HEADER    ELECTRON TRANSPORT                      01-OCT-97   1AWD              
TITLE     FERREDOXIN [2FE-2S] OXIDIZED FORM FROM CHLORELLA FUSCA                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERREDOXIN;                                                
COMPND   3 CHAIN: NULL                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CHLORELLA FUSCA                                 
KEYWDS    ELECTRON TRANSPORT, EUKARYOTIC, GREEN ALGA, ELECTRON                  
KEYWDS   2 TRANSFER, METALLOPROTEIN                                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.M.SHELDRICK                                                         
REVDAT   1   14-JAN-98 1AWD    0                                                
JRNL        AUTH   M.T.BES,E.PARISINI,L.A.INDA,L.SARAIVA,M.L.PELEATO,           
JRNL        AUTH 2 G.M.SHELDRICK                                                
JRNL        TITL   STRUCTURE AND SEQUENCE OF FERREDOXIN [2FE-2S] FROM           
JRNL        TITL 2 THE GREEN ALGA CHLORELLA FUSCA                               
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                  0353          
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 1.40 ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : SHELXL-97                                            
REMARK   3   AUTHORS     : G.M.SHELDRICK                                        
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 10.0                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.0                            
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   CROSS-VALIDATION METHOD           : FREE R                         
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (NO CUTOFF).                         
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : 0.1466                 
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : 0.1464                 
REMARK   3   FREE R VALUE                  (NO CUTOFF) : 0.1811                 
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.0                    
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : 1202                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : 24070                  
REMARK   3                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).                     
REMARK   3   R VALUE   (WORKING + TEST SET, F>4SIG(F)) : 0.1368                 
REMARK   3   R VALUE          (WORKING SET, F>4SIG(F)) : 0.1364                 
REMARK   3   FREE R VALUE                  (F>4SIG(F)) : 0.1715                 
REMARK   3   FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.0                    
REMARK   3   FREE R VALUE TEST SET COUNT   (F>4SIG(F)) : 1029                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (F>4SIG(F)) : 20412                  
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS      : 708                                           
REMARK   3   NUCLEIC ACID ATOMS : 0                                             
REMARK   3   HETEROGEN ATOMS    : 4                                             
REMARK   3   SOLVENT ATOMS      : 126                                           
REMARK   3                                                                      
REMARK   3  MODEL REFINEMENT.                                                   
REMARK   3   OCCUPANCY SUM OF NON-HYDROGEN ATOMS      : 796.000                 
REMARK   3   OCCUPANCY SUM OF HYDROGEN ATOMS          : 647.000                 
REMARK   3   NUMBER OF DISCRETELY DISORDERED RESIDUES : 3                       
REMARK   3   NUMBER OF LEAST-SQUARES PARAMETERS       : 7544                    
REMARK   3   NUMBER OF RESTRAINTS                     : 8916                    
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.                        
REMARK   3   BOND LENGTHS                         (A) : 0.012                   
REMARK   3   ANGLE DISTANCES                      (A) : 0.030                   
REMARK   3   SIMILAR DISTANCES (NO TARGET VALUES) (A) : NONE                    
REMARK   3   DISTANCES FROM RESTRAINT PLANES      (A) : 0.029                   
REMARK   3   ZERO CHIRAL VOLUMES               (A**3) : 0.066                   
REMARK   3   NON-ZERO CHIRAL VOLUMES           (A**3) : 0.063                   
REMARK   3   ANTI-BUMPING DISTANCE RESTRAINTS     (A) : 0.056                   
REMARK   3   RIGID-BOND ADP COMPONENTS         (A**2) : 0.004                   
REMARK   3   SIMILAR ADP COMPONENTS            (A**2) : 0.054                   
REMARK   3   APPROXIMATELY ISOTROPIC ADPS      (A**2) : 0.098                   
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED: MOEWS & KRETSINGER, J.MOL.BIOL. 91 (1973)             
REMARK   3   201-228                                                            
REMARK   3                                                                      
REMARK   3  STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER                      
REMARK   3   SPECIAL CASE: NO RESTRAINTS ON PROSTHETIC GROUP                    
REMARK   3   (RESIDUE 98)                                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: ANISOTROPIC REFINEMENT REDUCED            
REMARK   3  FREE R (NO CUTOFF) BY 3.2%                                          
REMARK   4                                                                      
REMARK   4 1AWD COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996                        
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 26-APR-1997                        
REMARK 200  TEMPERATURE           (KELVIN) : 103                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : EMBL/DESY, HAMBURG                 
REMARK 200  BEAMLINE                       : X11                                
REMARK 200  X-RAY GENERATOR MODEL          : NONE                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9091                             
REMARK 200  MONOCHROMATOR                  : GE SINGLE CRYSTAL                  
REMARK 200  OPTICS                         : BENT CRYSTAL                       
REMARK 200    MONOCHROMATOR                                                     
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   : 24157                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.40                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 26.5                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NONE                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 14.5                               
REMARK 200  R MERGE                    (I) : 0.047                              
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.0                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.50                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 10.6                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.511                              
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.42                               
REMARK 200                                                                      
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: ANOMALOUS                    
REMARK 200  DISPERSION TO FIND THE TWO FE ATOMS USING 2.3 ANGSTROM              
REMARK 200  CU ROTATING ANODE/MULTIWIRE DATA.  THE REMAINING ATOMS              
REMARK 200  WERE THEN FOUND BY ROTATING A FRAGMENT (FROM ENTRY 1FXL)            
REMARK 200  ABOUT THE IRON ATOMS TO MINIMIZE THE CORRELATION                    
REMARK 200  COEFFICIENT BETWEEN F(OBS) AND F(CALC).                             
REMARK 200 SOFTWARE USED: SHELX AND AMORE                                       
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 58.                                       
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.9                      
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.3 M SODIUM CITRATE, 0.1 M              
REMARK 280 GLYCINE AT PH 8.0                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 3 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z,-X,-Y                                                 
REMARK 290       7555   -Z,-X,Y                                                 
REMARK 290       8555   -Z,X,-Y                                                 
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z,-X                                                 
REMARK 290      11555   Y,-Z,-X                                                 
REMARK 290      12555   -Y,-Z,X                                                 
REMARK 290      13555   Y,X,-Z                                                  
REMARK 290      14555   -Y,-X,-Z                                                
REMARK 290      15555   Y,-X,Z                                                  
REMARK 290      16555   -Y,X,Z                                                  
REMARK 290      17555   X,Z,-Y                                                  
REMARK 290      18555   -X,Z,Y                                                  
REMARK 290      19555   -X,-Z,-Y                                                
REMARK 290      20555   X,-Z,Y                                                  
REMARK 290      21555   Z,Y,-X                                                  
REMARK 290      22555   Z,-Y,X                                                  
REMARK 290      23555   -Z,Y,X                                                  
REMARK 290      24555   -Z,-Y,-X                                                
REMARK 290      25555   1/2+X,1/2+Y,1/2+Z                                       
REMARK 290      26555   1/2-X,1/2-Y,1/2+Z                                       
REMARK 290      27555   1/2-X,1/2+Y,1/2-Z                                       
REMARK 290      28555   1/2+X,1/2-Y,1/2-Z                                       
REMARK 290      29555   1/2+Z,1/2+X,1/2+Y                                       
REMARK 290      30555   1/2+Z,1/2-X,1/2-Y                                       
REMARK 290      31555   1/2-Z,1/2-X,1/2+Y                                       
REMARK 290      32555   1/2-Z,1/2+X,1/2-Y                                       
REMARK 290      33555   1/2+Y,1/2+Z,1/2+X                                       
REMARK 290      34555   1/2-Y,1/2+Z,1/2-X                                       
REMARK 290      35555   1/2+Y,1/2-Z,1/2-X                                       
REMARK 290      36555   1/2-Y,1/2-Z,1/2+X                                       
REMARK 290      37555   1/2+Y,1/2+X,1/2-Z                                       
REMARK 290      38555   1/2-Y,1/2-X,1/2-Z                                       
REMARK 290      39555   1/2+Y,1/2-X,1/2+Z                                       
REMARK 290      40555   1/2-Y,1/2+X,1/2+Z                                       
REMARK 290      41555   1/2+X,1/2+Z,1/2-Y                                       
REMARK 290      42555   1/2-X,1/2+Z,1/2+Y                                       
REMARK 290      43555   1/2-X,1/2-Z,1/2-Y                                       
REMARK 290      44555   1/2+X,1/2-Z,1/2+Y                                       
REMARK 290      45555   1/2+Z,1/2+Y,1/2-X                                       
REMARK 290      46555   1/2+Z,1/2-Y,1/2+X                                       
REMARK 290      47555   1/2-Z,1/2+Y,1/2+X                                       
REMARK 290      48555   1/2-Z,1/2-Y,1/2-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   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  25  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000       56.21767            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000       56.21767            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000       56.21767            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000       56.21767            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000       56.21767            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375      HOH   178  LIES ON A SPECIAL POSITION.                          
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  SOME OF THESE MAY BE ATOMS           
REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL.  ATOMS WITH                
REMARK 500 NON-BLANK ALTERNATE LOCATION INDICATORS ARE NOT INCLUDED             
REMARK 500 IN THE CALCULATIONS.                                                 
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH     178     O    HOH     178    19566     0.01            
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 RESIDUES 37, 42, 45 - 53, 69 - 82, AND 91 - 94 WERE                  
REMARK 999 ASSIGNED ON THE BASIS OF THE XRAY DATA ALONE; THE                    
REMARK 999 REMAINING RESIDUES WERE ALSO SEQUENCED CHEMICALLY.  IN               
REMARK 999 VIEW OF THE HIGH RESOLUTION AND HIGH QUALITY OF THE MAPS             
REMARK 999 THERE SHOULD NOT BE MANY ERRORS IN THE XRAY SEQUENCE.                
REMARK 999                                                                      
REMARK 999 IT APPEARS THAT SER 9 IS PARTIALLY PHOSPHORYLATED, BUT               
REMARK 999 THE PHOSPHATE WAS NOT INCLUDED IN THE MODEL.                         
