HEADER    ELECTRON TRANSPORT                      08-AUG-95   1CTJ              
TITLE     CRYSTAL STRUCTURE OF CYTOCHROME C6                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOCHROME C6;                                             
COMPND   3 CHAIN: NULL                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MONORAPHIDIUM BRAUNII                           
KEYWDS    CYTOCHROME, ELECTRON TRANSPORT, HEME                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.M.SHELDRICK                                                         
REVDAT   1   10-JUN-96 1CTJ    0                                                
JRNL        AUTH   C.FRAZAO,C.M.SOARES,M.A.CARRONDO,E.POHL,Z.DAUTER,            
JRNL        AUTH 2 K.S.WILSON,M.HERVAS,J.A.NAVARRO,M.A.DE LA ROSA,              
JRNL        AUTH 3 G.M.SHELDRICK                                                
JRNL        TITL   AB INITIO DETERMINATION OF THE CRYSTAL STRUCTURE O           
JRNL        TITL 2 CYTOCHROME C6; COMPARISON WITH PLASTOCYANIN                  
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                  0353          
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 1.1  ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3    PROGRAM     : SHELXL-96                                           
REMARK   3    AUTHORS     : G.M.SHELDRICK                                       
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 25.0                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.0                            
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.9                           
REMARK   3   CROSS-VALIDATION METHOD           : FREE R                         
REMARK   3   FREE R VALUE TEST SET SELECTION   : EVERY 10TH REFLECTION          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (NO CUTOFF).                         
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : 0.1397                 
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : 0.1377                 
REMARK   3   FREE R VALUE                  (NO CUTOFF) : 0.1883                 
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10.0                   
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : 3265                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : 32653                  
REMARK   3                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).                     
REMARK   3   R VALUE   (WORKING + TEST SET, F>4SIG(F)) : 0.1198                 
REMARK   3   R VALUE          (WORKING SET, F>4SIG(F)) : 0.1179                 
REMARK   3   FREE R VALUE                  (F>4SIG(F)) : 0.1669                 
REMARK   3   FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 9.9                    
REMARK   3   FREE R VALUE TEST SET COUNT   (F>4SIG(F)) : 2428                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (F>4SIG(F)) : 24566                  
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS      : 724                                           
REMARK   3   NUCLEIC ACID ATOMS : 0                                             
REMARK   3   HETEROGEN ATOMS    : 43                                            
REMARK   3   SOLVENT ATOMS      : 151                                           
REMARK   3                                                                      
REMARK   3  MODEL REFINEMENT.                                                   
REMARK   3   OCCUPANCY SUM OF NON-HYDROGEN ATOMS      : 822.83                  
REMARK   3   OCCUPANCY SUM OF HYDROGEN ATOMS          : 642.00                  
REMARK   3   NUMBER OF DISCRETELY DISORDERED RESIDUES : 12                      
REMARK   3   NUMBER OF LEAST-SQUARES PARAMETERS       : 8268                    
REMARK   3   NUMBER OF RESTRAINTS                     : 10326                   
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.                        
REMARK   3   BOND LENGTHS                         (A) : 0.013                   
REMARK   3   ANGLE DISTANCES                      (A) : 0.033                   
REMARK   3   SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.014                   
REMARK   3   DISTANCES FROM RESTRAINT PLANES      (A) : 0.016                   
REMARK   3   ZERO CHIRAL VOLUMES               (A**3) : 0.148                   
REMARK   3   NON-ZERO CHIRAL VOLUMES           (A**3) : 0.130                   
REMARK   3   ANTI-BUMPING DISTANCE RESTRAINTS     (A) : 0.010                   
REMARK   3   RIGID-BOND ADP COMPONENTS         (A**2) : 0.005                   
REMARK   3   SIMILAR ADP COMPONENTS            (A**2) : 0.043                   
REMARK   3   APPROXIMATELY ISOTROPIC ADPS      (A**2) : 0.108                   
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED: MOEWS & KRETSINGER, J.MOL.BIOL. V. 91                 
REMARK   3   (1973) 201-228.                                                    
REMARK   3                                                                      
REMARK   3  STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER                      
REMARK   3   SPECIAL CASE: NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: ANISOTROPIC REFINEMENT                    
REMARK   3  REDUCED FREE R (NO CUTOFF) BY 0.077.  CHEMICALLY                    
REMARK   3  EQUIVALENT BONDS AND ANGLE DISTANCES IN HEME RESTRAINED             
REMARK   3  TO BE EQUAL WITHOUT TARGET VALUES.  NO GEOMETRIC OR ADP             
REMARK   3  RESTRAINTS APPLIED TO IRON ATOM.                                    
REMARK   4                                                                      
REMARK   4 1CTJ COMPLIES WITH FORMAT V. 2.0, 16-FEB-1996                        
REMARK   6                                                                      
REMARK   6 THE HEME CAB IS COVALENTLY BONDED TO SG CYS 15 AND                   
REMARK   6 THE HEME CAC IS COVALENTLY BONDED TO SG CYS 18.                      
REMARK   6                                                                      
REMARK   6 THE IRON ATOM IS COORDINATED BY NE2 HIS 19 AND SD MET 61.            
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : MAY-1993, JUL-1994                 
REMARK 200  TEMPERATURE           (KELVIN) : 293                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 3                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : EMBL/DESY                          
REMARK 200  BEAMLINE                       : X11 AND BW7B                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.80, 0.87                         
REMARK 200  MONOCHROMATOR                  : GE SINGLE CRYSTAL                  
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32653                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.10                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.0                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.9                               
REMARK 200  DATA REDUNDANCY                : 8.4                                
REMARK 200  R MERGE                    (I) : 0.058                              
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.1                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.20                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.5                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.6                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.520                              
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.4                                
REMARK 200                                                                      
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: AB INITIO                    
REMARK 200 SOFTWARE USED: SHELX                                                 
REMARK 200 STARTING MODEL FOR MOLECULAR REPLACEMENT: NONE                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: R 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   Z,X,Y                                                   
REMARK 290       3555   Y,Z,X                                                   
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                                                                      
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  0.169343  0.142722  0.975177        0.00000            
REMARK 290   SMTRY2   2  0.985536 -0.024531 -0.167546        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.989473 -0.144812        0.00000            
REMARK 290   SMTRY1   3  0.169334  0.985580  0.000010        0.00000            
REMARK 290   SMTRY2   3  0.142717 -0.024523  0.989445        0.00000            
REMARK 290   SMTRY3   3  0.975162 -0.167560 -0.144812        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375      HOH   301 LIES ON A SPECIAL POSITION.                           
REMARK 850                                                                      
REMARK 850 CORRECTION BEFORE RELEASE                                            
REMARK 850 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE                         
REMARK 850 DATE REVISED: 05-MAR-1996  TRACKING NUMBER: T6869                    
DBREF  1CTJ      1    89  SWS    Q09099   CYC6_MONBR       1     89             
SEQRES   1     89  GLU ALA ASP LEU ALA LEU GLY LYS ALA VAL PHE ASP GLY          
SEQRES   2     89  ASN CYS ALA ALA CYS HIS ALA GLY GLY GLY ASN ASN VAL          
SEQRES   3     89  ILE PRO ASP HIS THR LEU GLN LYS ALA ALA ILE GLU GLN          
SEQRES   4     89  PHE LEU ASP GLY GLY PHE ASN ILE GLU ALA ILE VAL TYR          
SEQRES   5     89  GLN ILE GLU ASN GLY LYS GLY ALA MET PRO ALA TRP ASP          
SEQRES   6     89  GLY ARG LEU ASP GLU ASP GLU ILE ALA GLY VAL ALA ALA          
SEQRES   7     89  TYR VAL TYR ASP GLN ALA ALA GLY ASN LYS TRP                  
HET    HEM     91      43     PROTOPORPHYRIN IX CONTAINS FE(II)                 
HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
HETSYN     HEM HEME                                                             
FORMUL   2  HEM    C34 H32 N4 O4 FE1                                            
FORMUL   3  HOH   *151(H2 O1)                                                   
HELIX    1   1 LEU      4  ASN     14  1                                  11    
HELIX    2   2 ALA     16  GLY     22  1                                   7    
HELIX    3   3 LYS     34  PHE     40  1                                   7    
HELIX    4   4 ILE     47  ASN     56  1                                  10    
HELIX    5   5 GLU     70  ALA     85  1                                  16    
LINK        FE   HEM    91                 NE2 HIS    19                        
LINK        FE   HEM    91                 SD  MET    61                        
LINK         CAB HEM    91                 SG  CYS    15                        
LINK         CAC HEM    91                 SG  CYS    18                        
CRYST1   40.430   40.430   40.430  80.25  80.25  80.25 R 3           3          
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      0.024734 -0.004250 -0.003673        0.00000                         
