  15.867  1.00 63.96           O  
HETATM  765  O   HOH    28      20.658  -7.095   8.049  1.00 67.10           O  
HETATM  766  O   HOH    29      24.043   4.181  -2.687  1.00 53.06           O  
HETATM  767  O   HOH    30      21.936   6.378  21.945  1.00 55.43           O  
HETATM  768  O   HOH    31      19.025  24.652  14.863  1.00 51.35           O  
HETATM  769  O   HOH    32      11.308   8.680  28.143  1.00 44.39           O  
HETATM  770  O   HOH    33      -0.428   0.927   5.386  1.00 85.08           O  
HETATM  771  O   HOH    34      21.798  10.879  23.320  1.00 52.42           O  
HETATM  772  O   HOH    35       3.239   6.955  -0.065  1.00 55.66           O  
HETATM  773  O   HOH    36      22.779   2.365  18.908  1.00 43.93           O  
HETATM  774  O   HOH    37      24.188   5.146  11.189  1.00 45.31           O  
HETATM  775  O   HOH    38      -1.683  -0.913   1.878  1.00 69.36           O  
HETATM  776  O   HOH    39       8.696   6.563  -1.677  1.00 58.88           O  
HETATM  777  O   HOH    40       7.367  26.197  14.480  1.00 49.47           O  
HETATM  778  O   HOH    41       6.591  -1.657  -1.410  1.00 85.37           O  
HETATM  779  O   HOH    42       7.606  18.977   3.435  1.00 63.19           O  
HETATM  780  O   HOH    43      -3.822  10.414  11.859  1.00 57.70           O  
HETATM  781  O   HOH    44      21.749  12.594   6.625  1.00 51.80           O  
HETATM  782  O   HOH    45      23.131   4.812  23.785  1.00 50.20           O  
HETATM  783  O   HOH    46      16.610   3.001  -2.612  1.00 56.90           O  
HETATM  784  O   HOH    47      22.528  16.502  13.897  1.00 55.79           O  
HETATM  785  O   HOH    48      26.500   7.848  10.348  1.00 68.43           O  
HETATM  786  O   HOH    49       3.851  12.983   3.178  1.00 49.71           O  
HETATM  787  O   HOH    50      19.786  18.726  20.646  1.00 45.90           O  
HETATM  788  O   HOH    51      18.145  27.680   9.755  1.00 64.26           O  
HETATM  789  O   HOH    52      17.574  -8.112   7.017  1.00 76.51           O  
HETATM  790  O   HOH    53      22.282  13.839  15.539  1.00 60.51           O  
HETATM  791  O   HOH    54      21.110  -7.809  14.066  1.00 66.51           O  
HETATM  792  O   HOH    55      25.732  22.369  16.313  1.00 59.47           O  
HETATM  793  O   HOH    56      13.415   9.318  -2.947  1.00 59.85           O  
HETATM  794  O   HOH    57      13.899  22.771   7.168  1.00 63.98           O  
HETATM  795  O   HOH    58      27.481   5.665  17.885  1.00 79.40           O  
HETATM  796  O   HOH    59       8.580  -4.372  17.408  1.00 60.41           O  
HETATM  797  O   HOH    60      24.876   4.074   8.926  1.00 71.07           O  
HETATM  798  O   HOH    61      10.525  -6.340  15.708  1.00 53.48           O  
HETATM  799  O   HOH    62      -1.284   5.529  19.201  1.00 68.40           O  
HETATM  800  O   HOH    63      15.014  11.978  -2.461  1.00 64.00           O  
HETATM  801  O   HOH    64      14.106  -9.236   2.519  1.00 67.28           O  
HETATM  802  O   HOH    65      14.062  29.978  13.852  1.00 84.39           O  
HETATM  803  O   HOH    66       6.500   2.082  -3.927  1.00 73.15           O  
HETATM  804  O   HOH    67      -3.999  12.915  12.023  1.00 70.07           O  
HETATM  805  O   HOH    68      22.522  10.655  20.491  1.00 62.92           O  
HETATM  806  O   HOH    69       5.802  -4.428  16.828  1.00 64.57           O  
HETATM  807  O   HOH    70      -0.285  -5.312   2.050  1.00 83.51           O  
HETATM  808  O   HOH    71      -0.266   3.144  11.216  1.00 68.25           O  
HETATM  809  O   HOH    72      25.407  13.378  14.852  1.00 80.99           O  
HETATM  810  O   HOH    73      15.568   7.564  -2.586  1.00 71.16           O  
HETATM  811  O   HOH    74       4.787  10.976  22.962  1.00 65.51           O  
HETATM  812  O   HOH    75      25.854  23.790  19.080  1.00 69.96           O  
HETATM  813  O   HOH    76       6.047  15.849  24.673  1.00 76.93           O  
HETATM  814  O   HOH    77       3.270  10.385  25.458  1.00 68.03           O  
HETATM  815  O   HOH    78      17.147 -11.645  -0.378  1.00 76.39           O  
HETATM  816  O   HOH    79       3.889  11.272  28.440  1.00 57.34           O  
HETATM  817  O   HOH    80       0.829  10.575   6.206  1.00 61.71           O  
HETATM  818  O   HOH    81      -2.192  14.658  14.063  1.00 83.95           O  
CONECT  297  296  734                                                           
CONECT  329  328  734                                                           
CONECT  347  346  735                                                           
CONECT  578  577  735                                                           
CONECT  734  297  329  736  737                                                 
CONECT  735  347  578  736  737                                                 
CONECT  736  734  735                                                           
CONECT  737  734  735                                                           
MASTER      165    0    1    4    5    0    0    6  817    1    8    8          
END                                                                             