DBREF  1AWD      1    94  PDB    1AWD     1AWD             1     94             
SEQRES   1     94  TYR LYS VAL THR LEU LYS THR PRO SER GLY GLU GLU THR          
SEQRES   2     94  ILE GLU CYS PRO GLU ASP THR TYR ILE LEU ASP ALA ALA          
SEQRES   3     94  GLU GLU ALA GLY LEU ASP LEU PRO TYR SER CYS ARG ALA          
SEQRES   4     94  GLY ALA CYS SER SER CYS ALA GLY LYS VAL GLU SER GLY          
SEQRES   5     94  GLU VAL ASP GLN SER ASP GLN SER PHE LEU ASP ASP ALA          
SEQRES   6     94  GLN MET GLY LYS GLY PHE VAL LEU THR CYS VAL ALA TYR          
SEQRES   7     94  PRO THR SER ASP VAL THR ILE LEU THR HIS GLN GLU ALA          
SEQRES   8     94  ALA LEU TYR                                                  
HET    FES     98       4                                                       
HETNAM     FES FE2/S2 (INORGANIC) CLUSTER                                       
FORMUL   2  FES    FE2 S2                                                       
FORMUL   3  HOH   *126(H2 O1)                                                   
HELIX    1   1 ILE     22  GLU     28  1                                   7    
HELIX    2   2 ASP     64  GLY     68  1                                   5    
HELIX    3   3 THR     74  VAL     76  5                                   3    
HELIX    4   4 GLU     90  ALA     92  5                                   3    
SHEET    1   A 5 GLY    10  GLU    15  0                                        
SHEET    2   A 5 LYS     2  THR     7 -1  N  THR     7   O  GLY    10           
SHEET    3   A 5 VAL    83  LEU    86  1  N  VAL    83   O  THR     4           
SHEET    4   A 5 ALA    46  SER    51 -1  N  SER    51   O  THR    84           
SHEET    5   A 5 PHE    71  LEU    73 -1  N  VAL    72   O  GLY    47           
LINK        FE1  FES    98                 SG  CYS    37                        
LINK        FE1  FES    98                 SG  CYS    42                        
LINK        FE2  FES    98                 SG  CYS    45                        
LINK        FE2  FES    98                 SG  CYS    75                        
CRYST1  112.440  112.440  112.440  90.00  90.00  90.00 I 4 3 2      48          
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      0.008894  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008894  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008894        0.00000                         
ATOM      1  N   TYR     1       9.546  65.697  51.636  1.00 22.99           N  
ATOM      2  CA  TYR     1      10.603  66.735  51.705  1.00 19.99           C  
ATOM      3  C   TYR     1      10.214  67.921  50.834  1.00 19.81           C  
ATOM      4  O   TYR     1       9.388  67.770  49.922  1.00 21.12           O  
ATOM      5  CB  TYR     1      11.968  66.219  51.270  1.00 20.51           C  
ATOM      6  CG  TYR     1      12.545  65.150  52.185  1.00 22.65           C  
ATOM      7  CD1 TYR     1      12.817  65.544  53.517  1.00 25.58           C  
ATOM      8  CD2 TYR     1      12.802  63.855  51.803  1.00 23.32           C  
ATOM      9  CE1 TYR     1      13.348  64.616  54.414  1.00 25.52           C  
ATOM     10  CE2 TYR     1      13.339  62.928  52.704  1.00 25.82           C  
ATOM     11  CZ  TYR     1      13.602  63.325  53.996  1.00 29.61           C  
ATOM     12  OH  TYR     1      14.118  62.435  54.916  1.00 32.76           O  
ATOM     13  N   LYS     2      10.817  69.072  51.099  1.00 19.04           N  
ATOM     14  CA  LYS     2      10.569  70.251  50.290  1.00 17.90           C  
ATOM     15  C   LYS     2      11.571  70.301  49.170  1.00 17.00           C  
ATOM     16  O   LYS     2      12.768  70.207  49.401  1.00 17.74           O  
ATOM     17  CB  LYS     2      10.708  71.463  51.207  1.00 21.00           C  
ATOM     18  CG  LYS     2      10.683  72.800  50.526  1.00 23.94           C  
ATOM     19  CD  LYS     2      10.826  73.936  51.534  1.00 25.65           C  
ATOM     20  CE  LYS     2      12.282  74.227  51.902  1.00 28.65           C  
ATOM     21  NZ  LYS     2      12.386  75.088  53.149  1.00 31.48           N  
ATOM     22  N   VAL     3      11.121  70.417  47.952  1.00 18.22           N  
ATOM     23  CA  VAL     3      11.997  70.505  46.782  1.00 17.60           C  
ATOM     24  C   VAL     3      11.824  71.909  46.184  1.00 17.68           C  
ATOM     25  O   VAL     3      10.712  72.292  45.788  1.00 19.75           O  
ATOM     26  CB  VAL     3      11.705  69.429  45.745  1.00 18.29           C  
ATOM     27  CG1 VAL     3      12.613  69.567  44.502  1.00 21.99           C  
ATOM     28  CG2 VAL     3      11.840  68.051  46.388  1.00 19.42           C  
ATOM     29  N   THR     4      12.940  72.621  46.138  1.00 17.81           N  
ATOM     30  CA  THR     4      13.023  73.952  45.551  1.00 18.03           C  
ATOM     31  C   THR     4      13.586  73.775  44.139  1.00 18.13           C  
ATOM     32  O   THR     4      14.730  73.331  43.984  1.00 20.47           O  
ATOM     33  CB  THR     4      13.920  74.848  46.385  1.00 18.63           C  
ATOM     34  OG1 THR     4      13.385  74.927  47.718  1.00 21.29           O  
ATOM     35  CG2 THR     4      13.994  76.255  45.792  1.00 22.01           C  
ATOM     36  N   LEU     5      12.768  74.103  43.137  1.00 19.37           N  
ATOM     37  CA  LEU     5      13.173  73.979  41.732  1.00 17.74           C  
ATOM     38  C   LEU     5      13.421  75.353  41.171  1.00 20.49           C  
ATOM     39  O   LEU     5      12.552  76.228  41.165  1.00 23.52           O  
ATOM     40  CB  LEU     5      12.059  73.272  40.995  1.00 19.30           C  
ATOM     41  CG  LEU     5      11.729  71.857  41.470  1.00 18.74           C  
ATOM     42  CD1 LEU     5      10.361  71.414  40.949  1.00 22.97           C  
ATOM     43  CD2 LEU     5      12.765  70.846  41.066  1.00 20.83           C  
ATOM     44  N   LYS     6      14.644  75.564  40.673  1.00 21.62           N  
ATOM     45  CA  LYS     6      15.007  76.823  40.030  1.00 21.40           C  
ATOM     46  C   LYS     6      14.892  76.578  38.528  1.00 22.36           C  
ATOM     47  O   LYS     6      15.726  75.929  37.913  1.00 22.05           O  
ATOM     48  CB  LYS     6      16.406  77.249  40.413  1.00 23.69           C  
ATOM     49  CG  LYS     6      16.541  77.478  41.930  1.00 27.79           C  
ATOM     50  CD  LYS     6      18.000  77.702  42.254  1.00 33.98           C  
ATOM     51  CE  LYS     6      18.295  78.700  43.331  1.00 41.08           C  
ATOM     52  NZ  LYS     6      19.771  79.029  43.458  1.00 47.92           N  
ATOM     53  N   THR     7      13.796  77.113  37.998  1.00 23.65           N  
ATOM     54  CA  THR     7      13.420  76.830  36.621  1.00 23.15           C  
ATOM     55  C   THR     7      13.538  78.094  35.782  1.00 23.50           C  
ATOM     56  O   THR     7      13.651  79.182  36.337  1.00 27.26           O  
ATOM     57  CB  THR     7      11.967  76.367  36.534  1.00 25.40           C  
ATOM     58  OG1 THR     7      11.111  77.525  36.642  1.00 29.27           O  
ATOM     59  CG2 THR     7      11.619  75.408  37.664  1.00 25.36           C  
ATOM     60  N   PRO     8      13.520  77.987  34.484  1.00 24.69           N  
ATOM     61  CA  PRO     8      13.678  79.191  33.663  1.00 26.74           C  
ATOM     62  C   PRO     8      12.683  80.297  33.959  1.00 29.04           C  
ATOM     63  O   PRO     8      13.047  81.462  33.876  1.00 32.44           O  
ATOM     64  CB  PRO     8      13.441  78.678  32.225  1.00 28.39           C  
ATOM     65  CG  PRO     8      13.908  77.248  32.318  1.00 28.12           C  
ATOM     66  CD  PRO     8      13.429  76.772  33.639  1.00 25.24           C  
ATOM     67  N   SER     9      11.454  79.945  34.235  1.00 32.27           N  
ATOM     68  CA  SER     9      10.338  80.820  34.530  1.00 37.48           C  
ATOM     69  C   SER     9      10.266  81.233  35.985  1.00 39.75           C  
ATOM     70  O   SER     9       9.331  81.965  36.316  1.00 40.27           O  
ATOM     71  CB  SER     9       9.001  80.138  34.221  1.00 39.76           C  
ATOM     72  OG  SER     9       8.961  78.861  34.817  1.00 56.99           O  
ATOM     73  N   GLY    10      11.176  80.805  36.845  1.00 37.92           N  
ATOM     74  CA  GLY    10      11.208  81.182  38.242  1.00 37.02           C  
ATOM     75  C   GLY    10      11.437  79.999  39.165  1.00 31.91           C  
ATOM     76  O   GLY    10      11.463  78.825  38.823  1.00 25.86           O  
ATOM     77  N   GLU    11      11.589  80.366  40.448  1.00 30.32           N  
ATOM     78  CA  GLU    11      11.622  79.333  41.494  1.00 26.63           C  
ATOM     79  C   GLU    11      10.263  78.764  41.849  1.00 26.13           C  
ATOM     80  O   GLU    11       9.251  79.479  41.991  1.00 30.92           O  
ATOM     81  CB  GLU    11      12.248  80.008  42.718  1.00 31.43           C  
ATOM     82  CG  GLU    11      12.743  78.952  43.680  1.00 34.74           C  
ATOM     83  CD  GLU    11      13.396  79.687  44.843  1.00 41.92           C  
ATOM     84  OE1 GLU    11      12.671  80.022  45.795  1.00 49.36           O  
ATOM     85  OE2 GLU    11      14.611  79.913  44.705  1.00 51.69           O  
ATOM     86  N   GLU    12      10.178  77.450  41.992  1.00 23.81           N  
ATOM     87  CA  GLU    12       8.971  76.766  42.447  1.00 24.31           C  
ATOM     88  C   GLU    12       9.261  75.934  43.669  1.00 22.50           C  
ATOM     89  O   GLU    12      10.333  75.333  43.684  1.00 28.72           O  
ATOM     90  CB  GLU    12       8.462  75.779  41.390  1.00 24.48           C  
ATOM     91  CG  GLU    12       8.302  76.483  40.048  1.00 27.76           C  
ATOM     92  CD  GLU    12       7.081  77.356  39.935  1.00 30.76           C  
ATOM     93  OE1 GLU    12       6.326  77.414  40.908  1.00 32.86           O  
ATOM     94  OE2 GLU    12       6.872  77.993  38.857  1.00 39.39           O  
ATOM     95  N   THR    13       8.394  75.839  44.641  1.00 24.05           N  
ATOM     96  CA  THR    13       8.593  74.927  45.765  1.00 22.37           C  