SCALE2      0.000000  0.025097 -0.003673        0.00000                         
SCALE3      0.000000  0.000000  0.025364        0.00000                         
ATOM      1  N  AGLU     1       4.127  26.179  -7.903  0.49 57.53           N  
ATOM      2  N  BGLU     1       3.535  25.488 -12.889  0.51 54.52           N  
ATOM      3  CA AGLU     1       5.490  26.607  -8.207  0.49 52.50           C  
ATOM      4  CA BGLU     1       2.754  26.395 -12.051  0.51 51.27           C  
ATOM      5  C  AGLU     1       5.550  27.734  -9.233  0.49 47.55           C  
ATOM      6  C  BGLU     1       3.471  27.729 -11.891  0.51 49.70           C  
ATOM      7  O  AGLU     1       4.982  28.809  -8.942  0.49 50.34           O  
ATOM      8  O  BGLU     1       2.870  28.781 -12.098  0.51 49.78           O  
ATOM      9  CB AGLU     1       6.372  25.388  -8.512  0.49 54.41           C  
ATOM     10  CB BGLU     1       2.416  25.770 -10.696  0.51 52.50           C  
ATOM     11  CG AGLU     1       7.853  25.736  -8.366  0.49 54.45           C  
ATOM     12  CG BGLU     1       1.268  26.491 -10.006  0.51 54.28           C  
ATOM     13  CD AGLU     1       8.764  24.531  -8.316  0.49 56.31           C  
ATOM     14  CD BGLU     1       1.720  27.296  -8.799  0.51 55.22           C  
ATOM     15  OE1AGLU     1       8.298  23.411  -8.022  0.49 60.72           O  
ATOM     16  OE1BGLU     1       2.727  28.028  -8.909  0.51 55.30           O  
ATOM     17  OE2AGLU     1       9.986  24.743  -8.482  0.49 59.28           O  
ATOM     18  OE2BGLU     1       1.068  27.166  -7.733  0.51 55.05           O  
ATOM     19  N  AALA     2       6.254  27.610 -10.341  0.49 39.82           N  
ATOM     20  N  BALA     2       4.759  27.656 -11.589  0.51 47.24           N  
ATOM     21  CA AALA     2       6.531  28.549 -11.391  0.49 40.63           C  
ATOM     22  CA BALA     2       5.670  28.786 -11.571  0.51 44.89           C  
ATOM     23  C  AALA     2       6.980  27.926 -12.710  0.49 38.03           C  
ATOM     24  C  BALA     2       5.766  29.304 -13.027  0.51 42.80           C  
ATOM     25  O  AALA     2       7.831  27.034 -12.721  0.49 32.72           O  
ATOM     26  O  BALA     2       5.165  30.351 -13.297  0.51 41.12           O  
ATOM     27  CB AALA     2       7.686  29.468 -10.955  0.49 40.12           C  
ATOM     28  CB BALA     2       7.039  28.354 -11.070  0.51 43.42           C  
ATOM     29  N   ASP     3       6.482  28.531 -13.792  1.00 36.71           N  
ATOM     30  CA  ASP     3       6.844  28.172 -15.120  1.00 32.51           C  
ATOM     31  C   ASP     3       8.056  28.945 -15.623  1.00 30.43           C  
ATOM     32  O   ASP     3       7.982  29.944 -16.316  1.00 26.86           O  
ATOM     33  CB  ASP     3       5.712  28.262 -16.130  1.00 31.89           C  
ATOM     34  CG  ASP     3       5.940  27.498 -17.420  1.00 34.79           C  
ATOM     35  OD1 ASP     3       7.066  27.105 -17.813  1.00 31.55           O  
ATOM     36  OD2 ASP     3       4.871  27.304 -18.059  1.00 41.40           O  
ATOM     37  N   LEU     4       9.232  28.418 -15.235  1.00 29.63           N  
ATOM     38  CA  LEU     4      10.475  29.110 -15.536  1.00 27.52           C  
ATOM     39  C   LEU     4      10.887  29.007 -16.996  1.00 25.31           C  
ATOM     40  O   LEU     4      11.545  29.902 -17.487  1.00 25.04           O  
ATOM     41  CB  LEU     4      11.613  28.571 -14.648  1.00 28.52           C  
ATOM     42  CG  LEU     4      11.456  28.737 -13.141  1.00 30.06           C  
ATOM     43  CD1 LEU     4      12.684  28.114 -12.481  1.00 34.36           C  
ATOM     44  CD2 LEU     4      11.245  30.212 -12.805  1.00 36.41           C  
ATOM     45  N   ALA     5      10.452  27.940 -17.673  1.00 25.52           N  
ATOM     46  CA  ALA     5      10.822  27.868 -19.105  1.00 24.02           C  
ATOM     47  C   ALA     5      10.081  28.943 -19.872  1.00 19.56           C  
ATOM     48  O   ALA     5      10.654  29.635 -20.711  1.00 20.74           O  
ATOM     49  CB  ALA     5      10.527  26.477 -19.667  1.00 29.14           C  
ATOM     50  N   LEU     6       8.812  29.076 -19.527  1.00 19.79           N  
ATOM     51  CA  LEU     6       8.007  30.156 -20.133  1.00 19.22           C  
ATOM     52  C   LEU     6       8.600  31.515 -19.791  1.00 17.06           C  
ATOM     53  O   LEU     6       8.741  32.377 -20.664  1.00 17.55           O  
ATOM     54  CB  LEU     6       6.525  30.073 -19.719  1.00 20.86           C  
ATOM     55  CG  LEU     6       5.587  31.190 -20.187  1.00 23.72           C  
ATOM     56  CD1 LEU     6       5.527  31.116 -21.700  1.00 25.58           C  
ATOM     57  CD2 LEU     6       4.185  31.110 -19.583  1.00 31.74           C  
ATOM     58  N   GLY     7       8.931  31.681 -18.498  1.00 18.07           N  
ATOM     59  CA  GLY     7       9.479  32.968 -18.135  1.00 16.99           C  
ATOM     60  C   GLY     7      10.761  33.312 -18.862  1.00 15.95           C  
ATOM     61  O   GLY     7      10.985  34.474 -19.189  1.00 16.58           O  
ATOM     62  N   LYS     8      11.650  32.326 -19.080  1.00 16.64           N  
ATOM     63  CA  LYS     8      12.885  32.617 -19.813  1.00 16.76           C  
ATOM     64  C   LYS     8      12.566  32.997 -21.259  1.00 15.57           C  
ATOM     65  O   LYS     8      13.218  33.892 -21.810  1.00 15.82           O  
ATOM     66  CB ALYS     8      13.723  31.323 -19.829  0.55 19.80           C  
ATOM     67  CB BLYS     8      13.887  31.468 -19.713  0.45 19.88           C  
ATOM     68  CG ALYS     8      14.938  31.471 -20.772  0.55 21.53           C  
ATOM     69  CG BLYS     8      15.287  31.806 -20.269  0.45 19.35           C  
ATOM     70  CD ALYS     8      15.673  30.146 -20.835  0.55 24.31           C  
ATOM     71  CD BLYS     8      16.261  30.680 -20.023  0.45 21.77           C  
ATOM     72  CE ALYS     8      17.118  30.365 -21.275  0.55 25.41           C  
ATOM     73  CE BLYS     8      17.688  30.890 -20.511  0.45 23.91           C  
ATOM     74  NZ ALYS     8      17.216  31.254 -22.466  0.55 28.30           N  
ATOM     75  NZ BLYS     8      18.400  29.574 -20.644  0.45 33.84           N  
ATOM     76  N   ALA     9      11.618  32.312 -21.895  1.00 16.25           N  
ATOM     77  CA  ALA     9      11.279  32.689 -23.275  1.00 16.04           C  
ATOM     78  C   ALA     9      10.775  34.122 -23.374  1.00 15.54           C  
ATOM     79  O   ALA     9      11.110  34.909 -24.256  1.00 15.41           O  
ATOM     80  CB  ALA     9      10.261  31.696 -23.840  1.00 18.69           C  
ATOM     81  N   VAL    10       9.900  34.494 -22.382  1.00 14.67           N  
ATOM     82  CA  VAL    10       9.374  35.863 -22.333  1.00 14.03           C  
ATOM     83  C   VAL    10      10.525  36.838 -22.076  1.00 12.58           C  
ATOM     84  O   VAL    10      10.605  37.893 -22.682  1.00 14.00           O  
ATOM     85  CB  VAL    10       8.263  35.953 -21.275  1.00 14.54           C  
ATOM     86  CG1 VAL    10       7.805  37.404 -21.067  1.00 16.97           C  
ATOM     87  CG2 VAL    10       7.059  35.108 -21.654  1.00 19.50           C  
ATOM     88  N   PHE    11      11.431  36.505 -21.177  1.00 12.93           N  
ATOM     89  CA  PHE    11      12.547  37.360 -20.851  1.00 12.11           C  
ATOM     90  C   PHE    11      13.384  37.618 -22.101  1.00 12.76           C  
ATOM     91  O   PHE    11      13.745  38.748 -22.429  1.00 13.26           O  
ATOM     92  CB  PHE    11      13.390  36.740 -19.721  1.00 13.00           C  
ATOM     93  CG  PHE    11      14.499  37.664 -19.247  1.00 12.81           C  
ATOM     94  CD1 PHE    11      15.764  37.669 -19.833  1.00 14.74           C  
ATOM     95  CD2 PHE    11      14.248  38.518 -18.196  1.00 13.63           C  
ATOM     96  CE1 PHE    11      16.738  38.539 -19.377  1.00 15.40           C  
ATOM     97  CE2 PHE    11      15.237  39.374 -17.734  1.00 14.71           C  
ATOM     98  CZ  PHE    11      16.476  39.352 -18.295  1.00 15.91           C  
ATOM     99  N   ASP    12      13.793  36.527 -22.787  1.00 13.88           N  
ATOM    100  CA  ASP    12      14.673  36.680 -23.952  1.00 15.28           C  
ATOM    101  C   ASP    12      13.994  37.450 -25.062  1.00 15.53           C  
ATOM    102  O   ASP    12      14.667  38.220 -25.752  1.00 19.71           O  
ATOM    103  CB  ASP    12      15.182  35.307 -24.355  1.00 19.23           C  
ATOM    104  CG  ASP    12      16.187  34.671 -23.394  1.00 20.36           C  
ATOM    105  OD1 ASP    12      16.755  35.349 -22.507  1.00 23.88           O  
ATOM    106  OD2 ASP    12      16.400  33.435 -23.537  1.00 29.91           O  
ATOM    107  N   GLY    13      12.679  37.294 -25.213  1.00 15.89           N  
ATOM    108  CA  GLY    13      11.980  37.998 -26.241  1.00 17.18           C  
ATOM    109  C   GLY    13      11.676  39.449 -26.007  1.00 15.97           C  
ATOM    110  O   GLY    13      11.441  40.200 -26.969  1.00 21.33           O  
ATOM    111  N   ASN    14      11.606  39.862 -24.752  1.00 13.90           N  
ATOM    112  CA  ASN    14      11.131  41.181 -24.429  1.00 14.03           C  
ATOM    113  C   ASN    14      12.007  41.979 -23.482  1.00 14.18           C  
ATOM    114  O   ASN    14      11.957  43.214 -23.540  1.00 20.59           O  
ATOM    115  CB  ASN    14       9.759  41.042 -23.735  1.00 15.06           C  
ATOM    116  CG  ASN    14       8.736  40.424 -24.648  1.00 16.53           C  
ATOM    117  OD1 ASN    14       8.158  41.015 -25.547  1.00 20.29           O  
ATOM    118  ND2 ASN    14       8.535  39.109 -24.471  1.00 16.92           N  
ATOM    119  N   CYS    15      12.749  41.389 -22.612  1.00 12.20           N  
ATOM    120  CA  CYS    15      13.466  42.024 -21.546  1.00 11.82           C  
ATOM    121  C   CYS    15      14.973  42.084 -21.765  1.00 12.19           C  
ATOM    122  O   CYS    15      15.606  42.977 -21.258  1.00 12.74           O  
ATOM    123  CB  CYS    15      13.204  41.333 -20.194  1.00 12.23           C  
ATOM    124  SG  CYS    15      11.507  40.860 -19.873  1.00 13.03           S  
ATOM    125  N   ALA    16      15.504  41.147 -22.538  1.00 13.33           N  
ATOM    126  CA  ALA    16      16.947  41.058 -22.779  1.00 13.94           C  
ATOM    127  C   ALA    16      17.482  42.245 -23.545  1.00 15.17           C  
ATOM    128  O   ALA    16      18.688  42.503 -23.517  1.00 16.69           O  
ATOM    129  CB  ALA    16      17.246  39.782 -23.543  1.00 17.22           C  
ATOM    130  N   ALA    17      16.618  43.036 -24.196  1.00 14.81           N  
ATOM    131  CA  ALA    17      17.036  44.269 -24.876  1.00 16.50           C  
ATOM    132  C   ALA    17      17.685  45.228 -23.897  1.00 14.58           C  
ATOM    133  O   ALA    17      18.468  46.083 -24.325  1.00 16.53           O  
ATOM    134  CB  ALA    17      15.804  44.929 -25.465  1.00 23.94           C  
ATOM    135  N   CYS    18      17.279  45.186 -22.618  1.00 12.61           N  
ATOM    136  CA  CYS    18      17.810  46.086 -21.627  1.00 11.93           C  
ATOM    137  C   CYS    18      18.467  45.400 -20.445  1.00 11.31           C  
ATOM    138  O   CYS    18      19.165  46.052 -19.684  1.00 13.34           O  
ATOM    139  CB  CYS    18      16.691  46.988 -21.097  1.00 12.28           C  
ATOM    140  SG  CYS    18      16.018  48.028 -22.425  1.00 14.00           S  
ATOM    141  N   HIS    19      18.241  44.119 -20.249  1.00 11.81           N  
ATOM    142  CA  HIS    19      18.626  43.402 -19.037  1.00 11.21           C  
ATOM    143  C   HIS    19      19.331  42.091 -19.280  1.00 11.46           C  
ATOM    144  O   HIS    19      19.430  41.268 -18.363  1.00 12.87           O  
ATOM    145  CB  HIS    19      17.385  43.116 -18.171  1.00 11.83           C  
ATOM    146  CG  HIS    19      16.646  44.283 -17.629  1.00 11.48           C  
ATOM    147  ND1 HIS    19      17.192  45.153 -16.726  1.00 12.11           N  
ATOM    148  CD2 HIS    19      15.354  44.655 -17.762  1.00 11.28           C  
ATOM    149  CE1 HIS    19      16.223  46.009 -16.352  1.00 12.49           C  
ATOM    150  NE2 HIS    19      15.074  45.737 -16.966  1.00 11.37           N  
ATOM    151  N   ALA    20      19.896  41.838 -20.483  1.00 12.23           N  
ATOM    152  CA  ALA    20      20.590  40.564 -20.699  1.00 13.89           C  
ATOM    153  C   ALA    20      21.715  40.399 -19.681  1.00 13.70           C  
ATOM    154  O   ALA    20      22.408  41.371 -19.355  1.00 15.35           O  
ATOM    155  CB  ALA    20      21.131  40.466 -22.123  1.00 16.23           C  
ATOM    156  N   GLY    21      21.859  39.177 -19.146  1.00 14.58           N  
ATOM    157  CA  GLY    21      22.878  38.914 -18.160  1.00 16.60           C  
ATOM    158  C   GLY    21      22.533  39.438 -16.774  1.00 15.55           C  
ATOM    159  O   GLY    21      23.389  39.418 -15.878  1.00 19.71           O  
ATOM    160  N   GLY    22      21.339  39.974 -16.592  1.00 14.21           N  
ATOM    161  CA  GLY    22      20.891  40.484 -15.305  1.00 14.60           C  
ATOM    162  C   GLY    22      21.279  41.905 -15.006  1.00 13.46           C  
ATOM    163  O   GLY    22      21.107  42.343 -13.851  1.00 16.59           O  
ATOM    164  N   GLY    23      21.789  42.639 -15.986  1.00 13.65           N  
ATOM    165  CA  GLY    23      22.174  44.005 -15.812  1.00 14.21           C  
ATOM    166  C   GLY    23      21.054  45.000 -16.116  1.00 13.37           C  
ATOM    167  O   GLY    23      19.893  44.629 -16.119  1.00 14.19           O  
ATOM    168  N   ASN    24      21.467  46.234 -16.375  1.00 13.58           N  
ATOM    169  CA  ASN    24      20.513  47.284 -16.795  1.00 13.79           C  
ATOM    170  C   ASN    24      21.307  48.244 -17.703  1.00 14.11           C  
ATOM    171  O   ASN    24      22.195  48.961 -17.214  1.00 17.44           O  
ATOM    172  CB  ASN    24      19.960  47.997 -15.594  1.00 13.72           C  
ATOM    173  CG  ASN    24      18.865  48.943 -15.965  1.00 14.81           C  
ATOM    174  OD1 ASN    24      18.874  49.632 -17.022  1.00 15.79           O  
ATOM    175  ND2 ASN    24      17.843  49.015 -15.134  1.00 14.49           N  
ATOM    176  N   ASN    25      20.988  48.235 -19.000  1.00 14.08           N  
ATOM    177  CA  ASN    25      21.797  49.056 -19.915  1.00 16.64           C  
ATOM    178  C   ASN    25      21.492  50.548 -19.805  1.00 17.26           C  
ATOM    179  O   ASN    25      22.197  51.362 -20.383  1.00 23.87           O  
ATOM    180  CB  ASN    25      21.529  48.620 -21.323  1.00 16.41           C  
ATOM    181  CG  ASN    25      21.802  47.178 -21.598  1.00 16.18           C  
ATOM    182  OD1 ASN    25      22.549  46.503 -20.854  1.00 17.87           O  
ATOM    183  ND2 ASN    25      21.250  46.651 -22.676  1.00 17.98           N  
ATOM    184  N   VAL    26      20.345  50.879 -19.215  1.00 15.94           N  
ATOM    185  CA  VAL    26      19.861  52.270 -19.156  1.00 17.76           C  
ATOM    186  C   VAL    26      20.304  52.939 -17.885  1.00 18.10           C  
ATOM    187  O   VAL    26      20.876  54.043 -17.978  1.00 23.25           O  
ATOM    188  CB  VAL    26      18.338  52.323 -19.352  1.00 18.22           C  
ATOM    189  CG1 VAL    26      17.845  53.755 -19.341  1.00 21.81           C  
ATOM    190  CG2 VAL    26      17.957  51.618 -20.644  1.00 20.35           C  
ATOM    191  N   ILE    27      20.099  52.336 -16.736  1.00 18.78           N  
ATOM    192  CA  ILE    27      20.505  52.839 -15.425  1.00 20.98           C  
ATOM    193  C   ILE    27      21.332  51.743 -14.754  1.00 19.34           C  
ATOM    194  O   ILE    27      20.796  50.758 -14.250  1.00 18.20           O  
ATOM    195  CB  ILE    27      19.319  53.198 -14.538  1.00 22.58           C  
ATOM    196  CG1 ILE    27      18.335  54.164 -15.179  1.00 24.97           C  
ATOM    197  CG2 ILE    27      19.840  53.671 -13.175  1.00 28.67           C  
ATOM    198  CD1 ILE    27      17.161  54.495 -14.305  1.00 37.60           C  
ATOM    199  N   PRO    28      22.645  51.761 -14.978  1.00 23.21           N  
ATOM    200  CA  PRO    28      23.470  50.586 -14.688  1.00 22.54           C  
ATOM    201  C   PRO    28      23.445  50.045 -13.273  1.00 21.59           C  
ATOM    202  O   PRO    28      23.631  48.822 -13.137  1.00 25.17           O  
ATOM    203  CB  PRO    28      24.897  51.035 -15.090  1.00 28.30           C  
ATOM    204  CG  PRO    28      24.605  52.054 -16.119  1.00 32.21           C  
ATOM    205  CD  PRO    28      23.398  52.841 -15.682  1.00 28.26           C  
ATOM    206  N   ASP    29      23.113  50.832 -12.246  1.00 22.84           N  
ATOM    207  CA  ASP    29      23.111  50.207 -10.928  1.00 22.30           C  
ATOM    208  C   ASP    29      21.777  49.565 -10.599  1.00 20.11           C  
ATOM    209  O   ASP    29      21.699  48.822  -9.609  1.00 21.05           O  
ATOM    210  CB AASP    29      23.287  51.321  -9.870  0.35 25.48           C  
ATOM    211  CB BASP    29      23.577  51.167  -9.853  0.65 25.70           C  
ATOM    212  CG AASP    29      24.657  51.958  -9.850  0.35 27.52           C  
ATOM    213  CG BASP    29      22.649  52.344  -9.710  0.65 26.54           C  
ATOM    214  OD1AASP    29      25.663  51.230  -9.749  0.35 32.39           O  
ATOM    215  OD1BASP    29      21.772  52.591 -10.548  0.65 31.14           O  
ATOM    216  OD2AASP    29      24.712  53.195  -9.983  0.35 34.82           O  
ATOM    217  OD2BASP    29      22.903  53.117  -8.752  0.65 38.07           O  
ATOM    218  N   HIS    30      20.759  49.759 -11.454  1.00 20.10           N  
ATOM    219  CA  HIS    30      19.443  49.198 -11.120  1.00 18.22           C  
ATOM    220  C   HIS    30      19.269  47.830 -11.762  1.00 17.20           C  
ATOM    221  O   HIS    30      18.461  47.578 -12.647  1.00 16.40           O  
ATOM    222  CB AHIS    30      18.297  50.130 -11.517  0.35 19.99           C  
ATOM    223  CB BHIS    30      18.331  50.149 -11.568  0.65 20.69           C  
ATOM    224  CG AHIS    30      17.948  51.228 -10.563  0.35 20.83           C  
ATOM    225  CG BHIS    30      18.246  51.407 -10.762  0.65 20.75           C  
ATOM    226  ND1AHIS    30      16.653  51.587 -10.259  0.35 20.51           N  
ATOM    227  ND1BHIS    30      19.273  52.041 -10.104  0.65 23.23           N  
ATOM    228  CD2AHIS    30      18.711  52.087  -9.847  0.35 21.71           C  
ATOM    229  CD2BHIS    30      17.178  52.226 -10.610  0.65 20.33           C  
ATOM    230  CE1AHIS    30      16.651  52.590  -9.389  0.35 19.95           C  
ATOM    231  CE1BHIS    30      18.846  53.136  -9.488  0.65 21.73           C  
ATOM    232  NE2AHIS    30      17.897  52.909  -9.121  0.35 20.65           N  
ATOM    233  NE2BHIS    30      17.569  53.256  -9.819  0.65 21.31           N  
ATOM    234  N   THR    31      20.130  46.886 -11.381  1.00 17.35           N  
ATOM    235  CA  THR    31      20.243  45.583 -11.943  1.00 15.49           C  
ATOM    236  C   THR    31      19.203  44.604 -11.427  1.00 14.64           C  
ATOM    237  O   THR    31      18.343  44.911 -10.586  1.00 16.49           O  
ATOM    238  CB  THR    31      21.632  44.940 -11.734  1.00 16.64           C  
ATOM    239  OG1 THR    31      21.633  44.585 -10.328  1.00 18.94           O  
ATOM    240  CG2 THR    31      22.770  45.863 -12.059  1.00 19.41           C  
ATOM    241  N   LEU    32      19.218  43.392 -11.989  1.00 14.70           N  
ATOM    242  CA  LEU    32      18.297  42.352 -11.566  1.00 13.24           C  
ATOM    243  C   LEU    32      18.870  41.404 -10.507  1.00 15.67           C  
ATOM    244  O   LEU    32      18.347  40.333 -10.270  1.00 18.07           O  
ATOM    245  CB  LEU    32      17.782  41.558 -12.760  1.00 14.74           C  
ATOM    246  CG  LEU    32      17.143  42.345 -13.886  1.00 16.27           C  
ATOM    247  CD1 LEU    32      16.520  41.412 -14.914  1.00 16.87           C  
ATOM    248  CD2 LEU    32      16.151  43.377 -13.423  1.00 20.21           C  
ATOM    249  N   GLN    33      19.933  41.853  -9.852  1.00 15.92           N  
ATOM    250  CA  GLN    33      20.487  41.143  -8.674  1.00 16.04           C  
ATOM    251  C   GLN    33      19.641  41.472  -7.431  1.00 16.11           C  
ATOM    252  O   GLN    33      19.069  42.547  -7.305  1.00 17.51           O  
ATOM    253  CB AGLN    33      21.967  41.394  -8.495  0.56 19.11           C  
ATOM    254  CB BGLN    33      21.852  41.778  -8.385  0.44 18.14           C  
ATOM    255  CG AGLN    33      22.770  41.007  -9.714  0.56 22.51           C  
ATOM    256  CG BGLN    33      22.983  41.428  -9.300  0.44 20.59           C  
ATOM    257  CD AGLN    33      24.162  41.581  -9.781  0.56 23.78           C  
ATOM    258  CD BGLN    33      23.366  39.978  -9.407  0.44 22.90           C  
ATOM    259  OE1AGLN    33      24.365  42.751 -10.143  0.56 29.70           O  
ATOM    260  OE1BGLN    33      23.978  39.572 -10.389  0.44 30.63           O  
ATOM    261  NE2AGLN    33      25.122  40.712  -9.503  0.56 28.14           N  
ATOM    262  NE2BGLN    33      23.066  39.194  -8.372  0.44 25.17           N  
ATOM    263  N   LYS    34      19.545  40.494  -6.521  1.00 17.34           N  
ATOM    264  CA  LYS    34      18.741  40.606  -5.329  1.00 18.75           C  
ATOM    265  C   LYS    34      18.989  41.872  -4.538  1.00 17.40           C  
ATOM    266  O   LYS    34      18.051  42.597  -4.236  1.00 19.92           O  
ATOM    267  CB ALYS    34      18.998  39.378  -4.423  0.63 19.52           C  
ATOM    268  CB BLYS    34      18.688  39.300  -4.562  0.37 19.70           C  
ATOM    269  CG ALYS    34      18.123  39.410  -3.175  0.63 19.98           C  
ATOM    270  CG BLYS    34      19.281  39.180  -3.183  0.37 22.82           C  
ATOM    271  CD ALYS    34      18.357  38.196  -2.288  0.63 25.20           C  
ATOM    272  CD BLYS    34      19.131  37.748  -2.666  0.37 27.58           C  
ATOM    273  CE ALYS    34      19.669  38.282  -1.528  0.63 29.71           C  
ATOM    274  CE BLYS    34      20.493  37.069  -2.651  0.37 31.92           C  
ATOM    275  NZ ALYS    34      20.264  36.960  -1.149  0.63 36.41           N  