ATOM     97  C   THR    13       7.491  73.887  45.770  1.00 20.87           C  
ATOM     98  O   THR    13       6.329  74.256  45.634  1.00 26.12           O  
ATOM     99  CB  THR    13       8.589  75.708  47.085  1.00 26.55           C  
ATOM    100  OG1 THR    13       9.551  76.740  46.956  1.00 30.62           O  
ATOM    101  CG2 THR    13       8.979  74.809  48.269  1.00 32.46           C  
ATOM    102  N   ILE    14       7.830  72.633  45.871  1.00 19.83           N  
ATOM    103  CA  ILE    14       6.851  71.558  45.916  1.00 20.12           C  
ATOM    104  C   ILE    14       7.200  70.650  47.078  1.00 20.77           C  
ATOM    105  O   ILE    14       8.306  70.710  47.628  1.00 21.14           O  
ATOM    106  CB  ILE    14       6.848  70.739  44.612  1.00 21.08           C  
ATOM    107  CG1 ILE    14       8.144  69.979  44.384  1.00 20.04           C  
ATOM    108  CG2 ILE    14       6.529  71.657  43.420  1.00 23.98           C  
ATOM    109  CD1 ILE    14       8.263  69.127  43.146  1.00 22.72           C  
ATOM    110  N   GLU    15       6.258  69.811  47.488  1.00 19.45           N  
ATOM    111  CA  GLU    15       6.492  68.752  48.454  1.00 18.60           C  
ATOM    112  C   GLU    15       6.604  67.436  47.718  1.00 18.21           C  
ATOM    113  O   GLU    15       5.820  67.133  46.839  1.00 23.35           O  
ATOM    114  CB  GLU    15       5.337  68.741  49.441  1.00 26.36           C  
ATOM    115  CG AGLU    15       5.262  67.499  50.330  0.65 28.20           C  
ATOM    116  CG BGLU    15       5.296  69.952  50.357  0.35 25.74           C  
ATOM    117  CD AGLU    15       6.351  67.500  51.379  0.65 34.05           C  
ATOM    118  CD BGLU    15       6.559  70.505  50.958  0.35 30.18           C  
ATOM    119  OE1AGLU    15       6.672  68.647  51.754  0.65 35.95           O  
ATOM    120  OE1BGLU    15       7.252  69.814  51.729  0.35 36.95           O  
ATOM    121  OE2AGLU    15       6.861  66.447  51.824  0.65 34.60           O  
ATOM    122  OE2BGLU    15       6.942  71.676  50.723  0.35 36.19           O  
ATOM    123  N   CYS    16       7.622  66.661  48.046  1.00 18.71           N  
ATOM    124  CA  CYS    16       7.851  65.385  47.404  1.00 17.30           C  
ATOM    125  C   CYS    16       8.226  64.377  48.480  1.00 19.34           C  
ATOM    126  O   CYS    16       9.295  64.482  49.117  1.00 20.14           O  
ATOM    127  CB  CYS    16       8.999  65.518  46.414  1.00 18.17           C  
ATOM    128  SG  CYS    16       9.344  63.993  45.496  1.00 18.39           S  
ATOM    129  N   PRO    17       7.381  63.362  48.650  1.00 22.38           N  
ATOM    130  CA  PRO    17       7.706  62.265  49.567  1.00 24.93           C  
ATOM    131  C   PRO    17       9.003  61.560  49.168  1.00 24.93           C  
ATOM    132  O   PRO    17       9.433  61.553  48.029  1.00 20.98           O  
ATOM    133  CB  PRO    17       6.549  61.270  49.425  1.00 31.87           C  
ATOM    134  CG  PRO    17       5.414  62.070  48.884  1.00 31.20           C  
ATOM    135  CD  PRO    17       6.061  63.143  48.028  1.00 25.25           C  
ATOM    136  N   GLU    18       9.573  60.894  50.164  1.00 26.87           N  
ATOM    137  CA  GLU    18      10.848  60.208  50.036  1.00 24.12           C  
ATOM    138  C   GLU    18      10.687  59.050  49.053  1.00 25.45           C  
ATOM    139  O   GLU    18      11.718  58.596  48.564  1.00 26.10           O  
ATOM    140  CB  GLU    18      11.430  59.702  51.356  1.00 32.11           C  
ATOM    141  CG AGLU    18      10.928  58.324  51.743  0.55 38.73           C  
ATOM    142  CG BGLU    18      11.140  60.375  52.665  0.45 39.11           C  
ATOM    143  CD AGLU    18       9.528  58.317  52.323  0.55 47.00           C  
ATOM    144  CD BGLU    18      11.550  59.622  53.911  0.45 43.22           C  
ATOM    145  OE1AGLU    18       8.858  59.382  52.324  0.55 53.95           O  
ATOM    146  OE1BGLU    18      12.223  58.580  53.826  0.45 45.60           O  
ATOM    147  OE2AGLU    18       9.118  57.213  52.770  0.55 63.09           O  
ATOM    148  OE2BGLU    18      11.150  60.150  54.974  0.45 54.39           O  
ATOM    149  N   ASP    19       9.452  58.626  48.807  1.00 24.56           N  
ATOM    150  CA  ASP    19       9.256  57.501  47.891  1.00 25.00           C  
ATOM    151  C   ASP    19       8.600  57.897  46.585  1.00 20.84           C  
ATOM    152  O   ASP    19       8.021  57.058  45.890  1.00 21.92           O  
ATOM    153  CB  ASP    19       8.443  56.411  48.586  1.00 30.94           C  
ATOM    154  CG  ASP    19       7.058  56.872  48.958  1.00 35.77           C  
ATOM    155  OD1 ASP    19       6.731  58.069  48.810  1.00 42.56           O  
ATOM    156  OD2 ASP    19       6.256  56.011  49.387  1.00 46.13           O  
ATOM    157  N   THR    20       8.686  59.175  46.237  1.00 19.72           N  
ATOM    158  CA  THR    20       8.179  59.697  45.001  1.00 17.78           C  
ATOM    159  C   THR    20       9.279  60.373  44.198  1.00 16.43           C  
ATOM    160  O   THR    20      10.081  61.097  44.763  1.00 16.91           O  
ATOM    161  CB  THR    20       7.067  60.738  45.315  1.00 19.69           C  
ATOM    162  OG1 THR    20       6.009  60.007  45.939  1.00 23.51           O  
ATOM    163  CG2 THR    20       6.493  61.394  44.101  1.00 19.84           C  
ATOM    164  N   TYR    21       9.336  60.137  42.899  1.00 16.39           N  
ATOM    165  CA  TYR    21      10.328  60.817  42.087  1.00 16.12           C  
ATOM    166  C   TYR    21      10.046  62.319  41.966  1.00 15.66           C  
ATOM    167  O   TYR    21       8.923  62.749  41.909  1.00 16.76           O  
ATOM    168  CB  TYR    21      10.324  60.239  40.691  1.00 15.54           C  
ATOM    169  CG  TYR    21      10.693  58.784  40.531  1.00 15.89           C  
ATOM    170  CD1 TYR    21      11.788  58.222  41.183  1.00 16.86           C  
ATOM    171  CD2 TYR    21       9.981  57.953  39.698  1.00 17.82           C  
ATOM    172  CE1 TYR    21      12.087  56.893  40.978  1.00 18.18           C  
ATOM    173  CE2 TYR    21      10.292  56.630  39.466  1.00 18.10           C  
ATOM    174  CZ  TYR    21      11.362  56.098  40.136  1.00 18.52           C  
ATOM    175  OH  TYR    21      11.697  54.785  39.951  1.00 20.78           O  
ATOM    176  N   ILE    22      11.116  63.111  41.893  1.00 15.40           N  
ATOM    177  CA  ILE    22      10.986  64.545  41.803  1.00 15.23           C  
ATOM    178  C   ILE    22      10.098  64.945  40.624  1.00 15.58           C  
ATOM    179  O   ILE    22       9.219  65.805  40.753  1.00 16.52           O  
ATOM    180  CB  ILE    22      12.377  65.209  41.779  1.00 17.10           C  
ATOM    181  CG1 ILE    22      13.047  65.059  43.145  1.00 24.47           C  
ATOM    182  CG2 ILE    22      12.290  66.669  41.388  1.00 18.68           C  
ATOM    183  CD1 ILE    22      14.484  65.341  43.224  1.00 30.18           C  
ATOM    184  N   LEU    23      10.264  64.353  39.441  1.00 15.42           N  
ATOM    185  CA  LEU    23       9.466  64.712  38.291  1.00 15.58           C  
ATOM    186  C   LEU    23       8.000  64.418  38.522  1.00 16.42           C  
ATOM    187  O   LEU    23       7.162  65.243  38.134  1.00 17.10           O  
ATOM    188  CB  LEU    23       9.989  63.984  37.056  1.00 15.86           C  
ATOM    189  CG  LEU    23       9.268  64.261  35.741  1.00 16.61           C  
ATOM    190  CD1 LEU    23       9.413  65.737  35.404  1.00 19.19           C  
ATOM    191  CD2 LEU    23       9.779  63.355  34.649  1.00 19.24           C  
ATOM    192  N   ASP    24       7.716  63.289  39.137  1.00 16.46           N  
ATOM    193  CA  ASP    24       6.324  62.952  39.393  1.00 16.82           C  
ATOM    194  C   ASP    24       5.703  63.963  40.343  1.00 17.17           C  
ATOM    195  O   ASP    24       4.567  64.409  40.153  1.00 18.71           O  
ATOM    196  CB  ASP    24       6.230  61.553  39.965  1.00 17.45           C  
ATOM    197  CG  ASP    24       6.383  60.454  38.947  1.00 21.88           C  
ATOM    198  OD1 ASP    24       6.033  60.656  37.789  1.00 33.71           O  
ATOM    199  OD2 ASP    24       6.802  59.362  39.326  1.00 29.01           O  
ATOM    200  N   ALA    25       6.407  64.355  41.378  1.00 17.01           N  
ATOM    201  CA  ALA    25       5.894  65.353  42.319  1.00 17.10           C  
ATOM    202  C   ALA    25       5.684  66.691  41.646  1.00 16.53           C  
ATOM    203  O   ALA    25       4.708  67.391  41.931  1.00 18.71           O  
ATOM    204  CB  ALA    25       6.853  65.443  43.480  1.00 18.66           C  
ATOM    205  N   ALA    26       6.604  67.036  40.764  1.00 15.93           N  
ATOM    206  CA  ALA    26       6.457  68.298  40.070  1.00 15.27           C  
ATOM    207  C   ALA    26       5.204  68.320  39.211  1.00 16.27           C  
ATOM    208  O   ALA    26       4.485  69.307  39.138  1.00 18.10           O  
ATOM    209  CB  ALA    26       7.684  68.559  39.202  1.00 16.34           C  
ATOM    210  N   GLU    27       4.945  67.184  38.558  1.00 17.01           N  
ATOM    211  CA  GLU    27       3.786  67.125  37.694  1.00 18.04           C  
ATOM    212  C   GLU    27       2.519  67.206  38.542  1.00 19.56           C  
ATOM    213  O   GLU    27       1.551  67.886  38.152  1.00 21.56           O  
ATOM    214  CB  GLU    27       3.795  65.854  36.850  1.00 19.97           C  
ATOM    215  CG  GLU    27       4.895  65.943  35.793  1.00 21.52           C  
ATOM    216  CD  GLU    27       5.036  64.646  35.013  1.00 25.80           C  
ATOM    217  OE1 GLU    27       4.478  63.605  35.454  1.00 30.97           O  
ATOM    218  OE2 GLU    27       5.708  64.757  33.959  1.00 25.14           O  
ATOM    219  N   GLU    28       2.511  66.510  39.666  1.00 18.48           N  
ATOM    220  CA  GLU    28       1.351  66.570  40.551  1.00 19.61           C  
ATOM    221  C   GLU    28       1.092  67.984  41.056  1.00 18.87           C  
ATOM    222  O   GLU    28      -0.083  68.285  41.373  1.00 24.00           O  
ATOM    223  CB  GLU    28       1.527  65.601  41.730  1.00 23.66           C  
ATOM    224  CG  GLU    28       1.475  64.114  41.325  1.00 37.04           C  
ATOM    225  CD  GLU    28       1.914  63.143  42.395  1.00 43.22           C  
ATOM    226  OE1 GLU    28       2.225  63.545  43.545  1.00 49.34           O  
ATOM    227  OE2 GLU    28       1.953  61.926  42.089  1.00 57.62           O  
ATOM    228  N   ALA    29       2.130  68.824  41.127  1.00 19.39           N  
ATOM    229  CA  ALA    29       2.026  70.200  41.588  1.00 17.89           C  
ATOM    230  C   ALA    29       1.704  71.161  40.435  1.00 18.04           C  
ATOM    231  O   ALA    29       1.684  72.398  40.605  1.00 20.86           O  
ATOM    232  CB  ALA    29       3.305  70.608  42.294  1.00 20.43           C  
ATOM    233  N   GLY    30       1.459  70.619  39.246  1.00 19.62           N  
ATOM    234  CA  GLY    30       1.068  71.445  38.103  1.00 20.01           C  
ATOM    235  C   GLY    30       2.204  72.013  37.290  1.00 21.49           C  
ATOM    236  O   GLY    30       1.963  72.861  36.440  1.00 24.20           O  
ATOM    237  N   LEU    31       3.443  71.556  37.513  1.00 19.25           N  
ATOM    238  CA  LEU    31       4.551  72.041  36.733  1.00 18.13           C  
ATOM    239  C   LEU    31       4.764  71.175  35.504  1.00 19.80           C  
ATOM    240  O   LEU    31       4.345  70.020  35.448  1.00 20.95           O  
ATOM    241  CB  LEU    31       5.841  72.023  37.557  1.00 18.78           C  
ATOM    242  CG  LEU    31       5.798  72.773  38.895  1.00 20.10           C  
ATOM    243  CD1 LEU    31       7.128  72.695  39.633  1.00 25.93           C  
ATOM    244  CD2 LEU    31       5.370  74.214  38.691  1.00 24.86           C  
ATOM    245  N   ASP    32       5.418  71.786  34.520  1.00 20.50           N  
ATOM    246  CA  ASP    32       5.695  71.108  33.254  1.00 19.28           C  
ATOM    247  C   ASP    32       7.189  71.064  33.057  1.00 18.96           C  
ATOM    248  O   ASP    32       7.681  71.788  32.210  1.00 29.90           O  
ATOM    249  CB  ASP    32       5.023  71.835  32.098  1.00 24.17           C  
ATOM    250  CG  ASP    32       3.554  71.478  31.973  1.00 30.38           C  
ATOM    251  OD1 ASP    32       3.227  70.279  31.784  1.00 38.07           O  
ATOM    252  OD2 ASP    32       2.770  72.422  32.055  1.00 30.46           O  
ATOM    253  N   LEU    33       7.887  70.246  33.789  1.00 20.01           N  
ATOM    254  CA  LEU    33       9.313  70.025  33.617  1.00 17.88           C  
ATOM    255  C   LEU    33       9.612  69.085  32.440  1.00 16.23           C  
ATOM    256  O   LEU    33       8.835  68.223  32.123  1.00 17.87           O  
ATOM    257  CB  LEU    33       9.867  69.428  34.896  1.00 19.64           C  
ATOM    258  CG  LEU    33       9.883  70.275  36.172  1.00 21.19           C  
ATOM    259  CD1 LEU    33      10.643  69.545  37.268  1.00 24.53           C  
ATOM    260  CD2 LEU    33      10.432  71.659  35.912  1.00 25.37           C  
ATOM    261  N   PRO    34      10.749  69.269  31.776  1.00 17.83           N  
ATOM    262  CA  PRO    34      11.023  68.509  30.584  1.00 16.44           C  
ATOM    263  C   PRO    34      11.424  67.067  30.901  1.00 15.71           C  
ATOM    264  O   PRO    34      12.065  66.794  31.877  1.00 17.77           O  
ATOM    265  CB  PRO    34      12.202  69.269  29.944  1.00 18.21           C  
ATOM    266  CG  PRO    34      12.895  69.905  31.100  1.00 18.34           C  
ATOM    267  CD  PRO    34      11.787  70.265  32.059  1.00 19.55           C  
ATOM    268  N   TYR    35      11.025  66.168  29.984  1.00 16.88           N  
ATOM    269  CA  TYR    35      11.409  64.779  30.042  1.00 17.46           C  
ATOM    270  C   TYR    35      11.297  64.188  28.640  1.00 15.80           C  
ATOM    271  O   TYR    35      10.792  64.818  27.731  1.00 17.13           O  
ATOM    272  CB  TYR    35      10.590  63.989  31.078  1.00 18.16           C  
ATOM    273  CG  TYR    35       9.146  63.835  30.745  1.00 18.09           C  
ATOM    274  CD1 TYR    35       8.215  64.788  31.135  1.00 18.29           C  
ATOM    275  CD2 TYR    35       8.719  62.720  30.045  1.00 20.95           C  
ATOM    276  CE1 TYR    35       6.881  64.630  30.819  1.00 19.96           C  
ATOM    277  CE2 TYR    35       7.392  62.553  29.721  1.00 24.10           C  
ATOM    278  CZ  TYR    35       6.475  63.513  30.106  1.00 22.89           C  
ATOM    279  OH  TYR    35       5.161  63.307  29.777  1.00 24.63           O  
ATOM    280  N   SER    36      11.757  62.966  28.519  1.00 17.59           N  
ATOM    281  CA  SER    36      11.552  62.167  27.308  1.00 18.48           C  
ATOM    282  C   SER    36      11.288  60.688  27.667  1.00 19.66           C  
ATOM    283  O   SER    36      10.161  60.258  27.657  1.00 22.24           O  
ATOM    284  CB  SER    36      12.744  62.252  26.338  1.00 20.27           C  
ATOM    285  OG ASER    36      12.704  63.368  25.494  0.37 34.79           O  
ATOM    286  OG BSER    36      12.333  61.581  25.129  0.63 22.81           O  
ATOM    287  N   CYS    37      12.310  59.917  27.997  1.00 21.67           N  
ATOM    288  CA  CYS    37      12.231  58.482  28.194  1.00 23.09           C  
ATOM    289  C   CYS    37      11.572  58.114  29.515  1.00 25.75           C  
ATOM    290  O   CYS    37      10.935  57.064  29.648  1.00 24.05           O  
ATOM    291  CB  CYS    37      13.641  57.809  28.076  1.00 23.81           C  
ATOM    292  SG  CYS    37      14.665  58.072  29.566  1.00 22.68           S  
ATOM    293  N   ARG    38      11.647  58.952  30.532  1.00 22.10           N  
ATOM    294  CA  ARG    38      11.222  58.733  31.899  1.00 20.33           C  
ATOM    295  C   ARG    38      11.747  57.455  32.538  1.00 22.60           C  
ATOM    296  O   ARG    38      11.154  56.902  33.472  1.00 24.60           O  
ATOM    297  CB  ARG    38       9.695  58.691  31.987  1.00 27.78           C  
ATOM    298  CG  ARG    38       8.957  59.982  31.957  1.00 36.06           C  
ATOM    299  CD  ARG    38       7.444  59.680  32.164  1.00 36.29           C  
ATOM    300  NE  ARG    38       7.136  60.063  33.558  1.00 34.38           N  
ATOM    301  CZ  ARG    38       6.755  61.285  33.913  1.00 31.24           C  
ATOM    302  NH1 ARG    38       6.595  62.283  33.070  1.00 25.67           N  
ATOM    303  NH2 ARG    38       6.524  61.444  35.200  1.00 31.41           N  
ATOM    304  N   ALA    39      12.878  57.010  32.052  1.00 20.48           N  
ATOM    305  CA  ALA    39      13.473  55.767  32.493  1.00 22.25           C  
ATOM    306  C   ALA    39      14.955  55.852  32.847  1.00 22.50           C  
ATOM    307  O   ALA    39      15.613  54.821  33.061  1.00 24.54           O  
ATOM    308  CB  ALA    39      13.288  54.706  31.386  1.00 24.94           C  
ATOM    309  N   GLY    40      15.524  57.048  33.003  1.00 18.58           N  
ATOM    310  CA  GLY    40      16.868  57.212  33.481  1.00 20.96           C  
ATOM    311  C   GLY    40      17.887  56.924  32.379  1.00 20.90           C  
ATOM    312  O   GLY    40      19.059  56.755  32.720  1.00 22.95           O  
ATOM    313  N   ALA    41      17.421  56.865  31.133  1.00 21.78           N  
ATOM    314  CA  ALA    41      18.270  56.469  30.023  1.00 22.82           C  
ATOM    315  C   ALA    41      18.504  57.554  28.971  1.00 24.70           C  
ATOM    316  O   ALA    41      18.882  57.266  27.805  1.00 33.95           O  
ATOM    317  CB  ALA    41      17.705  55.229  29.338  1.00 27.03           C  
ATOM    318  N   CYS    42      18.304  58.815  29.362  1.00 20.90           N  
ATOM    319  CA  CYS    42      18.551  59.920  28.430  1.00 21.85           C  
ATOM    320  C   CYS    42      18.971  61.106  29.297  1.00 21.30           C  
ATOM    321  O   CYS    42      19.265  60.896  30.487  1.00 24.51           O  
ATOM    322  CB  CYS    42      17.365  60.232  27.530  1.00 20.98           C  
ATOM    323  SG  CYS    42      15.986  61.217  28.195  1.00 21.54           S  
ATOM    324  N   SER    43      19.032  62.307  28.811  1.00 23.04           N  
ATOM    325  CA  SER    43      19.368  63.407  29.717  1.00 21.79           C  
ATOM    326  C   SER    43      18.327  64.495  29.652  1.00 20.43           C  
ATOM    327  O   SER    43      18.585  65.625  30.106  1.00 19.79           O  
ATOM    328  CB  SER    43      20.790  63.919  29.386  1.00 21.76           C  
ATOM    329  OG  SER    43      20.998  64.101  27.992  1.00 25.90           O  
ATOM    330  N   SER    44      17.132  64.202  29.128  1.00 19.30           N  
ATOM    331  CA  SER    44      16.158  65.258  28.913  1.00 18.11           C  
ATOM    332  C   SER    44      15.628  65.905  30.183  1.00 18.10           C  
ATOM    333  O   SER    44      15.251  67.089  30.182  1.00 21.51           O  
ATOM    334  CB  SER    44      14.971  64.714  28.060  1.00 20.15           C  
ATOM    335  OG  SER    44      15.462  64.450  26.748  1.00 25.27           O  
ATOM    336  N   CYS    45      15.610  65.191  31.268  1.00 17.82           N  
ATOM    337  CA  CYS    45      15.064  65.664  32.551  1.00 16.95           C  
ATOM    338  C   CYS    45      16.194  66.116  33.460  1.00 17.16           C  
ATOM    339  O   CYS    45      16.048  66.311  34.661  1.00 17.41           O  
ATOM    340  CB  CYS    45      14.311  64.510  33.186  1.00 16.35           C  
ATOM    341  SG  CYS    45      15.439  63.170  33.676  1.00 17.81           S  
ATOM    342  N   ALA    46      17.401  66.279  32.925  1.00 17.92           N  
ATOM    343  CA  ALA    46      18.556  66.546  33.779  1.00 16.67           C  
ATOM    344  C   ALA    46      18.447  67.860  34.537  1.00 17.83           C  
ATOM    345  O   ALA    46      18.018  68.892  33.976  1.00 18.36           O  
ATOM    346  CB  ALA    46      19.856  66.557  32.958  1.00 20.43           C  
ATOM    347  N   GLY    47      18.886  67.814  35.799  1.00 17.53           N  