ATOM    276  NZ BLYS    34      20.890  36.566  -3.994  0.37 41.50           N  
ATOM    277  N   ALA    35      20.233  42.197  -4.227  1.00 18.72           N  
ATOM    278  CA  ALA    35      20.532  43.345  -3.368  1.00 19.49           C  
ATOM    279  C   ALA    35      20.148  44.659  -4.068  1.00 20.07           C  
ATOM    280  O   ALA    35      19.810  45.623  -3.379  1.00 22.90           O  
ATOM    281  CB  ALA    35      21.972  43.336  -2.933  1.00 23.92           C  
ATOM    282  N   ALA    36      20.245  44.713  -5.416  1.00 18.41           N  
ATOM    283  CA  ALA    36      19.881  45.898  -6.172  1.00 18.89           C  
ATOM    284  C   ALA    36      18.366  46.077  -6.121  1.00 17.62           C  
ATOM    285  O   ALA    36      17.801  47.113  -5.866  1.00 21.20           O  
ATOM    286  CB  ALA    36      20.417  45.818  -7.582  1.00 19.37           C  
ATOM    287  N   ILE    37      17.648  44.938  -6.369  1.00 17.80           N  
ATOM    288  CA  ILE    37      16.196  45.010  -6.301  1.00 18.49           C  
ATOM    289  C   ILE    37      15.693  45.477  -4.928  1.00 18.91           C  
ATOM    290  O   ILE    37      14.769  46.299  -4.798  1.00 23.86           O  
ATOM    291  CB  ILE    37      15.585  43.683  -6.758  1.00 18.48           C  
ATOM    292  CG1 ILE    37      15.852  43.386  -8.235  1.00 18.25           C  
ATOM    293  CG2 ILE    37      14.102  43.581  -6.434  1.00 21.20           C  
ATOM    294  CD1 ILE    37      15.647  41.945  -8.658  1.00 22.91           C  
ATOM    295  N   GLU    38      16.298  44.918  -3.872  1.00 20.63           N  
ATOM    296  CA  GLU    38      15.901  45.242  -2.513  1.00 25.91           C  
ATOM    297  C   GLU    38      16.059  46.748  -2.259  1.00 27.90           C  
ATOM    298  O   GLU    38      15.231  47.292  -1.535  1.00 31.96           O  
ATOM    299  CB  GLU    38      16.766  44.481  -1.504  1.00 27.72           C  
ATOM    300  CG  GLU    38      16.561  42.987  -1.369  1.00 31.29           C  
ATOM    301  CD  GLU    38      17.433  42.238  -0.386  1.00 34.70           C  
ATOM    302  OE1 GLU    38      18.506  42.737   0.014  1.00 39.09           O  
ATOM    303  OE2 GLU    38      17.077  41.096   0.055  1.00 43.54           O  
ATOM    304  N   GLN    39      17.084  47.372  -2.875  1.00 27.54           N  
ATOM    305  CA  GLN    39      17.316  48.805  -2.691  1.00 30.19           C  
ATOM    306  C   GLN    39      16.495  49.735  -3.603  1.00 27.80           C  
ATOM    307  O   GLN    39      16.014  50.800  -3.185  1.00 28.04           O  
ATOM    308  CB  GLN    39      18.801  49.146  -2.865  1.00 33.72           C  
ATOM    309  CG  GLN    39      19.798  48.539  -1.868  1.00 38.88           C  
ATOM    310  CD  GLN    39      19.543  49.050  -0.457  1.00 38.02           C  
ATOM    311  OE1 GLN    39      19.493  50.257  -0.273  1.00 43.96           O  
ATOM    312  NE2 GLN    39      19.286  48.206   0.538  1.00 40.25           N  
ATOM    313  N   PHE    40      16.339  49.357  -4.888  1.00 26.47           N  
ATOM    314  CA  PHE    40      15.827  50.278  -5.889  1.00 26.50           C  
ATOM    315  C   PHE    40      14.442  49.989  -6.444  1.00 27.04           C  
ATOM    316  O   PHE    40      13.886  50.878  -7.107  1.00 31.52           O  
ATOM    317  CB  PHE    40      16.833  50.264  -7.056  1.00 27.87           C  
ATOM    318  CG  PHE    40      18.223  50.749  -6.708  1.00 30.27           C  
ATOM    319  CD1 PHE    40      18.431  51.975  -6.080  1.00 32.59           C  
ATOM    320  CD2 PHE    40      19.287  49.921  -7.068  1.00 28.99           C  
ATOM    321  CE1 PHE    40      19.745  52.329  -5.825  1.00 36.15           C  
ATOM    322  CE2 PHE    40      20.595  50.224  -6.759  1.00 33.67           C  
ATOM    323  CZ  PHE    40      20.765  51.436  -6.118  1.00 35.47           C  
ATOM    324  N   LEU    41      13.953  48.755  -6.237  1.00 24.88           N  
ATOM    325  CA  LEU    41      12.616  48.446  -6.754  1.00 23.83           C  
ATOM    326  C   LEU    41      11.612  48.873  -5.709  1.00 26.84           C  
ATOM    327  O   LEU    41      11.694  48.474  -4.540  1.00 26.32           O  
ATOM    328  CB  LEU    41      12.463  46.955  -7.062  1.00 22.14           C  
ATOM    329  CG  LEU    41      11.087  46.539  -7.551  1.00 21.93           C  
ATOM    330  CD1 LEU    41      10.732  47.206  -8.912  1.00 23.72           C  
ATOM    331  CD2 LEU    41      10.891  45.053  -7.729  1.00 23.14           C  
ATOM    332  N   ASP    42      10.832  49.896  -6.092  1.00 27.27           N  
ATOM    333  CA  ASP    42       9.794  50.401  -5.215  1.00 29.11           C  
ATOM    334  C   ASP    42       8.960  49.177  -4.783  1.00 28.76           C  
ATOM    335  O   ASP    42       8.538  48.479  -5.710  1.00 39.70           O  
ATOM    336  CB AASP    42       8.949  51.480  -5.894  0.63 30.75           C  
ATOM    337  CB BASP    42       8.842  51.167  -6.207  0.37 32.01           C  
ATOM    338  CG AASP    42       9.709  52.743  -6.252  0.63 35.46           C  
ATOM    339  CG BASP    42       8.017  52.039  -5.266  0.37 32.08           C  
ATOM    340  OD1AASP    42      10.830  52.945  -5.723  0.63 38.65           O  
ATOM    341  OD1BASP    42       8.555  52.166  -4.145  0.37 26.79           O  
ATOM    342  OD2AASP    42       9.252  53.519  -7.113  0.63 42.52           O  
ATOM    343  OD2BASP    42       6.928  52.454  -5.636  0.37 40.79           O  
ATOM    344  N   GLY    43       8.828  48.790  -3.538  1.00 35.12           N  
ATOM    345  CA  GLY    43       8.110  47.547  -3.143  1.00 31.54           C  
ATOM    346  C   GLY    43       9.059  46.429  -2.712  1.00 32.30           C  
ATOM    347  O   GLY    43       8.759  45.427  -2.032  1.00 38.51           O  
ATOM    348  N   GLY    44      10.347  46.420  -3.111  1.00 31.33           N  
ATOM    349  CA  GLY    44      11.280  45.416  -2.606  1.00 32.21           C  
ATOM    350  C   GLY    44      11.372  44.117  -3.374  1.00 30.46           C  
ATOM    351  O   GLY    44      10.803  43.969  -4.438  1.00 27.30           O  
ATOM    352  N   PHE    45      12.106  43.149  -2.834  1.00 31.19           N  
ATOM    353  CA  PHE    45      12.334  41.872  -3.507  1.00 28.54           C  
ATOM    354  C   PHE    45      11.222  40.860  -3.205  1.00 30.24           C  
ATOM    355  O   PHE    45      11.257  40.083  -2.223  1.00 35.42           O  
ATOM    356  CB  PHE    45      13.675  41.282  -3.137  1.00 24.63           C  
ATOM    357  CG  PHE    45      14.106  39.986  -3.775  1.00 23.63           C  
ATOM    358  CD1 PHE    45      14.262  39.933  -5.137  1.00 23.32           C  
ATOM    359  CD2 PHE    45      14.331  38.824  -3.065  1.00 24.41           C  
ATOM    360  CE1 PHE    45      14.665  38.822  -5.830  1.00 22.86           C  
ATOM    361  CE2 PHE    45      14.702  37.688  -3.756  1.00 26.18           C  
ATOM    362  CZ  PHE    45      14.877  37.649  -5.123  1.00 24.42           C  
ATOM    363  N   ASN    46      10.128  40.977  -3.915  1.00 32.78           N  
ATOM    364  CA  ASN    46       8.889  40.257  -3.786  1.00 36.75           C  
ATOM    365  C   ASN    46       8.242  40.111  -5.169  1.00 33.28           C  
ATOM    366  O   ASN    46       8.417  41.005  -6.008  1.00 31.52           O  
ATOM    367  CB  ASN    46       7.858  40.986  -2.855  1.00 45.23           C  
ATOM    368  CG  ASN    46       8.444  41.285  -1.515  1.00 53.11           C  
ATOM    369  OD1 ASN    46       8.525  42.384  -0.977  1.00 66.40           O  
ATOM    370  ND2 ASN    46       8.973  40.217  -0.900  1.00 68.36           N  
ATOM    371  N   ILE    47       7.608  39.003  -5.445  1.00 31.59           N  
ATOM    372  CA  ILE    47       6.964  38.832  -6.727  1.00 28.94           C  
ATOM    373  C   ILE    47       5.962  39.925  -7.069  1.00 28.73           C  
ATOM    374  O   ILE    47       5.993  40.337  -8.223  1.00 28.12           O  
ATOM    375  CB  ILE    47       6.301  37.443  -6.830  1.00 33.78           C  
ATOM    376  CG1 ILE    47       7.234  36.256  -6.825  1.00 35.75           C  
ATOM    377  CG2 ILE    47       5.340  37.439  -8.013  1.00 38.39           C  
ATOM    378  CD1 ILE    47       7.942  35.979  -8.116  1.00 37.03           C  
ATOM    379  N   GLU    48       5.119  40.333  -6.109  1.00 29.64           N  
ATOM    380  CA  GLU    48       4.132  41.350  -6.502  1.00 31.74           C  
ATOM    381  C   GLU    48       4.863  42.622  -6.890  1.00 27.61           C  
ATOM    382  O   GLU    48       4.280  43.389  -7.705  1.00 27.92           O  
ATOM    383  CB AGLU    48       3.134  41.513  -5.342  0.60 35.24           C  
ATOM    384  CB BGLU    48       3.054  41.666  -5.484  0.40 35.56           C  
ATOM    385  CG AGLU    48       2.733  40.136  -4.819  0.60 40.28           C  
ATOM    386  CG BGLU    48       3.011  41.087  -4.110  0.40 35.94           C  
ATOM    387  CD AGLU    48       3.420  39.927  -3.465  0.60 39.47           C  
ATOM    388  CD BGLU    48       3.668  41.833  -2.980  0.40 37.18           C  
ATOM    389  OE1AGLU    48       4.664  39.738  -3.496  0.60 37.58           O  
ATOM    390  OE1BGLU    48       4.223  42.919  -3.223  0.40 37.99           O  
ATOM    391  OE2BGLU    48       3.739  41.355  -1.834  0.40 29.72           O  
ATOM    392  OE2AGLU    48       2.819  39.905  -2.380  0.60 33.01           O  
ATOM    393  N   ALA    49       5.982  42.976  -6.276  1.00 30.69           N  
ATOM    394  CA  ALA    49       6.648  44.227  -6.659  1.00 27.88           C  
ATOM    395  C   ALA    49       7.233  44.112  -8.072  1.00 24.13           C  
ATOM    396  O   ALA    49       7.116  45.083  -8.811  1.00 25.59           O  
ATOM    397  CB  ALA    49       7.763  44.563  -5.696  1.00 31.79           C  
ATOM    398  N   ILE    50       7.664  42.919  -8.420  1.00 22.34           N  
ATOM    399  CA  ILE    50       8.175  42.658  -9.797  1.00 20.61           C  
ATOM    400  C   ILE    50       7.084  42.732 -10.845  1.00 20.16           C  
ATOM    401  O   ILE    50       7.158  43.449 -11.829  1.00 19.74           O  
ATOM    402  CB  ILE    50       8.959  41.365  -9.787  1.00 20.81           C  
ATOM    403  CG1 ILE    50      10.217  41.381  -8.936  1.00 20.94           C  
ATOM    404  CG2 ILE    50       9.425  41.027 -11.226  1.00 20.83           C  
ATOM    405  CD1 ILE    50      10.876  40.084  -8.649  1.00 28.69           C  
ATOM    406  N   VAL    51       5.967  42.021 -10.518  1.00 21.04           N  
ATOM    407  CA  VAL    51       4.785  42.161 -11.350  1.00 21.92           C  
ATOM    408  C   VAL    51       4.358  43.582 -11.621  1.00 19.30           C  
ATOM    409  O   VAL    51       3.993  43.984 -12.703  1.00 20.62           O  
ATOM    410  CB  VAL    51       3.638  41.258 -10.847  1.00 22.90           C  
ATOM    411  CG1 VAL    51       2.366  41.526 -11.631  1.00 26.59           C  
ATOM    412  CG2 VAL    51       4.117  39.824 -10.843  1.00 28.29           C  
ATOM    413  N   TYR    52       4.194  44.350 -10.487  1.00 22.35           N  
ATOM    414  CA  TYR    52       3.694  45.703 -10.563  1.00 22.94           C  
ATOM    415  C   TYR    52       4.513  46.521 -11.531  1.00 18.89           C  
ATOM    416  O   TYR    52       3.958  47.287 -12.368  1.00 20.88           O  
ATOM    417  CB  TYR    52       3.641  46.227  -9.110  1.00 26.07           C  
ATOM    418  CG  TYR    52       2.900  47.537  -9.085  1.00 28.55           C  
ATOM    419  CD1 TYR    52       3.555  48.728  -9.281  1.00 28.15           C  
ATOM    420  CD2 TYR    52       1.523  47.569  -8.843  1.00 30.75           C  
ATOM    421  CE1 TYR    52       2.860  49.918  -9.247  1.00 30.93           C  
ATOM    422  CE2 TYR    52       0.808  48.753  -8.848  1.00 31.49           C  
ATOM    423  CZ  TYR    52       1.489  49.932  -9.060  1.00 31.37           C  
ATOM    424  OH  TYR    52       0.834  51.120  -9.042  1.00 40.84           O  
ATOM    425  N   GLN    53       5.837  46.390 -11.432  1.00 21.18           N  
ATOM    426  CA  GLN    53       6.711  47.180 -12.332  1.00 20.74           C  
ATOM    427  C   GLN    53       6.718  46.680 -13.757  1.00 17.57           C  
ATOM    428  O   GLN    53       6.663  47.504 -14.669  1.00 18.01           O  
ATOM    429  CB  GLN    53       8.163  47.265 -11.810  1.00 22.73           C  
ATOM    430  CG  GLN    53       9.007  48.242 -12.658  1.00 22.72           C  
ATOM    431  CD  GLN    53      10.100  48.910 -11.861  1.00 20.54           C  
ATOM    432  OE1 GLN    53      11.282  48.887 -12.232  1.00 24.86           O  
ATOM    433  NE2 GLN    53       9.724  49.650 -10.856  1.00 24.06           N  
ATOM    434  N   ILE    54       6.496  45.390 -13.970  1.00 16.88           N  
ATOM    435  CA  ILE    54       6.258  44.901 -15.319  1.00 16.62           C  
ATOM    436  C   ILE    54       4.991  45.455 -15.951  1.00 16.29           C  
ATOM    437  O   ILE    54       4.954  45.927 -17.086  1.00 17.16           O  
ATOM    438  CB  ILE    54       6.321  43.379 -15.356  1.00 17.30           C  
ATOM    439  CG1 ILE    54       7.662  42.795 -14.984  1.00 17.22           C  
ATOM    440  CG2 ILE    54       5.924  42.832 -16.715  1.00 18.80           C  
ATOM    441  CD1 ILE    54       7.724  41.368 -14.614  1.00 22.91           C  
ATOM    442  N   GLU    55       3.880  45.394 -15.181  1.00 18.85           N  
ATOM    443  CA  GLU    55       2.590  45.885 -15.659  1.00 18.79           C  
ATOM    444  C   GLU    55       2.551  47.338 -16.046  1.00 17.33           C  
ATOM    445  O   GLU    55       2.005  47.749 -17.053  1.00 21.02           O  
ATOM    446  CB  GLU    55       1.456  45.479 -14.741  1.00 21.65           C  
ATOM    447  CG  GLU    55       1.161  44.001 -14.650  1.00 25.50           C  
ATOM    448  CD  GLU    55       0.149  43.591 -13.601  1.00 27.57           C  
ATOM    449  OE1 GLU    55      -0.158  44.425 -12.737  1.00 35.04           O  
ATOM    450  OE2 GLU    55      -0.287  42.410 -13.643  1.00 40.59           O  
ATOM    451  N   ASN    56       3.104  48.133 -15.073  1.00 18.66           N  
ATOM    452  CA  ASN    56       2.927  49.566 -15.101  1.00 20.29           C  
ATOM    453  C   ASN    56       4.111  50.360 -15.632  1.00 19.25           C  
ATOM    454  O   ASN    56       3.969  51.509 -16.034  1.00 22.94           O  
ATOM    455  CB  ASN    56       2.634  50.085 -13.673  1.00 21.56           C  
ATOM    456  CG  ASN    56       1.273  49.592 -13.210  1.00 23.64           C  
ATOM    457  OD1 ASN    56       0.253  50.003 -13.747  1.00 32.37           O  
ATOM    458  ND2 ASN    56       1.239  48.625 -12.307  1.00 24.12           N  
ATOM    459  N   GLY    57       5.237  49.698 -15.820  1.00 18.66           N  
ATOM    460  CA  GLY    57       6.460  50.367 -16.223  1.00 18.85           C  
ATOM    461  C   GLY    57       6.973  51.303 -15.146  1.00 18.69           C  
ATOM    462  O   GLY    57       6.395  51.479 -14.054  1.00 22.69           O  
ATOM    463  N   LYS    58       8.128  51.915 -15.419  1.00 18.10           N  
ATOM    464  CA  LYS    58       8.685  52.925 -14.535  1.00 21.31           C  
ATOM    465  C   LYS    58       9.747  53.694 -15.308  1.00 19.74           C  
ATOM    466  O   LYS    58      10.732  53.112 -15.756  1.00 19.94           O  
ATOM    467  CB ALYS    58       9.210  52.395 -13.201  0.43 22.82           C  
ATOM    468  CB BLYS    58       9.395  52.287 -13.311  0.57 21.94           C  
ATOM    469  CG ALYS    58       9.124  53.453 -12.093  0.43 25.31           C  
ATOM    470  CG BLYS    58      10.094  53.362 -12.486  0.57 25.00           C  
ATOM    471  CD ALYS    58       8.979  52.882 -10.715  0.43 29.59           C  
ATOM    472  CD BLYS    58      10.181  53.129 -11.012  0.57 27.15           C  
ATOM    473  CE ALYS    58       7.590  52.507 -10.269  0.43 31.62           C  
ATOM    474  CE BLYS    58      10.657  54.333 -10.215  0.57 31.04           C  
ATOM    475  NZ ALYS    58       7.308  52.918  -8.847  0.43 33.27           N  
ATOM    476  NZ BLYS    58      11.682  54.047  -9.169  0.57 30.25           N  
ATOM    477  N   GLY    59       9.570  55.002 -15.474  1.00 23.45           N  
ATOM    478  CA  GLY    59      10.600  55.780 -16.122  1.00 24.09           C  
ATOM    479  C   GLY    59      10.833  55.337 -17.564  1.00 20.75           C  
ATOM    480  O   GLY    59       9.916  55.295 -18.383  1.00 24.06           O  
ATOM    481  N   ALA    60      12.074  54.951 -17.839  1.00 19.12           N  
ATOM    482  CA  ALA    60      12.487  54.467 -19.134  1.00 17.12           C  
ATOM    483  C   ALA    60      12.143  53.007 -19.400  1.00 15.30           C  
ATOM    484  O   ALA    60      12.356  52.492 -20.484  1.00 17.07           O  
ATOM    485  CB  ALA    60      13.955  54.664 -19.402  1.00 20.12           C  
ATOM    486  N   MET    61      11.616  52.310 -18.367  1.00 15.48           N  
ATOM    487  CA  MET    61      11.150  50.952 -18.582  1.00 13.70           C  
ATOM    488  C   MET    61       9.702  50.982 -19.072  1.00 14.38           C  
ATOM    489  O   MET    61       8.816  51.495 -18.350  1.00 15.90           O  
ATOM    490  CB  MET    61      11.228  50.126 -17.291  1.00 13.98           C  
ATOM    491  CG  MET    61      10.692  48.716 -17.503  1.00 13.60           C  
ATOM    492  SD  MET    61      11.192  47.599 -16.165  1.00 13.21           S  
ATOM    493  CE  MET    61       9.859  46.393 -16.206  1.00 15.78           C  
ATOM    494  N   PRO    62       9.423  50.420 -20.229  1.00 14.34           N  
ATOM    495  CA  PRO    62       8.020  50.421 -20.732  1.00 16.18           C  
ATOM    496  C   PRO    62       7.130  49.537 -19.871  1.00 15.34           C  
ATOM    497  O   PRO    62       7.525  48.629 -19.124  1.00 16.51           O  
ATOM    498  CB  PRO    62       8.133  49.810 -22.093  1.00 19.56           C  
ATOM    499  CG  PRO    62       9.533  49.645 -22.408  1.00 19.95           C  
ATOM    500  CD  PRO    62      10.359  49.809 -21.181  1.00 14.90           C  
ATOM    501  N   ALA    63       5.840  49.835 -19.942  1.00 16.41           N  
ATOM    502  CA  ALA    63       4.781  49.042 -19.360  1.00 17.07           C  
ATOM    503  C   ALA    63       4.395  47.881 -20.284  1.00 16.26           C  
ATOM    504  O   ALA    63       4.388  48.025 -21.517  1.00 21.34           O  
ATOM    505  CB  ALA    63       3.558  49.936 -19.111  1.00 18.92           C  
ATOM    506  N   TRP    64       4.051  46.771 -19.645  1.00 16.10           N  
ATOM    507  CA  TRP    64       3.740  45.574 -20.460  1.00 17.37           C  
ATOM    508  C   TRP    64       2.287  45.128 -20.359  1.00 18.49           C  
ATOM    509  O   TRP    64       1.853  44.151 -20.978  1.00 19.86           O  
ATOM    510  CB  TRP    64       4.714  44.431 -20.079  1.00 17.69           C  
ATOM    511  CG  TRP    64       6.138  44.825 -20.408  1.00 16.80           C  
ATOM    512  CD1 TRP    64       7.017  45.506 -19.618  1.00 16.69           C  
ATOM    513  CD2 TRP    64       6.726  44.687 -21.689  1.00 17.29           C  
ATOM    514  NE1 TRP    64       8.164  45.759 -20.333  1.00 17.77           N  
ATOM    515  CE2 TRP    64       8.011  45.244 -21.598  1.00 17.48           C  
ATOM    516  CE3 TRP    64       6.340  44.095 -22.919  1.00 19.53           C  
ATOM    517  CZ2 TRP    64       8.948  45.315 -22.627  1.00 18.91           C  
ATOM    518  CZ3 TRP    64       7.260  44.175 -23.909  1.00 22.22           C  
ATOM    519  CH2 TRP    64       8.534  44.742 -23.790  1.00 22.13           C  
ATOM    520  N   ASP    65       1.437  45.777 -19.550  1.00 21.18           N  
ATOM    521  CA  ASP    65       0.034  45.381 -19.394  1.00 23.88           C  
ATOM    522  C   ASP    65      -0.632  45.380 -20.765  1.00 25.01           C  
ATOM    523  O   ASP    65      -0.473  46.333 -21.549  1.00 29.27           O  
ATOM    524  CB  ASP    65      -0.627  46.344 -18.407  1.00 31.30           C  
ATOM    525  CG  ASP    65      -2.093  46.070 -18.132  1.00 38.84           C  
ATOM    526  OD1 ASP    65      -2.503  44.894 -18.095  1.00 46.71           O  
ATOM    527  OD2 ASP    65      -2.765  47.090 -17.865  1.00 56.24           O  
ATOM    528  N   GLY    66      -1.340  44.288 -21.075  1.00 25.46           N  
ATOM    529  CA  GLY    66      -1.989  44.167 -22.357  1.00 25.87           C  
ATOM    530  C   GLY    66      -1.168  43.699 -23.526  1.00 23.36           C  
ATOM    531  O   GLY    66      -1.791  43.255 -24.491  1.00 30.05           O  
ATOM    532  N   ARG    67       0.159  43.769 -23.414  1.00 21.35           N  
ATOM    533  CA  ARG    67       1.093  43.339 -24.432  1.00 21.87           C  
ATOM    534  C   ARG    67       1.626  41.949 -24.091  1.00 21.80           C  
ATOM    535  O   ARG    67       2.038  41.252 -25.035  1.00 25.77           O  
ATOM    536  CB AARG    67       2.322  44.223 -24.597  0.56 23.88           C  
ATOM    537  CB BARG    67       2.202  44.374 -24.625  0.44 25.47           C  
ATOM    538  CG AARG    67       2.237  45.381 -25.588  0.56 29.56           C  
ATOM    539  CG BARG    67       1.671  45.788 -24.873  0.44 29.56           C  
ATOM    540  CD AARG    67       3.215  46.484 -25.259  0.56 31.78           C  
ATOM    541  CD BARG    67       2.700  46.910 -24.984  0.44 33.17           C  
ATOM    542  NE AARG    67       4.510  46.556 -25.889  0.56 34.02           N  
ATOM    543  NE BARG    67       2.146  48.142 -24.425  0.44 37.03           N  
ATOM    544  CZ AARG    67       5.640  47.008 -25.361  0.56 34.01           C  
ATOM    545  CZ BARG    67       2.667  49.222 -23.886  0.44 37.44           C  
ATOM    546  NH1AARG    67       5.739  47.460 -24.105  0.56 34.03           N  
ATOM    547  NH1BARG    67       3.982  49.421 -23.764  0.44 37.35           N  
ATOM    548  NH2AARG    67       6.764  47.035 -26.081  0.56 36.97           N  
ATOM    549  NH2BARG    67       1.850  50.187 -23.439  0.44 39.70           N  
ATOM    550  N   LEU    68       1.633  41.548 -22.854  1.00 19.18           N  
ATOM    551  CA  LEU    68       1.974  40.254 -22.315  1.00 20.35           C  
ATOM    552  C   LEU    68       0.732  39.784 -21.561  1.00 23.35           C  
ATOM    553  O   LEU    68       0.084  40.612 -20.915  1.00 27.39           O  