ATOM    348  CA  GLY    47      19.050  69.039  36.573  1.00 18.10           C  
ATOM    349  C   GLY    47      20.372  68.951  37.318  1.00 16.74           C  
ATOM    350  O   GLY    47      21.119  68.001  37.176  1.00 18.29           O  
ATOM    351  N   LYS    48      20.605  69.965  38.137  1.00 18.75           N  
ATOM    352  CA  LYS    48      21.772  70.012  39.000  1.00 19.54           C  
ATOM    353  C   LYS    48      21.359  70.234  40.458  1.00 19.10           C  
ATOM    354  O   LYS    48      20.660  71.227  40.714  1.00 20.88           O  
ATOM    355  CB  LYS    48      22.775  71.114  38.585  1.00 26.38           C  
ATOM    356  CG  LYS    48      24.187  70.862  39.163  1.00 37.02           C  
ATOM    357  CD  LYS    48      25.218  71.513  38.199  1.00 46.04           C  
ATOM    358  CE  LYS    48      26.567  71.282  38.812  1.00 53.14           C  
ATOM    359  NZ  LYS    48      27.642  72.141  38.277  1.00 76.59           N  
ATOM    360  N   VAL    49      21.805  69.349  41.345  1.00 18.68           N  
ATOM    361  CA  VAL    49      21.534  69.496  42.792  1.00 19.40           C  
ATOM    362  C   VAL    49      22.452  70.571  43.361  1.00 20.20           C  
ATOM    363  O   VAL    49      23.677  70.444  43.286  1.00 25.00           O  
ATOM    364  CB  VAL    49      21.759  68.194  43.554  1.00 22.10           C  
ATOM    365  CG1 VAL    49      21.514  68.453  45.031  1.00 24.04           C  
ATOM    366  CG2 VAL    49      20.814  67.135  42.993  1.00 20.73           C  
ATOM    367  N   GLU    50      21.865  71.626  43.926  1.00 20.27           N  
ATOM    368  CA  GLU    50      22.601  72.675  44.589  1.00 20.86           C  
ATOM    369  C   GLU    50      22.620  72.559  46.107  1.00 22.00           C  
ATOM    370  O   GLU    50      23.492  73.136  46.755  1.00 25.50           O  
ATOM    371  CB  GLU    50      21.976  74.012  44.247  1.00 21.95           C  
ATOM    372  CG  GLU    50      21.966  74.323  42.754  1.00 26.08           C  
ATOM    373  CD  GLU    50      21.587  75.766  42.485  1.00 30.42           C  
ATOM    374  OE1 GLU    50      21.102  76.538  43.356  1.00 32.96           O  
ATOM    375  OE2 GLU    50      21.789  76.144  41.305  1.00 34.31           O  
ATOM    376  N   SER    51      21.669  71.828  46.685  1.00 21.01           N  
ATOM    377  CA  SER    51      21.582  71.604  48.121  1.00 21.07           C  
ATOM    378  C   SER    51      20.786  70.312  48.344  1.00 19.81           C  
ATOM    379  O   SER    51      19.824  70.032  47.617  1.00 19.48           O  
ATOM    380  CB  SER    51      20.918  72.787  48.814  1.00 23.50           C  
ATOM    381  OG  SER    51      20.881  72.729  50.219  1.00 23.43           O  
ATOM    382  N   GLY    52      21.170  69.586  49.385  1.00 20.56           N  
ATOM    383  CA  GLY    52      20.510  68.368  49.751  1.00 20.61           C  
ATOM    384  C   GLY    52      21.049  67.193  48.951  1.00 22.69           C  
ATOM    385  O   GLY    52      22.052  67.282  48.243  1.00 21.66           O  
ATOM    386  N   GLU    53      20.310  66.099  49.140  1.00 22.33           N  
ATOM    387  CA  GLU    53      20.724  64.862  48.504  1.00 21.43           C  
ATOM    388  C   GLU    53      19.541  64.161  47.834  1.00 19.16           C  
ATOM    389  O   GLU    53      18.423  64.286  48.259  1.00 19.92           O  
ATOM    390  CB  GLU    53      21.379  63.934  49.533  1.00 28.86           C  
ATOM    391  CG  GLU    53      22.620  64.509  50.164  1.00 31.66           C  
ATOM    392  CD  GLU    53      23.880  64.467  49.327  1.00 39.00           C  
ATOM    393  OE1 GLU    53      23.764  64.036  48.147  1.00 58.93           O  
ATOM    394  OE2 GLU    53      24.942  64.893  49.867  1.00 49.05           O  
ATOM    395  N   VAL    54      19.874  63.389  46.790  1.00 19.19           N  
ATOM    396  CA  VAL    54      18.958  62.562  46.086  1.00 17.11           C  
ATOM    397  C   VAL    54      19.482  61.123  46.007  1.00 17.84           C  
ATOM    398  O   VAL    54      20.677  60.836  46.161  1.00 21.14           O  
ATOM    399  CB  VAL    54      18.673  63.055  44.662  1.00 18.21           C  
ATOM    400  CG1 VAL    54      18.162  64.501  44.697  1.00 20.16           C  
ATOM    401  CG2 VAL    54      19.907  62.952  43.803  1.00 21.18           C  
ATOM    402  N   ASP    55      18.522  60.251  45.751  1.00 17.97           N  
ATOM    403  CA  ASP    55      18.838  58.865  45.390  1.00 18.86           C  
ATOM    404  C   ASP    55      18.296  58.620  43.962  1.00 17.53           C  
ATOM    405  O   ASP    55      17.076  58.671  43.809  1.00 18.13           O  
ATOM    406  CB  ASP    55      18.292  57.807  46.330  1.00 22.66           C  
ATOM    407  CG  ASP    55      18.917  56.442  46.028  1.00 27.37           C  
ATOM    408  OD1 ASP    55      18.777  55.929  44.925  1.00 20.93           O  
ATOM    409  OD2 ASP    55      19.637  55.828  46.892  1.00 39.95           O  
ATOM    410  N   GLN    56      19.196  58.371  43.022  1.00 18.16           N  
ATOM    411  CA  GLN    56      18.816  58.163  41.639  1.00 16.98           C  
ATOM    412  C   GLN    56      19.388  56.832  41.142  1.00 18.36           C  
ATOM    413  O   GLN    56      19.831  56.744  40.009  1.00 20.00           O  
ATOM    414  CB  GLN    56      19.237  59.347  40.760  1.00 16.61           C  
ATOM    415  CG  GLN    56      20.693  59.658  40.751  1.00 18.29           C  
ATOM    416  CD  GLN    56      21.076  60.821  39.848  1.00 17.89           C  
ATOM    417  OE1 GLN    56      20.492  61.058  38.803  1.00 20.13           O  
ATOM    418  NE2 GLN    56      22.083  61.591  40.245  1.00 22.88           N  
ATOM    419  N   SER    57      19.361  55.801  42.014  1.00 19.22           N  
ATOM    420  CA  SER    57      19.984  54.537  41.681  1.00 19.53           C  
ATOM    421  C   SER    57      19.520  53.916  40.378  1.00 21.12           C  
ATOM    422  O   SER    57      20.320  53.256  39.714  1.00 21.55           O  
ATOM    423  CB  SER    57      19.713  53.517  42.788  1.00 21.23           C  
ATOM    424  OG  SER    57      20.332  53.942  43.993  1.00 25.61           O  
ATOM    425  N   ASP    58      18.260  54.057  39.981  1.00 20.00           N  
ATOM    426  CA  ASP    58      17.869  53.409  38.718  1.00 20.14           C  
ATOM    427  C   ASP    58      18.405  54.135  37.488  1.00 19.87           C  
ATOM    428  O   ASP    58      18.300  53.610  36.369  1.00 22.11           O  
ATOM    429  CB  ASP    58      16.354  53.348  38.700  1.00 20.26           C  
ATOM    430  CG  ASP    58      15.836  52.544  37.526  1.00 21.37           C  
ATOM    431  OD1 ASP    58      16.282  51.396  37.343  1.00 22.11           O  
ATOM    432  OD2 ASP    58      14.956  53.056  36.818  1.00 23.52           O  
ATOM    433  N   GLN    59      18.968  55.343  37.625  1.00 19.21           N  
ATOM    434  CA  GLN    59      19.478  56.026  36.430  1.00 19.83           C  
ATOM    435  C   GLN    59      20.553  55.211  35.748  1.00 20.76           C  
ATOM    436  O   GLN    59      21.327  54.562  36.456  1.00 22.45           O  
ATOM    437  CB  GLN    59      19.940  57.425  36.860  1.00 21.75           C  
ATOM    438  CG  GLN    59      21.349  57.627  37.353  1.00 20.86           C  
ATOM    439  CD  GLN    59      22.407  57.781  36.260  1.00 21.18           C  
ATOM    440  OE1 GLN    59      22.144  58.431  35.246  1.00 24.01           O  
ATOM    441  NE2 GLN    59      23.536  57.079  36.389  1.00 26.38           N  
ATOM    442  N   SER    60      20.717  55.403  34.461  1.00 21.82           N  
ATOM    443  CA  SER    60      21.849  54.750  33.823  1.00 23.88           C  
ATOM    444  C   SER    60      22.550  55.623  32.805  1.00 26.43           C  
ATOM    445  O   SER    60      23.529  55.158  32.205  1.00 41.45           O  
ATOM    446  CB  SER    60      21.376  53.448  33.150  1.00 28.97           C  
ATOM    447  OG  SER    60      20.348  53.658  32.195  1.00 30.69           O  
ATOM    448  N   PHE    61      22.148  56.867  32.549  1.00 24.40           N  
ATOM    449  CA  PHE    61      22.804  57.700  31.545  1.00 24.36           C  
ATOM    450  C   PHE    61      24.020  58.497  31.997  1.00 27.54           C  
ATOM    451  O   PHE    61      25.005  58.641  31.277  1.00 28.48           O  
ATOM    452  CB  PHE    61      21.762  58.711  31.036  1.00 30.28           C  
ATOM    453  CG  PHE    61      22.299  59.519  29.876  1.00 36.39           C  
ATOM    454  CD1 PHE    61      22.348  58.958  28.617  1.00 41.56           C  
ATOM    455  CD2 PHE    61      22.746  60.814  30.036  1.00 41.62           C  
ATOM    456  CE1 PHE    61      22.840  59.693  27.526  1.00 42.71           C  
ATOM    457  CE2 PHE    61      23.268  61.516  28.963  1.00 43.68           C  
ATOM    458  CZ  PHE    61      23.335  60.965  27.706  1.00 44.72           C  
ATOM    459  N   LEU    62      23.918  59.070  33.202  1.00 24.57           N  
ATOM    460  CA  LEU    62      25.017  59.845  33.765  1.00 24.82           C  
ATOM    461  C   LEU    62      26.171  58.957  34.229  1.00 27.50           C  
ATOM    462  O   LEU    62      25.938  57.854  34.749  1.00 26.08           O  
ATOM    463  CB  LEU    62      24.542  60.651  34.964  1.00 23.81           C  
ATOM    464  CG  LEU    62      23.420  61.641  34.702  1.00 20.00           C  
ATOM    465  CD1 LEU    62      22.964  62.252  36.030  1.00 24.22           C  
ATOM    466  CD2 LEU    62      23.832  62.729  33.741  1.00 25.69           C  
ATOM    467  N   ASP    63      27.386  59.496  34.021  1.00 29.74           N  
ATOM    468  CA  ASP    63      28.535  58.734  34.556  1.00 34.03           C  
ATOM    469  C   ASP    63      28.822  59.192  35.992  1.00 32.01           C  
ATOM    470  O   ASP    63      28.204  60.123  36.500  1.00 31.05           O  
ATOM    471  CB  ASP    63      29.771  58.836  33.710  1.00 38.99           C  
ATOM    472  CG  ASP    63      30.260  60.206  33.309  1.00 44.80           C  