ATOM    554  CB  LEU    68       3.178  40.217 -21.385  1.00 20.56           C  
ATOM    555  CG  LEU    68       4.515  40.553 -22.035  1.00 20.45           C  
ATOM    556  CD1 LEU    68       5.658  40.651 -21.040  1.00 24.57           C  
ATOM    557  CD2 LEU    68       4.908  39.481 -23.044  1.00 23.43           C  
ATOM    558  N   ASP    69       0.395  38.501 -21.604  1.00 23.98           N  
ATOM    559  CA  ASP    69      -0.779  38.062 -20.853  1.00 27.42           C  
ATOM    560  C   ASP    69      -0.407  37.706 -19.428  1.00 26.33           C  
ATOM    561  O   ASP    69       0.756  37.784 -18.988  1.00 26.14           O  
ATOM    562  CB  ASP    69      -1.518  36.955 -21.588  1.00 27.25           C  
ATOM    563  CG  ASP    69      -0.837  35.595 -21.566  1.00 29.50           C  
ATOM    564  OD1 ASP    69      -0.031  35.216 -20.675  1.00 28.23           O  
ATOM    565  OD2 ASP    69      -1.193  34.823 -22.512  1.00 33.49           O  
ATOM    566  N   GLU    70      -1.393  37.378 -18.615  1.00 29.12           N  
ATOM    567  CA  GLU    70      -1.227  37.089 -17.231  1.00 31.38           C  
ATOM    568  C   GLU    70      -0.252  35.993 -16.910  1.00 28.38           C  
ATOM    569  O   GLU    70       0.584  36.119 -15.997  1.00 28.51           O  
ATOM    570  CB AGLU    70      -2.632  36.741 -16.691  0.49 35.62           C  
ATOM    571  CB BGLU    70      -2.479  37.096 -16.396  0.51 35.59           C  
ATOM    572  CG AGLU    70      -3.464  35.822 -17.535  0.49 38.89           C  
ATOM    573  CG BGLU    70      -3.242  35.786 -16.380  0.51 38.38           C  
ATOM    574  CD AGLU    70      -4.323  36.278 -18.677  0.49 40.48           C  
ATOM    575  CD BGLU    70      -4.520  35.926 -15.573  0.51 41.87           C  
ATOM    576  OE1BGLU    70      -4.378  36.180 -14.356  0.51 46.19           O  
ATOM    577  OE1AGLU    70      -4.221  37.412 -19.213  0.49 40.37           O  
ATOM    578  OE2AGLU    70      -5.159  35.424 -19.094  0.49 44.32           O  
ATOM    579  OE2BGLU    70      -5.632  35.772 -16.130  0.51 48.51           O  
ATOM    580  N   ASP    71      -0.281  34.943 -17.744  1.00 25.80           N  
ATOM    581  CA  ASP    71       0.653  33.841 -17.516  1.00 25.02           C  
ATOM    582  C   ASP    71       2.087  34.199 -17.890  1.00 21.68           C  
ATOM    583  O   ASP    71       3.029  33.741 -17.241  1.00 21.91           O  
ATOM    584  CB  ASP    71       0.241  32.568 -18.247  1.00 27.77           C  
ATOM    585  CG  ASP    71      -1.080  32.048 -17.701  1.00 36.77           C  
ATOM    586  OD1 ASP    71      -1.047  31.594 -16.554  1.00 50.91           O  
ATOM    587  OD2 ASP    71      -2.105  32.163 -18.375  1.00 48.35           O  
ATOM    588  N   GLU    72       2.235  34.982 -18.943  1.00 20.04           N  
ATOM    589  CA  GLU    72       3.529  35.459 -19.405  1.00 18.05           C  
ATOM    590  C   GLU    72       4.161  36.369 -18.356  1.00 18.93           C  
ATOM    591  O   GLU    72       5.348  36.218 -18.044  1.00 17.78           O  
ATOM    592  CB  GLU    72       3.424  36.161 -20.765  1.00 18.96           C  
ATOM    593  CG  GLU    72       3.086  35.153 -21.866  1.00 19.63           C  
ATOM    594  CD  GLU    72       2.685  35.810 -23.181  1.00 21.70           C  
ATOM    595  OE1 GLU    72       2.135  36.935 -23.202  1.00 22.67           O  
ATOM    596  OE2 GLU    72       2.887  35.078 -24.174  1.00 28.40           O  
ATOM    597  N   ILE    73       3.390  37.290 -17.756  1.00 19.43           N  
ATOM    598  CA  ILE    73       3.908  38.209 -16.740  1.00 19.01           C  
ATOM    599  C   ILE    73       4.275  37.417 -15.505  1.00 19.20           C  
ATOM    600  O   ILE    73       5.341  37.643 -14.897  1.00 20.27           O  
ATOM    601  CB  ILE    73       2.938  39.375 -16.501  1.00 20.79           C  
ATOM    602  CG1 ILE    73       2.841  40.258 -17.733  1.00 21.41           C  
ATOM    603  CG2 ILE    73       3.276  40.157 -15.234  1.00 24.60           C  
ATOM    604  CD1 ILE    73       1.739  41.283 -17.690  1.00 30.72           C  
ATOM    605  N   ALA    74       3.386  36.513 -15.087  1.00 21.10           N  
ATOM    606  CA  ALA    74       3.724  35.707 -13.910  1.00 21.50           C  
ATOM    607  C   ALA    74       4.980  34.881 -14.121  1.00 20.94           C  
ATOM    608  O   ALA    74       5.794  34.706 -13.208  1.00 22.21           O  
ATOM    609  CB  ALA    74       2.562  34.770 -13.629  1.00 26.70           C  
ATOM    610  N   GLY    75       5.098  34.305 -15.324  1.00 19.41           N  
ATOM    611  CA  GLY    75       6.293  33.479 -15.516  1.00 19.43           C  
ATOM    612  C   GLY    75       7.566  34.297 -15.615  1.00 17.82           C  
ATOM    613  O   GLY    75       8.558  33.796 -15.040  1.00 17.56           O  
ATOM    614  N   VAL    76       7.584  35.427 -16.254  1.00 16.05           N  
ATOM    615  CA  VAL    76       8.847  36.194 -16.306  1.00 15.23           C  
ATOM    616  C   VAL    76       9.158  36.728 -14.941  1.00 15.30           C  
ATOM    617  O   VAL    76      10.371  36.780 -14.568  1.00 15.97           O  
ATOM    618  CB  VAL    76       8.832  37.247 -17.405  1.00 14.64           C  
ATOM    619  CG1 VAL    76       7.922  38.435 -17.108  1.00 17.31           C  
ATOM    620  CG2 VAL    76      10.289  37.678 -17.691  1.00 16.13           C  
ATOM    621  N   ALA    77       8.175  37.110 -14.153  1.00 16.46           N  
ATOM    622  CA  ALA    77       8.437  37.589 -12.816  1.00 17.36           C  
ATOM    623  C   ALA    77       9.074  36.465 -11.997  1.00 17.57           C  
ATOM    624  O   ALA    77      10.045  36.649 -11.246  1.00 20.85           O  
ATOM    625  CB  ALA    77       7.142  38.025 -12.126  1.00 19.94           C  
ATOM    626  N   ALA    78       8.574  35.204 -12.173  1.00 19.10           N  
ATOM    627  CA  ALA    78       9.139  34.091 -11.436  1.00 19.79           C  
ATOM    628  C   ALA    78      10.562  33.745 -11.885  1.00 19.55           C  
ATOM    629  O   ALA    78      11.431  33.374 -11.101  1.00 19.95           O  
ATOM    630  CB  ALA    78       8.289  32.853 -11.563  1.00 24.95           C  
ATOM    631  N   TYR    79      10.841  33.893 -13.172  1.00 18.21           N  
ATOM    632  CA  TYR    79      12.200  33.728 -13.676  1.00 18.31           C  
ATOM    633  C   TYR    79      13.158  34.796 -13.137  1.00 16.50           C  
ATOM    634  O   TYR    79      14.222  34.392 -12.690  1.00 17.35           O  
ATOM    635  CB  TYR    79      12.182  33.773 -15.210  1.00 17.29           C  
ATOM    636  CG  TYR    79      13.533  33.697 -15.884  1.00 17.43           C  
ATOM    637  CD1 TYR    79      14.270  32.524 -15.967  1.00 18.53           C  
ATOM    638  CD2 TYR    79      14.118  34.821 -16.479  1.00 17.59           C  
ATOM    639  CE1 TYR    79      15.513  32.455 -16.602  1.00 19.41           C  
ATOM    640  CE2 TYR    79      15.342  34.769 -17.107  1.00 18.02           C  
ATOM    641  CZ  TYR    79      16.044  33.585 -17.169  1.00 19.11           C  
ATOM    642  OH  TYR    79      17.296  33.588 -17.785  1.00 22.65           O  
ATOM    643  N   VAL    80      12.770  36.058 -13.124  1.00 16.16           N  
ATOM    644  CA  VAL    80      13.636  37.061 -12.504  1.00 17.09           C  
ATOM    645  C   VAL    80      13.866  36.727 -11.050  1.00 16.40           C  
ATOM    646  O   VAL    80      15.009  36.754 -10.605  1.00 17.45           O  
ATOM    647  CB  VAL    80      13.024  38.459 -12.645  1.00 17.52           C  
ATOM    648  CG1 VAL    80      13.790  39.463 -11.775  1.00 20.92           C  
ATOM    649  CG2 VAL    80      13.089  38.851 -14.109  1.00 19.43           C  
ATOM    650  N   TYR    81      12.826  36.343 -10.302  1.00 16.34           N  
ATOM    651  CA  TYR    81      12.941  36.010  -8.885  1.00 18.23           C  
ATOM    652  C   TYR    81      13.990  34.892  -8.730  1.00 17.61           C  
ATOM    653  O   TYR    81      14.844  34.940  -7.845  1.00 20.34           O  
ATOM    654  CB  TYR    81      11.574  35.632  -8.308  1.00 18.87           C  
ATOM    655  CG  TYR    81      11.603  35.460  -6.811  1.00 19.25           C  
ATOM    656  CD1 TYR    81      11.979  34.229  -6.236  1.00 21.73           C  
ATOM    657  CD2 TYR    81      11.419  36.542  -5.972  1.00 19.70           C  
ATOM    658  CE1 TYR    81      12.085  34.099  -4.866  1.00 24.85           C  
ATOM    659  CE2 TYR    81      11.514  36.416  -4.604  1.00 21.35           C  
ATOM    660  CZ  TYR    81      11.856  35.201  -4.065  1.00 22.35           C  
ATOM    661  OH  TYR    81      11.945  35.066  -2.686  1.00 29.91           O  
ATOM    662  N   ASP    82      13.778  33.798  -9.488  1.00 19.73           N  
ATOM    663  CA  ASP    82      14.606  32.608  -9.372  1.00 19.95           C  
ATOM    664  C   ASP    82      16.054  32.900  -9.727  1.00 18.97           C  
ATOM    665  O   ASP    82      17.030  32.463  -9.076  1.00 21.22           O  
ATOM    666  CB  ASP    82      14.118  31.457 -10.287  1.00 20.87           C  
ATOM    667  CG  ASP    82      14.964  30.212 -10.094  1.00 22.65           C  
ATOM    668  OD1 ASP    82      14.829  29.519  -9.097  1.00 36.99           O  
ATOM    669  OD2 ASP    82      15.630  29.769 -11.032  1.00 25.31           O  
ATOM    670  N   GLN    83      16.308  33.688 -10.760  1.00 18.54           N  
ATOM    671  CA  GLN    83      17.656  34.048 -11.128  1.00 18.05           C  
ATOM    672  C   GLN    83      18.343  34.906 -10.047  1.00 17.99           C  
ATOM    673  O   GLN    83      19.527  34.623  -9.864  1.00 20.66           O  
ATOM    674  CB  GLN    83      17.664  34.871 -12.451  1.00 17.17           C  
ATOM    675  CG  GLN    83      17.270  34.100 -13.697  1.00 18.98           C  
ATOM    676  CD  GLN    83      18.374  33.198 -14.177  1.00 17.57           C  
ATOM    677  OE1 GLN    83      19.401  33.591 -14.790  1.00 23.51           O  
ATOM    678  NE2 GLN    83      18.254  31.911 -14.008  1.00 20.43           N  
ATOM    679  N   ALA    84      17.595  35.803  -9.440  1.00 17.42           N  
ATOM    680  CA  ALA    84      18.140  36.649  -8.395  1.00 18.00           C  
ATOM    681  C   ALA    84      18.367  35.840  -7.133  1.00 19.11           C  
ATOM    682  O   ALA    84      19.432  35.841  -6.526  1.00 20.81           O  
ATOM    683  CB  ALA    84      17.211  37.817  -8.166  1.00 18.73           C  
ATOM    684  N   ALA    85      17.394  35.051  -6.670  1.00 20.46           N  
ATOM    685  CA  ALA    85      17.425  34.313  -5.431  1.00 21.46           C  
ATOM    686  C   ALA    85      18.537  33.269  -5.488  1.00 20.73           C  
ATOM    687  O   ALA    85      19.160  32.942  -4.473  1.00 25.47           O  
ATOM    688  CB  ALA    85      16.104  33.601  -5.134  1.00 23.85           C  
ATOM    689  N   GLY    86      18.793  32.638  -6.631  1.00 21.84           N  
ATOM    690  CA  GLY    86      19.775  31.579  -6.793  1.00 23.31           C  
ATOM    691  C   GLY    86      21.115  32.094  -7.223  1.00 22.98           C  