ATOM    473  OD1 ASP    63      30.082  61.120  34.135  1.00 43.97           O  
ATOM    474  OD2 ASP    63      30.840  60.356  32.179  1.00 51.64           O  
ATOM    475  N   ASP    64      29.798  58.496  36.613  1.00 36.43           N  
ATOM    476  CA  ASP    64      30.041  58.893  37.990  1.00 39.50           C  
ATOM    477  C   ASP    64      30.586  60.304  38.125  1.00 37.24           C  
ATOM    478  O   ASP    64      30.307  60.973  39.122  1.00 41.74           O  
ATOM    479  CB  ASP    64      30.991  57.882  38.654  1.00 47.81           C  
ATOM    480  CG  ASP    64      30.380  56.493  38.612  1.00 53.03           C  
ATOM    481  OD1 ASP    64      29.275  56.310  39.145  1.00 57.46           O  
ATOM    482  OD2 ASP    64      31.017  55.594  38.013  1.00 68.88           O  
ATOM    483  N   ALA    65      31.351  60.780  37.160  1.00 37.66           N  
ATOM    484  CA  ALA    65      31.887  62.142  37.136  1.00 37.41           C  
ATOM    485  C   ALA    65      30.787  63.192  37.140  1.00 35.94           C  
ATOM    486  O   ALA    65      30.769  64.198  37.854  1.00 39.93           O  
ATOM    487  CB  ALA    65      32.764  62.356  35.910  1.00 47.60           C  
ATOM    488  N   GLN    66      29.790  62.982  36.292  1.00 34.70           N  
ATOM    489  CA  GLN    66      28.645  63.871  36.211  1.00 30.39           C  
ATOM    490  C   GLN    66      27.828  63.851  37.487  1.00 28.35           C  
ATOM    491  O   GLN    66      27.441  64.894  37.986  1.00 28.49           O  
ATOM    492  CB  GLN    66      27.817  63.416  35.005  1.00 27.51           C  
ATOM    493  CG  GLN    66      28.489  63.701  33.684  1.00 30.36           C  
ATOM    494  CD  GLN    66      27.877  63.013  32.494  1.00 31.80           C  
ATOM    495  OE1 GLN    66      27.281  61.928  32.594  1.00 32.39           O  
ATOM    496  NE2 GLN    66      28.073  63.628  31.330  1.00 35.23           N  
ATOM    497  N   MET    67      27.577  62.669  38.049  1.00 27.21           N  
ATOM    498  CA  MET    67      26.805  62.641  39.283  1.00 29.40           C  
ATOM    499  C   MET    67      27.555  63.341  40.407  1.00 30.13           C  
ATOM    500  O   MET    67      26.929  64.028  41.211  1.00 28.97           O  
ATOM    501  CB  MET    67      26.446  61.177  39.678  1.00 30.11           C  
ATOM    502  CG  MET    67      25.314  60.695  38.794  1.00 29.50           C  
ATOM    503  SD  MET    67      24.587  59.124  39.164  1.00 31.53           S  
ATOM    504  CE  MET    67      25.907  57.972  38.813  1.00 31.12           C  
ATOM    505  N   GLY    68      28.872  63.138  40.377  1.00 31.88           N  
ATOM    506  CA  GLY    68      29.793  63.727  41.326  1.00 32.95           C  
ATOM    507  C   GLY    68      29.670  65.246  41.338  1.00 32.85           C  
ATOM    508  O   GLY    68      29.820  65.939  42.345  1.00 43.22           O  
ATOM    509  N   LYS    69      29.384  65.854  40.202  1.00 32.92           N  
ATOM    510  CA  LYS    69      29.239  67.274  39.998  1.00 32.25           C  
ATOM    511  C   LYS    69      27.820  67.721  40.321  1.00 30.02           C  
ATOM    512  O   LYS    69      27.564  68.909  40.235  1.00 36.67           O  
ATOM    513  CB  LYS    69      29.567  67.637  38.544  1.00 38.29           C  
ATOM    514  CG  LYS    69      31.076  67.705  38.261  1.00 46.04           C  
ATOM    515  CD  LYS    69      31.474  66.808  37.129  1.00 52.00           C  
ATOM    516  CE  LYS    69      31.092  67.347  35.757  1.00 57.24           C  
ATOM    517  NZ  LYS    69      32.022  66.770  34.727  1.00 75.07           N  
ATOM    518  N   GLY    70      26.911  66.828  40.679  1.00 28.26           N  
ATOM    519  CA  GLY    70      25.588  67.206  41.111  1.00 25.98           C  
ATOM    520  C   GLY    70      24.516  66.967  40.087  1.00 23.87           C  
ATOM    521  O   GLY    70      23.337  67.290  40.343  1.00 21.55           O  
ATOM    522  N   PHE    71      24.853  66.438  38.917  1.00 21.21           N  
ATOM    523  CA  PHE    71      23.784  66.189  37.941  1.00 19.30           C  
ATOM    524  C   PHE    71      22.825  65.104  38.449  1.00 19.01           C  
ATOM    525  O   PHE    71      23.225  64.148  39.125  1.00 20.65           O  
ATOM    526  CB  PHE    71      24.341  65.821  36.560  1.00 20.07           C  
ATOM    527  CG  PHE    71      24.937  67.046  35.865  1.00 24.74           C  
ATOM    528  CD1 PHE    71      24.089  67.992  35.285  1.00 25.94           C  
ATOM    529  CD2 PHE    71      26.322  67.219  35.791  1.00 26.28           C  
ATOM    530  CE1 PHE    71      24.655  69.080  34.651  1.00 30.06           C  
ATOM    531  CE2 PHE    71      26.881  68.315  35.168  1.00 30.55           C  
ATOM    532  CZ  PHE    71      26.015  69.247  34.583  1.00 31.55           C  
ATOM    533  N   VAL    72      21.553  65.305  38.097  1.00 18.52           N  
ATOM    534  CA  VAL    72      20.462  64.432  38.504  1.00 16.43           C  
ATOM    535  C   VAL    72      19.472  64.251  37.352  1.00 15.95           C  
ATOM    536  O   VAL    72      19.109  65.197  36.663  1.00 17.61           O  
ATOM    537  CB  VAL    72      19.753  64.960  39.769  1.00 16.53           C  
ATOM    538  CG1 VAL    72      19.214  66.380  39.569  1.00 19.01           C  
ATOM    539  CG2 VAL    72      18.665  63.994  40.224  1.00 18.63           C  
ATOM    540  N   LEU    73      19.047  62.995  37.169  1.00 16.27           N  
ATOM    541  CA  LEU    73      17.932  62.729  36.261  1.00 15.19           C  
ATOM    542  C   LEU    73      16.673  62.701  37.111  1.00 15.35           C  
ATOM    543  O   LEU    73      16.377  61.757  37.838  1.00 16.35           O  
ATOM    544  CB  LEU    73      18.148  61.431  35.482  1.00 16.44           C  
ATOM    545  CG  LEU    73      19.428  61.383  34.675  1.00 18.47           C  
ATOM    546  CD1 LEU    73      19.519  60.097  33.863  1.00 20.51           C  
ATOM    547  CD2 LEU    73      19.575  62.607  33.757  1.00 19.48           C  
ATOM    548  N   THR    74      15.923  63.804  37.010  1.00 15.11           N  
ATOM    549  CA  THR    74      14.751  64.014  37.858  1.00 14.85           C  
ATOM    550  C   THR    74      13.632  63.000  37.666  1.00 16.08           C  
ATOM    551  O   THR    74      12.811  62.832  38.589  1.00 16.01           O  
ATOM    552  CB  THR    74      14.189  65.438  37.701  1.00 14.90           C  
ATOM    553  OG1 THR    74      13.813  65.670  36.342  1.00 17.18           O  
ATOM    554  CG2 THR    74      15.247  66.458  38.138  1.00 19.20           C  
ATOM    555  N   CYS    75      13.591  62.283  36.548  1.00 15.16           N  
ATOM    556  CA  CYS    75      12.559  61.288  36.360  1.00 16.23           C  
ATOM    557  C   CYS    75      12.740  60.058  37.242  1.00 16.18           C  
ATOM    558  O   CYS    75      11.730  59.350  37.418  1.00 17.23           O  
ATOM    559  CB  CYS    75      12.460  60.870  34.889  1.00 17.39           C  
ATOM    560  SG  CYS    75      13.927  59.938  34.323  1.00 18.30           S  
ATOM    561  N   VAL    76      13.917  59.797  37.774  1.00 15.72           N  
ATOM    562  CA  VAL    76      14.129  58.619  38.590  1.00 15.93           C  
ATOM    563  C   VAL    76      14.888  58.988  39.881  1.00 15.95           C  
ATOM    564  O   VAL    76      15.574  58.146  40.463  1.00 17.14           O  
ATOM    565  CB  VAL    76      14.898  57.511  37.833  1.00 17.08           C  
ATOM    566  CG1 VAL    76      14.008  56.857  36.775  1.00 20.01           C  
ATOM    567  CG2 VAL    76      16.219  58.034  37.242  1.00 18.97           C  
ATOM    568  N   ALA    77      14.739  60.250  40.304  1.00 15.18           N  
ATOM    569  CA  ALA    77      15.419  60.675  41.511  1.00 15.70           C  
ATOM    570  C   ALA    77      14.456  60.921  42.684  1.00 14.46           C  
ATOM    571  O   ALA    77      13.468  61.647  42.541  1.00 16.16           O  
ATOM    572  CB  ALA    77      16.230  61.962  41.281  1.00 16.78           C  
ATOM    573  N   TYR    78      14.737  60.299  43.835  1.00 15.15           N  
ATOM    574  CA  TYR    78      14.029  60.616  45.061  1.00 15.59           C  
ATOM    575  C   TYR    78      14.799  61.631  45.874  1.00 16.71           C  
ATOM    576  O   TYR    78      16.007  61.535  45.990  1.00 18.59           O  
ATOM    577  CB  TYR    78      13.903  59.352  45.912  1.00 18.12           C  
ATOM    578  CG  TYR    78      13.201  58.171  45.284  1.00 16.89           C  
ATOM    579  CD1 TYR    78      11.842  58.180  45.107  1.00 18.34           C  
ATOM    580  CD2 TYR    78      13.915  57.052  44.878  1.00 17.31           C  
ATOM    581  CE1 TYR    78      11.194  57.093  44.526  1.00 18.31           C  
ATOM    582  CE2 TYR    78      13.299  55.966  44.300  1.00 17.27           C  
ATOM    583  CZ  TYR    78      11.926  55.997  44.126  1.00 16.57           C  
ATOM    584  OH  TYR    78      11.283  54.919  43.562  1.00 20.06           O  
ATOM    585  N   PRO    79      14.151  62.548  46.552  1.00 16.73           N  
ATOM    586  CA  PRO    79      14.852  63.384  47.535  1.00 16.55           C  
ATOM    587  C   PRO    79      15.107  62.555  48.779  1.00 17.70           C  
ATOM    588  O   PRO    79      14.244  61.797  49.207  1.00 20.26           O  
ATOM    589  CB  PRO    79      13.834  64.489  47.818  1.00 17.38           C  
ATOM    590  CG  PRO    79      12.489  63.859  47.608  1.00 18.67           C  
ATOM    591  CD  PRO    79      12.714  62.790  46.519  1.00 16.39           C  
ATOM    592  N   THR    80      16.269  62.677  49.401  1.00 18.70           N  
ATOM    593  CA  THR    80      16.492  62.079  50.693  1.00 19.71           C  
ATOM    594  C   THR    80      16.669  63.107  51.803  1.00 21.34           C  
ATOM    595  O   THR    80      17.045  62.796  52.912  1.00 25.40           O  
ATOM    596  CB  THR    80      17.718  61.134  50.684  1.00 22.69           C  
ATOM    597  OG1 THR    80      18.921  61.862  50.427  1.00 24.09           O  
ATOM    598  CG2 THR    80      17.509  60.070  49.611  1.00 22.35           C  
ATOM    599  N   SER    81      16.411  64.337  51.484  1.00 20.85           N  
ATOM    600  CA  SER    81      16.417  65.519  52.307  1.00 20.76           C  
ATOM    601  C   SER    81      15.629  66.613  51.588  1.00 18.81           C  
ATOM    602  O   SER    81      15.278  66.422  50.437  1.00 20.89           O  
ATOM    603  CB  SER    81      17.826  66.012  52.599  1.00 21.63           C  
ATOM    604  OG  SER    81      18.482  66.523  51.449  1.00 21.46           O  
ATOM    605  N   ASP    82      15.414  67.777  52.194  1.00 19.32           N  
ATOM    606  CA  ASP    82      15.078  68.916  51.341  1.00 19.10           C  
ATOM    607  C   ASP    82      16.184  69.091  50.279  1.00 19.31           C  
ATOM    608  O   ASP    82      17.376  68.883  50.568  1.00 20.15           O  
ATOM    609  CB  ASP    82      14.948  70.208  52.131  1.00 18.80           C  
ATOM    610  CG  ASP    82      13.769  70.312  53.082  1.00 18.15           C  
ATOM    611  OD1 ASP    82      12.856  69.472  52.970  1.00 20.48           O  
ATOM    612  OD2 ASP    82      13.814  71.246  53.909  1.00 18.79           O  
ATOM    613  N   VAL    83      15.759  69.479  49.081  1.00 16.32           N  
ATOM    614  CA  VAL    83      16.639  69.556  47.930  1.00 16.83           C  
ATOM    615  C   VAL    83      16.368  70.813  47.137  1.00 16.49           C  
ATOM    616  O   VAL    83      15.210  71.149  46.975  1.00 18.84           O  
ATOM    617  CB  VAL    83      16.493  68.316  47.021  1.00 20.96           C  
ATOM    618  CG1 VAL    83      17.372  68.495  45.808  1.00 30.91           C  
ATOM    619  CG2 VAL    83      17.005  67.096  47.716  1.00 26.96           C  
ATOM    620  N   THR    84      17.429  71.477  46.683  1.00 17.99           N  
ATOM    621  CA  THR    84      17.317  72.528  45.650  1.00 18.66           C  
ATOM    622  C   THR    84      17.917  72.006  44.366  1.00 18.32           C  
ATOM    623  O   THR    84      19.076  71.577  44.394  1.00 18.89           O  
ATOM    624  CB  THR    84      18.031  73.816  46.073  1.00 20.17           C  
ATOM    625  OG1 THR    84      17.374  74.277  47.250  1.00 20.46           O  
ATOM    626  CG2 THR    84      17.944  74.928  45.022  1.00 23.07           C  
ATOM    627  N   ILE    85      17.146  72.042  43.295  1.00 16.87           N  
ATOM    628  CA  ILE    85      17.603  71.618  41.973  1.00 17.36           C  
ATOM    629  C   ILE    85      17.431  72.726  40.963  1.00 17.63           C  
ATOM    630  O   ILE    85      16.342  73.299  40.876  1.00 19.27           O  
ATOM    631  CB  ILE    85      16.844  70.368  41.496  1.00 19.49           C  
ATOM    632  CG1 ILE    85      17.201  69.149  42.315  1.00 22.68           C  
ATOM    633  CG2 ILE    85      17.110  70.044  40.043  1.00 20.75           C  
ATOM    634  CD1 ILE    85      16.293  67.944  42.273  1.00 21.87           C  
ATOM    635  N   LEU    86      18.542  72.976  40.226  1.00 18.22           N  
ATOM    636  CA  LEU    86      18.465  73.823  39.037  1.00 18.05           C  
ATOM    637  C   LEU    86      18.008  72.940  37.868  1.00 18.15           C  
ATOM    638  O   LEU    86      18.721  71.985  37.539  1.00 19.80           O  
ATOM    639  CB  LEU    86      19.811  74.444  38.818  1.00 20.20           C  
ATOM    640  CG  LEU    86      20.018  75.340  37.605  1.00 22.93           C  
ATOM    641  CD1 LEU    86      19.202  76.613  37.679  1.00 25.37           C  
ATOM    642  CD2 LEU    86      21.521  75.603  37.461  1.00 26.70           C  
ATOM    643  N   THR    87      16.849  73.246  37.300  1.00 18.44           N  
ATOM    644  CA  THR    87      16.310  72.376  36.247  1.00 18.35           C  
ATOM    645  C   THR    87      16.886  72.792  34.903  1.00 20.49           C  
ATOM    646  O   THR    87      17.612  73.766  34.806  1.00 21.24           O  
ATOM    647  CB  THR    87      14.777  72.448  36.245  1.00 19.04           C  
ATOM    648  OG1 THR    87      14.473  73.840  36.051  1.00 23.00           O  
ATOM    649  CG2 THR    87      14.153  72.071  37.587  1.00 19.40           C  
ATOM    650  N   HIS    88      16.557  72.055  33.847  1.00 20.30           N  
ATOM    651  CA  HIS    88      16.900  72.362  32.465  1.00 20.53           C  
ATOM    652  C   HIS    88      18.409  72.464  32.240  1.00 21.92           C  
ATOM    653  O   HIS    88      18.922  73.360  31.589  1.00 24.42           O  
ATOM    654  CB  HIS    88      16.192  73.669  32.081  1.00 22.99           C  
ATOM    655  CG  HIS    88      14.712  73.662  31.947  1.00 23.79           C  
ATOM    656  ND1 HIS    88      13.765  73.531  32.936  1.00 22.70           N  
ATOM    657  CD2 HIS    88      13.869  73.781  30.896  1.00 24.61           C  
ATOM    658  CE1 HIS    88      12.517  73.594  32.627  1.00 24.62           C  
ATOM    659  NE2 HIS    88      12.576  73.720  31.300  1.00 25.69           N  
ATOM    660  N   GLN    89      19.133  71.500  32.807  1.00 20.45           N  
ATOM    661  CA  GLN    89      20.591  71.481  32.709  1.00 21.29           C  
ATOM    662  C   GLN    89      21.162  70.470  31.738  1.00 20.82           C  
ATOM    663  O   GLN    89      22.384  70.215  31.736  1.00 23.24           O  
ATOM    664  CB  GLN    89      21.198  71.262  34.092  1.00 24.09           C  
ATOM    665  CG  GLN    89      20.897  72.433  35.034  1.00 26.08           C  
ATOM    666  CD  GLN    89      21.284  73.781  34.448  1.00 30.28           C  
ATOM    667  OE1 GLN    89      22.472  74.023  34.199  1.00 34.18           O  
ATOM    668  NE2 GLN    89      20.359  74.704  34.207  1.00 30.07           N  
ATOM    669  N   GLU    90      20.327  69.929  30.872  1.00 20.85           N  
ATOM    670  CA  GLU    90      20.844  68.977  29.882  1.00 20.34           C  
ATOM    671  C   GLU    90      21.995  69.531  29.054  1.00 21.74           C  
ATOM    672  O   GLU    90      22.973  68.836  28.834  1.00 22.74           O  
ATOM    673  CB  GLU    90      19.743  68.524  28.911  1.00 21.14           C  
ATOM    674  CG  GLU    90      20.201  67.494  27.956  1.00 20.14           C  
ATOM    675  CD  GLU    90      19.096  66.835  27.141  1.00 21.96           C  
ATOM    676  OE1 GLU    90      18.001  67.414  26.965  1.00 22.36           O  
ATOM    677  OE2 GLU    90      19.349  65.701  26.663  1.00 25.76           O  
ATOM    678  N   ALA    91      21.883  70.791  28.639  1.00 23.44           N  
ATOM    679  CA  ALA    91      22.888  71.417  27.795  1.00 25.39           C  
ATOM    680  C   ALA    91      24.227  71.457  28.535  1.00 25.73           C  
ATOM    681  O   ALA    91      25.254  71.412  27.862  1.00 31.07           O  
ATOM    682  CB  ALA    91      22.576  72.846  27.395  1.00 35.03           C  
ATOM    683  N   ALA    92      24.180  71.520  29.839  1.00 25.75           N  
ATOM    684  CA  ALA    92      25.394  71.677  30.662  1.00 27.64           C  
ATOM    685  C   ALA    92      26.241  70.415  30.646  1.00 28.12           C  
ATOM    686  O   ALA    92      27.415  70.394  31.018  1.00 33.35           O  
ATOM    687  CB  ALA    92      25.044  72.031  32.092  1.00 29.53           C  
ATOM    688  N   LEU    93      25.661  69.310  30.180  1.00 27.23           N  
ATOM    689  CA  LEU    93      26.344  68.034  30.052  1.00 26.51           C  
ATOM    690  C   LEU    93      27.177  67.876  28.785  1.00 28.73           C  
ATOM    691  O   LEU    93      27.956  66.948  28.654  1.00 32.76           O  
ATOM    692  CB  LEU    93      25.280  66.898  30.025  1.00 26.26           C  
ATOM    693  CG  LEU    93      24.530  66.691  31.341  1.00 26.33           C  
ATOM    694  CD1 LEU    93      23.348  65.759  31.149  1.00 27.90           C  
ATOM    695  CD2 LEU    93      25.466  66.130  32.382  1.00 29.27           C  
ATOM    696  N   TYR    94      26.967  68.752  27.819  1.00 30.63           N  
ATOM    697  CA  TYR    94      27.479  68.585  26.466  1.00 32.94           C  
ATOM    698  C   TYR    94      28.442  69.693  26.092  1.00 41.37           C  
ATOM    699  O   TYR    94      28.551  70.678  26.852  1.00 50.16           O  
ATOM    700  CB  TYR    94      26.343  68.523  25.378  1.00 30.18           C  
ATOM    701  CG  TYR    94      25.536  67.261  25.653  1.00 29.01           C  
ATOM    702  CD1 TYR    94      25.971  65.997  25.267  1.00 34.37           C  
ATOM    703  CD2 TYR    94      24.331  67.362  26.346  1.00 27.74           C  
ATOM    704  CE1 TYR    94      25.241  64.855  25.527  1.00 31.65           C  
ATOM    705  CE2 TYR    94      23.612  66.228  26.620  1.00 25.54           C  
ATOM    706  CZ  TYR    94      24.051  64.988  26.223  1.00 28.11           C  
ATOM    707  OH  TYR    94      23.290  63.880  26.517  1.00 35.88           O  
ATOM    708  OXT TYR    94      29.043  69.501  25.015  1.00 49.25           O  
TER     709      TYR    94                                                      
HETATM  710 FE1  FES    98      15.153  60.323  30.104  1.00 20.08          FE  
HETATM  711 FE2  FES    98      14.785  61.253  32.648  1.00 19.04          FE  
HETATM  712  S1  FES    98      13.492  61.580  30.904  1.00 19.05           S  
HETATM  713  S2  FES    98      16.490  60.182  31.876  1.00 20.45           S  
HETATM  714  O   HOH   101      16.701  49.624  39.352  1.00 20.79           O  
HETATM  715  O   HOH   102      18.485  71.451  50.744  1.00 21.47           O  
HETATM  716  O   HOH   103      16.560  54.797  43.832  1.00 19.26           O  
HETATM  717  O   HOH   104      13.956  72.851  49.338  1.00 20.39           O  
HETATM  718  O   HOH   105      16.045  55.528  41.144  1.00 18.39           O  
HETATM  719  O   HOH   106       3.462  67.529  44.479  1.00 25.25           O  
HETATM  720  O   HOH   107      10.473  57.281  36.030  1.00 25.00           O  
HETATM  721  O   HOH   108      17.933  53.585  33.750  1.00 30.55           O  
HETATM  722  O   HOH   109       7.181  58.411  41.827  1.00 24.73           O  
HETATM  723  O   HOH   110      12.993  67.858  34.318  1.00 18.57           O  