ATOM    692  O   GLY    86      22.032  31.313  -7.467  1.00 26.54           O  
ATOM    693  N   ASN    87      21.273  33.405  -7.412  1.00 21.96           N  
ATOM    694  CA  ASN    87      22.571  33.950  -7.842  1.00 23.90           C  
ATOM    695  C   ASN    87      22.941  33.334  -9.175  1.00 24.62           C  
ATOM    696  O   ASN    87      24.066  32.901  -9.424  1.00 28.91           O  
ATOM    697  CB  ASN    87      23.617  33.836  -6.738  1.00 28.86           C  
ATOM    698  CG  ASN    87      23.395  34.823  -5.598  1.00 30.78           C  
ATOM    699  OD1 ASN    87      22.750  35.872  -5.674  1.00 40.43           O  
ATOM    700  ND2 ASN    87      23.934  34.475  -4.442  1.00 41.60           N  
ATOM    701  N   LYS    88      22.008  33.292 -10.122  1.00 20.48           N  
ATOM    702  CA  LYS    88      22.236  32.568 -11.373  1.00 21.88           C  
ATOM    703  C   LYS    88      22.695  33.375 -12.549  1.00 23.05           C  
ATOM    704  O   LYS    88      23.097  32.789 -13.571  1.00 29.12           O  
ATOM    705  CB  LYS    88      20.988  31.747 -11.762  1.00 22.71           C  
ATOM    706  CG  LYS    88      20.535  30.808 -10.661  1.00 26.39           C  
ATOM    707  CD  LYS    88      19.317  30.017 -11.117  1.00 27.53           C  
ATOM    708  CE  LYS    88      18.707  29.213  -9.974  1.00 32.89           C  
ATOM    709  NZ  LYS    88      17.790  28.153 -10.516  1.00 32.83           N  
ATOM    710  N   TRP    89      22.658  34.693 -12.485  1.00 25.99           N  
ATOM    711  CA  TRP    89      23.130  35.424 -13.657  1.00 30.43           C  
ATOM    712  C   TRP    89      24.633  35.271 -13.901  1.00 36.34           C  
ATOM    713  O   TRP    89      25.099  35.520 -15.036  1.00 52.40           O  
ATOM    714  CB  TRP    89      22.837  36.905 -13.404  1.00 28.07           C  
ATOM    715  CG  TRP    89      21.404  37.252 -13.343  1.00 24.41           C  
ATOM    716  CD1 TRP    89      20.728  37.766 -12.278  1.00 25.10           C  
ATOM    717  CD2 TRP    89      20.432  37.161 -14.381  1.00 27.42           C  
ATOM    718  NE1 TRP    89      19.429  37.997 -12.571  1.00 26.44           N  
ATOM    719  CE2 TRP    89      19.204  37.630 -13.862  1.00 28.77           C  
ATOM    720  CE3 TRP    89      20.504  36.706 -15.712  1.00 31.81           C  
ATOM    721  CZ2 TRP    89      18.009  37.689 -14.616  1.00 34.68           C  
ATOM    722  CZ3 TRP    89      19.334  36.768 -16.425  1.00 34.64           C  
ATOM    723  CH2 TRP    89      18.142  37.233 -15.887  1.00 36.18           C  
ATOM    724  OXT TRP    89      25.366  35.029 -12.901  1.00 49.79           O  
TER     725      TRP    89                                                      
HETATM  726 FE   HEM    91      13.258  46.586 -16.683  1.00 11.60          FE  
HETATM  727  CHA HEM    91      14.112  48.106 -13.777  1.00 14.28           C  
HETATM  728  CHB HEM    91      12.342  43.796 -14.983  1.00 12.57           C  
HETATM  729  CHC HEM    91      12.062  45.238 -19.575  1.00 11.79           C  
HETATM  730  CHD HEM    91      14.539  49.179 -18.442  1.00 12.27           C  
HETATM  731  N A HEM    91      13.269  46.034 -14.737  1.00 12.16           N  
HETATM  732  C1A HEM    91      13.692  46.802 -13.682  1.00 12.92           C  
HETATM  733  C2A HEM    91      13.546  46.034 -12.457  1.00 14.28           C  
HETATM  734  C3A HEM    91      13.036  44.844 -12.789  1.00 14.76           C  
HETATM  735  C4A HEM    91      12.842  44.823 -14.225  1.00 11.97           C  
HETATM  736  CMA HEM    91      12.674  43.689 -11.857  1.00 17.36           C  
HETATM  737  CAA HEM    91      14.032  46.507 -11.078  1.00 15.96           C  
HETATM  738  CBA HEM    91      15.559  46.477 -10.964  1.00 16.13           C  
HETATM  739  CGA HEM    91      16.109  47.300  -9.807  1.00 18.46           C  
HETATM  740  O1A HEM    91      17.303  47.008  -9.454  1.00 18.75           O  
HETATM  741  O2A HEM    91      15.414  48.196  -9.329  1.00 26.72           O  
HETATM  742  N B HEM    91      12.373  44.867 -17.193  1.00 10.67           N  
HETATM  743  C1B HEM    91      12.092  43.817 -16.329  1.00 11.36           C  
HETATM  744  C2B HEM    91      11.458  42.747 -17.065  1.00 11.49           C  
HETATM  745  C3B HEM    91      11.319  43.178 -18.339  1.00 11.43           C  
HETATM  746  C4B HEM    91      11.877  44.496 -18.421  1.00 11.15           C  
HETATM  747  CMB HEM    91      11.118  41.373 -16.491  1.00 14.22           C  
HETATM  748  CAB HEM    91      10.705  42.450 -19.528  1.00 12.01           C  
HETATM  749  CBB HEM    91       9.207  42.154 -19.340  1.00 14.28           C  
HETATM  750  N C HEM    91      13.301  47.115 -18.610  1.00 10.99           N  
HETATM  751  C1C HEM    91      12.790  46.403 -19.667  1.00 11.28           C  
HETATM  752  C2C HEM    91      13.156  47.044 -20.932  1.00 11.86           C  
HETATM  753  C3C HEM    91      13.920  48.097 -20.624  1.00 11.59           C  
HETATM  754  C4C HEM    91      13.987  48.168 -19.179  1.00 11.69           C  
HETATM  755  CMC HEM    91      12.755  46.497 -22.320  1.00 14.98           C  
HETATM  756  CAC HEM    91      14.747  49.003 -21.545  1.00 13.26           C  
HETATM  757  CBC HEM    91      13.915  49.773 -22.585  1.00 15.50           C  
HETATM  758  N D HEM    91      14.091  48.302 -16.212  1.00 12.98           N  
HETATM  759  C1D HEM    91      14.530  49.300 -17.081  1.00 12.84           C  
HETATM  760  C2D HEM    91      14.947  50.460 -16.332  1.00 13.95           C  
HETATM  761  C3D HEM    91      14.756  50.189 -15.024  1.00 14.44           C  
HETATM  762  C4D HEM    91      14.305  48.819 -14.945  1.00 13.72           C  
HETATM  763  CMD HEM    91      15.368  51.794 -16.965  1.00 18.02           C  
HETATM  764  CAD HEM    91      14.943  51.157 -13.855  1.00 16.81           C  
HETATM  765  CBD HEM    91      13.661  51.997 -13.611  1.00 22.11           C  
HETATM  766  CGD HEM    91      13.865  53.009 -12.515  1.00 24.42           C  
HETATM  767  O1D HEM    91      14.074  52.625 -11.351  1.00 30.34           O  
HETATM  768  O2D HEM    91      13.718  54.197 -12.862  1.00 28.72           O  
HETATM  769  O   HOH   101      22.183  44.157 -19.092  1.00 19.34           O  
HETATM  770  O   HOH   102      20.968  43.789 -22.740  1.00 16.03           O  
HETATM  771  O   HOH   103      21.086  38.079  -7.044  1.00 22.36           O  
HETATM  772  O   HOH   104      18.202  34.887 -20.169  1.00 27.62           O  
HETATM  773  O   HOH   105       7.179  47.836  -7.719  1.00 30.79           O  
HETATM  774  O   HOH   106       2.928  32.343 -23.826  1.00 25.89           O  
HETATM  775  O   HOH   107      13.531  50.091 -10.549  1.00 24.20           O  
HETATM  776  O   HOH   108       6.846  37.099 -25.495  1.00 36.27           O  
HETATM  777  O   HOH   109      14.644  41.280 -25.828  1.00 25.81           O  
HETATM  778  O   HOH   110      14.076  55.247 -15.779  1.00 28.65           O  
HETATM  779  O   HOH   111      24.975  42.013 -18.173  1.00 32.97           O  
HETATM  780  O   HOH   112      15.846  30.399 -13.645  1.00 29.47           O  
HETATM  781  O   HOH   113      11.013  50.994  -8.727  1.00 29.93           O  
HETATM  782  O   HOH   114      20.218  36.995 -20.355  1.00 26.44           O  
HETATM  783  O   HOH   115      23.641  47.364  -8.412  1.00 32.13           O  
HETATM  784  O   HOH   116      11.481  44.941 -25.649  1.00 31.19           O  
HETATM  785  O   HOH   117      16.988  38.472 -11.638  1.00 24.15           O  
HETATM  786  O   HOH   118      10.592  31.782  -8.787  1.00 32.78           O  
HETATM  787  O   HOH   119      20.902  41.603   0.559  1.00 31.56           O  
HETATM  788  O   HOH   120      -1.732  41.893 -19.438  1.00 29.50           O  
HETATM  789  O   HOH   121       9.157  43.051 -27.172  1.00 39.28           O  
HETATM  790  O   HOH   122      24.927  46.894 -19.385  1.00 34.87           O  
HETATM  791  O   HOH   123      18.070  38.897   1.353  1.00 37.67           O  
HETATM  792  O   HOH   124      23.904  44.703  -9.019  1.00 29.05           O  
HETATM  793  O   HOH   125       1.274  42.935  -8.233  1.00 34.15           O  
HETATM  794  O   HOH   126      19.029  37.053 -22.896  1.00 37.02           O  
HETATM  795  O   HOH   127       7.181  49.860  -9.460  1.00 33.93           O  
HETATM  796  O   HOH   128      11.134  37.424  -1.239  1.00 37.76           O  
HETATM  797  O   HOH   129      24.218  46.770 -15.714  1.00 34.90           O  
HETATM  798  O   HOH   130       8.896  46.709   0.849  1.00 41.67           O  
HETATM  799  O   HOH   131       7.313  53.754 -18.778  1.00 37.56           O  
HETATM  800  O   HOH   132      19.509  48.774 -24.149  1.00 43.38           O  
HETATM  801  O   HOH   133      10.302  47.994 -25.729  1.00 35.81           O  
HETATM  802  O   HOH   134      -4.209  42.283 -24.744  1.00 46.50           O  
HETATM  803  O   HOH   135       0.486  37.473 -25.381  1.00 41.66           O  
HETATM  804  O   HOH   136      15.116  51.358  -0.628  1.00 42.22           O  
HETATM  805  O   HOH   137      13.297  52.141  -3.836  1.00 42.22           O  
HETATM  806  O   HOH   138      12.830  43.260  -0.097  1.00 44.98           O  
HETATM  807  O   HOH   139      14.707  33.747  -2.228  1.00 39.96           O  
HETATM  808  O   HOH   140       3.176  31.212 -15.711  1.00 31.29           O  
HETATM  809  O   HOH   141      13.039  48.891  -2.144  1.00 43.53           O  
HETATM  810  O   HOH   142       7.334  56.385 -14.560  1.00 50.68           O  
HETATM  811  O   HOH   143       9.101  25.169 -16.538  1.00 48.14           O  
HETATM  812  O   HOH   144       3.056  39.311 -26.618  1.00 44.68           O  
HETATM  813  O   HOH   145       0.757  31.628 -13.709  1.00 49.29           O  
HETATM  814  O   HOH   146       5.061  52.178 -21.673  1.00 38.46           O  
HETATM  815  O   HOH   147       4.881  34.287 -10.630  1.00 41.14           O  
HETATM  816  O   HOH   148      18.739  31.430 -17.768  1.00 39.34           O  
HETATM  817  O   HOH   149       8.441  32.125  -7.269  1.00 53.52           O  
HETATM  818  O   HOH   150      25.662  37.805 -16.271  1.00 50.22           O  
HETATM  819  O   HOH   151      -0.218  49.683 -17.140  1.00 48.35           O  
HETATM  820  O   HOH   152      23.758  37.959  -4.530  1.00 50.10           O  
HETATM  821  O   HOH   153      20.770  55.056  -7.855  1.00 46.35           O  
HETATM  822  O   HOH   154      21.755  28.530  -7.154  1.00 50.24           O  
HETATM  823  O   HOH   155       2.422  28.880 -17.160  1.00 42.46           O  
HETATM  824  O   HOH   156      25.563  42.794 -15.618  1.00 56.06           O  
HETATM  825  O   HOH   157      14.629  29.821 -23.646  1.00 42.77           O  
HETATM  826  O   HOH   158      23.917  36.552  -9.932  1.00 45.98           O  
HETATM  827  O   HOH   159      13.265  42.805 -27.805  1.00 58.24           O  
HETATM  828  O   HOH   160      19.816  45.175  -0.316  1.00 44.60           O  
HETATM  829  O   HOH   161      17.920  47.165 -26.835  1.00 49.66           O  
HETATM  830  O   HOH   162       7.381  57.369 -17.715  1.00 53.53           O  