HETATM  724  O   HOH   111      17.242  69.414  31.352  1.00 23.79           O  
HETATM  725  O   HOH   112       6.495  67.311  33.265  1.00 21.76           O  
HETATM  726  O   HOH   113      15.162  69.465  34.497  1.00 22.22           O  
HETATM  727  O   HOH   114      16.638  76.476  35.295  1.00 27.73           O  
HETATM  728  O   HOH   115      24.327  63.954  41.567  1.00 27.37           O  
HETATM  729  O   HOH   116       3.669  69.926  46.202  1.00 28.29           O  
HETATM  730  O   HOH   117       6.568  68.729  35.765  1.00 32.41           O  
HETATM  731  O   HOH   118      22.808  63.520  46.119  1.00 28.44           O  
HETATM  732  O   HOH   119      18.650  50.746  35.894  1.00 37.58           O  
HETATM  733  O   HOH   120      21.071  75.225  51.487  1.00 33.61           O  
HETATM  734  O   HOH   121      16.169  68.885  28.410  1.00 26.63           O  
HETATM  735  O   HOH   122      22.040  57.932  43.694  1.00 28.63           O  
HETATM  736  O   HOH   123      14.878  52.406  34.175  1.00 29.73           O  
HETATM  737  O   HOH   124      19.412  72.538  28.731  1.00 28.48           O  
HETATM  738  O   HOH   125      -2.298  67.110  40.345  1.00 33.93           O  
HETATM  739  O   HOH   126      26.539  60.835  30.236  1.00 43.98           O  
HETATM  740  O   HOH   127      11.632  77.700  51.017  1.00 38.40           O  
HETATM  741  O   HOH   128       1.924  74.613  39.064  1.00 68.31           O  
HETATM  742  O   HOH   129      18.242  63.331  26.071  1.00 32.12           O  
HETATM  743  O   HOH   130       3.381  61.152  45.884  1.00 42.45           O  
HETATM  744  O   HOH   131       9.359  79.037  45.425  1.00 39.88           O  
HETATM  745  O   HOH   132       3.711  65.771  46.129  1.00 36.61           O  
HETATM  746  O   HOH   133      10.224  76.054  54.642  1.00 34.56           O  
HETATM  747  O   HOH   134      23.465  69.797  51.137  1.00 38.42           O  
HETATM  748  O   HOH   135       0.304  72.638  30.385  1.00 37.25           O  
HETATM  749  O   HOH   136       8.690  55.587  42.218  1.00 39.83           O  
HETATM  750  O   HOH   137       9.767  75.310  33.584  1.00 56.28           O  
HETATM  751  O   HOH   138      29.479  66.132  31.066  1.00 39.52           O  
HETATM  752  O   HOH   139      24.196  75.238  40.146  1.00 43.64           O  
HETATM  753  O   HOH   140       7.892  57.733  36.103  1.00 46.94           O  
HETATM  754  O   HOH   141       6.363  57.121  37.893  1.00 48.38           O  
HETATM  755  O   HOH   142       8.441  77.112  36.538  1.00 42.72           O  
HETATM  756  O   HOH   143      11.669  76.812  48.637  1.00 34.72           O  
HETATM  757  O   HOH   144      14.150  59.152  49.560  1.00 27.82           O  
HETATM  758  O   HOH   145      17.338  50.844  33.262  1.00 38.91           O  
HETATM  759  O   HOH   146      23.175  56.477  41.509  1.00 43.18           O  
HETATM  760  O   HOH   147      23.565  65.334  44.152  1.00 34.31           O  
HETATM  761  O   HOH   148       9.870  73.566  31.659  1.00 34.81           O  
HETATM  762  O   HOH   149      15.110  72.639  27.434  1.00 46.61           O  
HETATM  763  O   HOH   150       5.717  75.690  31.981  1.00 46.12           O  
HETATM  764  O   HOH   151       8.784  59.423  25.551  1.00 55.91           O  
HETATM  765  O   HOH   152       7.917  54.155  37.813  1.00 59.71           O  
HETATM  766  O   HOH   153      17.971  55.653  49.238  1.00 41.69           O  
HETATM  767  O   HOH   154      21.003  76.719  46.174  1.00 48.00           O  
HETATM  768  O   HOH   155      26.093  60.059  26.493  1.00 51.33           O  
HETATM  769  O   HOH   156       7.253  53.302  50.253  1.00 52.92           O  
HETATM  770  O   HOH   157      18.722  60.273  54.369  1.00 60.94           O  
HETATM  771  O   HOH   158      31.101  56.346  35.548  1.00 47.51           O  
HETATM  772  O   HOH   159      -1.766  64.482  43.393  1.00 44.07           O  
HETATM  773  O   HOH   160      24.100  68.941  47.807  1.00 39.19           O  
HETATM  774  O   HOH   161      14.841  49.631  35.799  0.50 17.98           O  
HETATM  775  O   HOH   162       9.116  60.301  37.016  0.50 21.40           O  
HETATM  776  O   HOH   163       6.218  74.500  34.798  0.50 23.06           O  
HETATM  777  O   HOH   164      15.187  79.988  38.605  0.50 32.72           O  
HETATM  778  O   HOH   165      18.949  76.326  48.200  0.50 24.46           O  
HETATM  779  O   HOH   166      17.730  76.787  47.877  0.50 24.23           O  
HETATM  780  O   HOH   167       1.570  69.031  35.489  0.50 21.58           O  
HETATM  781  O   HOH   168      16.016  60.272  53.935  0.50 28.65           O  
HETATM  782  O   HOH   169       7.862  71.935  53.784  0.50 26.22           O  
HETATM  783  O   HOH   170      15.288  63.626  57.045  0.50 27.12           O  
HETATM  784  O   HOH   171       3.134  61.290  33.938  0.50 39.01           O  
HETATM  785  O   HOH   172      18.076  75.963  29.749  0.50 30.26           O  
HETATM  786  O   HOH   173       4.287  58.436  41.394  0.50 37.55           O  
HETATM  787  O   HOH   174      29.851  66.743  24.223  0.50 37.38           O  
HETATM  788  O   HOH   175      23.341  55.289  39.067  0.50 35.50           O  
HETATM  789  O   HOH   176       0.642  71.692  34.016  0.50 32.14           O  
HETATM  790  O   HOH   177      12.923  79.149  48.434  0.50 27.39           O  
HETATM  791  O   HOH   178       0.000  68.112  44.328  0.50 35.56           O  
HETATM  792  O   HOH   179      14.736  49.998  33.608  0.50 30.62           O  
HETATM  793  O   HOH   180      17.467  79.034  35.159  0.50 41.19           O  
HETATM  794  O   HOH   181      14.737  58.292  52.020  0.50 29.52           O  
HETATM  795  O   HOH   182       1.980  61.337  39.311  0.50 37.48           O  
HETATM  796  O   HOH   183      15.811  58.093  55.967  0.50 34.57           O  
HETATM  797  O   HOH   184       4.670  58.615  36.480  0.50 48.53           O  
HETATM  798  O   HOH   185      17.720  56.832  51.600  0.50 37.87           O  
HETATM  799  O   HOH   186      23.635  61.330  42.821  0.50 28.81           O  
HETATM  800  O   HOH   187      19.832  58.010  52.285  0.50 42.91           O  
HETATM  801  O   HOH   188       2.707  60.285  43.502  0.50 29.06           O  
HETATM  802  O   HOH   189      -1.796  66.958  43.687  0.50 30.12           O  
HETATM  803  O   HOH   190       4.401  58.716  48.217  0.50 41.17           O  
HETATM  804  O   HOH   191       6.135  77.103  43.823  0.50 38.78           O  
HETATM  805  O   HOH   192       2.689  63.370  27.720  0.50 25.84           O  
HETATM  806  O   HOH   193      15.358  82.600  33.139  0.50 29.41           O  
HETATM  807  O   HOH   194      22.366  74.018  31.021  0.50 31.35           O  
HETATM  808  O   HOH   195      25.325  57.473  28.836  0.50 31.13           O  
HETATM  809  O   HOH   196       2.450  74.217  42.298  0.50 29.94           O  
HETATM  810  O   HOH   197      23.110  61.121  45.359  0.50 25.88           O  
HETATM  811  O   HOH   198      32.862  64.549  40.045  0.50 32.83           O  
HETATM  812  O   HOH   199       9.873  54.386  33.621  0.50 30.18           O  
HETATM  813  O   HOH   200       9.489  63.276  53.138  0.50 21.71           O  
HETATM  814  O   HOH   201      21.440  55.031  29.336  0.50 35.31           O  
HETATM  815  O   HOH   202       8.600  67.622  53.992  0.50 28.52           O  
HETATM  816  O   HOH   203       5.503  66.092  54.651  0.50 36.66           O  
HETATM  817  O   HOH   204      23.554  73.638  24.006  0.50 37.12           O  
HETATM  818  O   HOH   205       0.449  64.820  37.473  0.50 36.76           O  
HETATM  819  O   HOH   206      28.116  68.400  43.710  0.50 52.08           O  
HETATM  820  O   HOH   207       2.566  61.917  47.892  0.50 42.96           O  
HETATM  821  O   HOH   208      22.900  55.403  45.421  0.50 46.41           O  
HETATM  822  O   HOH   209       4.160  73.397  48.566  0.50 44.19           O  
HETATM  823  O   HOH   210      24.821  60.802  24.459  0.50 47.20           O  
HETATM  824  O   HOH   211      29.165  70.496  22.934  0.50 37.65           O  
HETATM  825  O   HOH   212      33.214  59.023  34.634  0.50 44.19           O  
HETATM  826  O   HOH   213      25.034  68.884  45.078  0.50 35.71           O  
HETATM  827  O   HOH   214      21.840  80.474  44.029  0.50 47.77           O  
HETATM  828  O   HOH   215       8.146  78.342  49.634  0.50 43.88           O  
HETATM  829  O   HOH   216       0.079  60.985  29.424  0.50 66.64           O  
HETATM  830  O   HOH   217      11.091  83.054  41.435  0.50 39.95           O  
HETATM  831  O   HOH   218       8.583  77.768  52.531  0.50 47.62           O  
HETATM  832  O   HOH   219       7.112  55.856  33.474  0.50 41.53           O  
HETATM  833  O   HOH   220      24.964  75.277  30.226  0.50 42.27           O  
HETATM  834  O   HOH   221      24.125  52.716  35.434  0.50 46.87           O  
HETATM  835  O   HOH   222      33.465  62.214  41.114  0.50 46.42           O  
HETATM  836  O   HOH   223      14.301  50.335  31.353  0.50 37.33           O  
HETATM  837  O   HOH   224       6.469  64.230  52.270  0.50 49.03           O  
HETATM  838  O   HOH   225      25.186  75.335  27.112  0.50 60.21           O  
HETATM  839  O   HOH   226      23.081  76.097  47.868  0.50 43.21           O  
CONECT  292  291  710                                                           
CONECT  323  322  710                                                           
CONECT  341  340  711                                                           
CONECT  560  559  711                                                           
CONECT  710  292  323  712  713                                                 
CONECT  711  341  560  712  713                                                 
CONECT  712  710  711                                                           
CONECT  713  710  711                                                           
MASTER      367    0    1    4    5    0    0    6  838    1    8    8          
END                                                                             