HETATM  831  O   HOH   163      14.710  58.829 -19.091  1.00 51.58           O  
HETATM  832  O   HOH   164      15.801  28.481 -15.380  1.00 51.11           O  
HETATM  833  O   HOH   165       5.139  53.818 -16.883  1.00 44.50           O  
HETATM  834  O   HOH   166       5.455  50.735 -11.450  1.00 41.98           O  
HETATM  835  O   HOH   167       0.354  38.190 -13.819  1.00 44.09           O  
HETATM  836  O   HOH   168      25.295  49.680  -7.712  1.00 41.91           O  
HETATM  837  O   HOH   169      -1.527  46.428 -13.006  1.00 58.57           O  
HETATM  838  O   HOH   170      23.185  35.529 -17.932  1.00 52.45           O  
HETATM  839  O   HOH   171      24.368  41.942 -13.062  1.00 61.91           O  
HETATM  840  O   HOH   172      22.914  54.030 -12.057  1.00 45.71           O  
HETATM  841  O   HOH   173      15.018  31.791 -24.871  1.00 48.32           O  
HETATM  842  O   HOH   174      14.799  49.030   1.023  1.00 58.70           O  
HETATM  843  O   HOH   175      14.130  26.911  -8.896  1.00 47.72           O  
HETATM  844  O   HOH   176       9.789  23.031 -15.497  1.00 60.35           O  
HETATM  845  O   HOH   177      11.666  40.855   0.541  1.00 47.16           O  
HETATM  846  O   HOH   178       2.463  35.989  -9.988  1.00 54.08           O  
HETATM  847  O   HOH   179      14.109  28.379 -17.488  1.00 40.69           O  
HETATM  848  O   HOH   180       4.742  53.795 -13.049  1.00 44.88           O  
HETATM  849  O   HOH   181       1.408  52.423 -16.779  1.00 52.84           O  
HETATM  850  O   HOH   182      26.305  32.926 -11.652  1.00 55.35           O  
HETATM  851  O   HOH   183      25.767  44.663 -13.948  1.00 43.01           O  
HETATM  852  O   HOH   184      19.645  29.738 -15.018  1.00 42.23           O  
HETATM  853  O   HOH   185      -4.362  40.058 -21.382  1.00 54.83           O  
HETATM  854  O   HOH   186      22.239  36.264 -22.070  1.00 49.24           O  
HETATM  855  O   HOH   187       3.696  52.991 -10.744  1.00 51.16           O  
HETATM  856  O   HOH   188      -0.600  40.293 -14.763  1.00 42.77           O  
HETATM  857  O   HOH   189      10.563  39.305 -29.518  1.00 54.11           O  
HETATM  858  O   HOH   190      20.278  57.538 -12.329  1.00 53.64           O  
HETATM  859  O   HOH   191      20.996  56.668 -17.006  1.00 55.56           O  
HETATM  860  O   HOH   201       0.703  48.728 -21.548  0.50 38.10           O  
HETATM  861  O   HOH   202      13.039  40.203 -28.622  0.50 42.70           O  
HETATM  862  O   HOH   203       9.736  41.614 -28.955  0.50 49.88           O  
HETATM  863  O   HOH   204       0.112  52.415 -14.885  0.50 39.26           O  
HETATM  864  O   HOH   205      20.361  31.030  -3.079  0.50 39.78           O  
HETATM  865  O   HOH   206       3.894  31.499 -11.207  0.50 43.70           O  
HETATM  866  O   HOH   207      -5.021  44.090 -18.754  0.50 37.84           O  
HETATM  867  O   HOH   208      13.869  58.157 -15.555  0.50 45.14           O  
HETATM  868  O   HOH   209      -5.154  42.378 -21.520  0.50 44.65           O  
HETATM  869  O   HOH   210      16.806  58.068 -12.970  0.50 47.36           O  
HETATM  870  O   HOH   211      16.438  27.253  -8.200  0.50 38.83           O  
HETATM  871  O   HOH   212      11.337  57.065 -12.787  0.50 38.91           O  
HETATM  872  O   HOH   213       8.800  57.400 -11.923  0.50 36.59           O  
HETATM  873  O   HOH   214      -0.941  46.463  -8.115  0.50 39.01           O  
HETATM  874  O   HOH   215      -1.783  42.398 -10.830  0.50 41.96           O  
HETATM  875  O   HOH   216      11.286  29.037  -8.472  0.50 31.00           O  
HETATM  876  O   HOH   217      -0.123  44.328 -10.121  0.50 33.88           O  
HETATM  877  O   HOH   218       6.148  23.425 -17.971  0.50 58.38           O  
HETATM  878  O   HOH   219      17.898  42.180   2.877  0.50 35.79           O  
HETATM  879  O   HOH   220      18.215  45.258   1.608  0.50 46.60           O  
HETATM  880  O   HOH   221      13.814  60.738 -16.921  0.50 49.56           O  
HETATM  881  O   HOH   222       9.760  25.209 -14.002  0.50 61.60           O  
HETATM  882  O   HOH   223      28.299  45.844 -16.389  0.50 38.67           O  
HETATM  883  O   HOH   224       5.484  40.771 -26.768  0.50 38.96           O  
HETATM  884  O   HOH   225      -3.667  47.005 -21.842  0.50 44.35           O  
HETATM  885  O   HOH   226      13.922  46.546   0.733  0.50 38.16           O  
HETATM  886  O   HOH   227      -1.713  47.963 -15.116  0.50 38.33           O  
HETATM  887  O   HOH   228      19.972  29.296 -24.983  0.50 53.43           O  
HETATM  888  O   HOH   229      26.828  34.190 -17.850  0.50 43.77           O  
HETATM  889  O   HOH   230      18.429  26.430 -14.038  0.50 55.01           O  
HETATM  890  O   HOH   231       9.556  58.094 -17.888  0.50 49.90           O  
HETATM  891  O   HOH   232       2.992  25.169 -18.018  0.50 48.74           O  
HETATM  892  O   HOH   233       6.656  20.727 -12.391  0.50 44.05           O  
HETATM  893  O   HOH   234      22.996  56.215 -14.544  0.50 35.28           O  
HETATM  894  O   HOH   235       7.139  40.859 -30.845  0.50 44.31           O  
HETATM  895  O   HOH   236      -5.993  47.063 -17.954  0.50 44.49           O  
HETATM  896  O   HOH   237       2.187  37.646  -7.815  0.50 43.39           O  
HETATM  897  O   HOH   238      16.999  24.435 -11.419  0.50 52.87           O  
HETATM  898  O   HOH   239      15.162  56.298 -11.666  0.50 39.91           O  
HETATM  899  O   HOH   240      23.598  53.482 -20.333  0.50 52.11           O  
HETATM  900  O   HOH   241      17.589  50.245   3.831  0.50 51.58           O  
HETATM  901  O   HOH   242      21.661  55.194 -10.522  0.50 35.71           O  
HETATM  902  O   HOH   243      23.088  35.220 -20.208  0.50 44.93           O  
HETATM  903  O   HOH   244      11.707  59.540 -17.478  0.50 41.78           O  
HETATM  904  O   HOH   245      -4.056  35.016 -23.160  0.50 38.16           O  
HETATM  905  O   HOH   246      21.552  32.495 -16.337  0.50 35.69           O  
HETATM  906  O   HOH   247      13.222  25.233 -16.583  0.50 42.06           O  
HETATM  907  O   HOH   248      16.358  56.794 -17.207  0.50 37.87           O  
HETATM  908  O   HOH   249      20.251  32.997 -20.530  0.50 37.10           O  
HETATM  909  O   HOH   250      19.896  33.303 -23.222  0.50 35.26           O  
HETATM  910  O   HOH   251      20.435  56.251 -19.782  0.50 43.40           O  
HETATM  911  O   HOH   252       7.498  38.677 -28.514  0.50 47.04           O  
HETATM  912  O   HOH   253      30.823  47.687 -15.764  0.50 52.97           O  
HETATM  913  O   HOH   254       3.611  27.608  -4.618  0.50 43.47           O  
HETATM  914  O   HOH   255      -2.227  40.414 -22.991  0.50 41.66           O  
HETATM  915  O   HOH   256      25.234  37.500  -7.434  0.50 37.36           O  
HETATM  916  O   HOH   257       6.002  32.772  -8.592  0.50 40.26           O  
HETATM  917  O   HOH   258      16.833  44.595 -28.565  0.50 31.62           O  
HETATM  918  O   HOH   259      24.270  29.807  -8.514  0.50 42.91           O  
HETATM  919  O   HOH   301      15.281  46.955 -28.295  0.33 37.35           O  
CONECT  124  123  748                                                           
CONECT  140  139  756                                                           
CONECT  150  148  149  726                                                      
CONECT  492  491  493  726                                                      
CONECT  726  150  492  731  742                                                 
CONECT  726  750  758                                                           
CONECT  727  732  762                                                           
CONECT  728  735  743                                                           
CONECT  729  746  751                                                           
CONECT  730  754  759                                                           
CONECT  731  726  732  735                                                      
CONECT  732  727  731  733                                                      
CONECT  733  732  734  737                                                      
CONECT  734  733  735  736                                                      
CONECT  735  728  731  734                                                      
CONECT  736  734                                                                
CONECT  737  733  738                                                           
CONECT  738  737  739                                                           
CONECT  739  738  740  741                                                      
CONECT  740  739                                                                
CONECT  741  739                                                                
CONECT  742  726  743  746                                                      
CONECT  743  728  742  744                                                      
CONECT  744  743  745  747                                                      
CONECT  745  744  746  748                                                      
CONECT  746  729  742  745                                                      
CONECT  747  744                                                                
CONECT  748  124  745  749                                                      
CONECT  749  748                                                                
CONECT  750  726  751  754                                                      
CONECT  751  729  750  752                                                      
CONECT  752  751  753  755                                                      
CONECT  753  752  754  756                                                      
CONECT  754  730  750  753                                                      
CONECT  755  752                                                                
CONECT  756  140  753  757                                                      
CONECT  757  756                                                                
CONECT  758  726  759  762                                                      
CONECT  759  730  758  760                                                      
CONECT  760  759  761  763                                                      
CONECT  761  760  762  764                                                      
CONECT  762  727  758  761                                                      
CONECT  763  760                                                                
CONECT  764  761  765                                                           
CONECT  765  764  766                                                           
CONECT  766  765  767  768                                                      
CONECT  767  766                                                                
CONECT  768  766                                                                
MASTER      160    0    1    5    0    0    0    6  918    1   48    7          
END                                                                             
