GenomeNet

Database: PDB
Entry: 3VAR
LinkDB: 3VAR
Original site: 3VAR 
HEADER    HYDROLASE                               29-DEC-11   3VAR              
TITLE     CRYSTAL STRUCTURE OF DNPEP, ZNZN FORM                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ASPARTYL AMINOPEPTIDASE;                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: DNPEP;                                                      
COMPND   5 EC: 3.4.11.21;                                                       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
SOURCE   4 ORGANISM_TAXID: 9913;                                                
SOURCE   5 GENE: DNPEP;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET                                       
KEYWDS    ALPHA-BETA-ALPHA SANDWICH, ASPARTYL AMINOPEPTIDASE, BINUCLEAR METAL   
KEYWDS   2 CENTER, M18 PEPTIDASE, MH CLAN, TETRAHEDRAL AMINOPEPTIDASE,          
KEYWDS   3 HYDROLASE                                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    P.D.KISER,Y.CHEN,K.PALCZEWSKI                                         
REVDAT   3   09-MAY-12 3VAR    1       JRNL                                     
REVDAT   2   07-MAR-12 3VAR    1       JRNL                                     
REVDAT   1   29-FEB-12 3VAR    0                                                
JRNL        AUTH   Y.CHEN,E.R.FARQUHAR,M.R.CHANCE,K.PALCZEWSKI,P.D.KISER        
JRNL        TITL   INSIGHTS INTO SUBSTRATE SPECIFICITY AND METAL ACTIVATION OF  
JRNL        TITL 2 MAMMALIAN TETRAHEDRAL ASPARTYL AMINOPEPTIDASE.               
JRNL        REF    J.BIOL.CHEM.                  V. 287 13356 2012              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   22356908                                                     
JRNL        DOI    10.1074/JBC.M112.347518                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.25 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.6.0117                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 86.68                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 27811                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.190                           
REMARK   3   R VALUE            (WORKING SET) : 0.187                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1460                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.25                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.31                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1680                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 85.83                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2750                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 89                           
REMARK   3   BIN FREE R VALUE                    : 0.3010                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3189                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 2                                       
REMARK   3   SOLVENT ATOMS            : 173                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 24.64                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.212         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.193         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.111         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.513         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.945                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.915                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  3279 ; 0.016 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  2242 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4448 ; 1.680 ; 1.973       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  5463 ; 0.984 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   415 ; 6.792 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   137 ;36.612 ;22.920       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   558 ;14.791 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    27 ;16.026 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   519 ; 0.101 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  3609 ; 0.008 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   662 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS                   
REMARK   3  U VALUES      : REFINED INDIVIDUALLY                                
REMARK   4                                                                      
REMARK   4 3VAR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-JAN-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB069809.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 29-JUL-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.27582                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI(111)             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29272                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.250                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 100.000                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.0                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.08900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2500                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SHELXD                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.89                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% 1,4-BUTANEDIOL, 100 MM MES-NAOH,     
REMARK 280  PH 6.0, 0.2 M LITHIUM SULFATE, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 281K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 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   X,Y+1/2,Z+1/2                                           
REMARK 290      26555   -X,-Y+1/2,Z+1/2                                         
REMARK 290      27555   -X,Y+1/2,-Z+1/2                                         
REMARK 290      28555   X,-Y+1/2,-Z+1/2                                         
REMARK 290      29555   Z,X+1/2,Y+1/2                                           
REMARK 290      30555   Z,-X+1/2,-Y+1/2                                         
REMARK 290      31555   -Z,-X+1/2,Y+1/2                                         
REMARK 290      32555   -Z,X+1/2,-Y+1/2                                         
REMARK 290      33555   Y,Z+1/2,X+1/2                                           
REMARK 290      34555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      35555   Y,-Z+1/2,-X+1/2                                         
REMARK 290      36555   -Y,-Z+1/2,X+1/2                                         
REMARK 290      37555   Y,X+1/2,-Z+1/2                                          
REMARK 290      38555   -Y,-X+1/2,-Z+1/2                                        
REMARK 290      39555   Y,-X+1/2,Z+1/2                                          
REMARK 290      40555   -Y,X+1/2,Z+1/2                                          
REMARK 290      41555   X,Z+1/2,-Y+1/2                                          
REMARK 290      42555   -X,Z+1/2,Y+1/2                                          
REMARK 290      43555   -X,-Z+1/2,-Y+1/2                                        
REMARK 290      44555   X,-Z+1/2,Y+1/2                                          
REMARK 290      45555   Z,Y+1/2,-X+1/2                                          
REMARK 290      46555   Z,-Y+1/2,X+1/2                                          
REMARK 290      47555   -Z,Y+1/2,X+1/2                                          
REMARK 290      48555   -Z,-Y+1/2,-X+1/2                                        
REMARK 290      49555   X+1/2,Y,Z+1/2                                           
REMARK 290      50555   -X+1/2,-Y,Z+1/2                                         
REMARK 290      51555   -X+1/2,Y,-Z+1/2                                         
REMARK 290      52555   X+1/2,-Y,-Z+1/2                                         
REMARK 290      53555   Z+1/2,X,Y+1/2                                           
REMARK 290      54555   Z+1/2,-X,-Y+1/2                                         
REMARK 290      55555   -Z+1/2,-X,Y+1/2                                         
REMARK 290      56555   -Z+1/2,X,-Y+1/2                                         
REMARK 290      57555   Y+1/2,Z,X+1/2                                           
REMARK 290      58555   -Y+1/2,Z,-X+1/2                                         
REMARK 290      59555   Y+1/2,-Z,-X+1/2                                         
REMARK 290      60555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      61555   Y+1/2,X,-Z+1/2                                          
REMARK 290      62555   -Y+1/2,-X,-Z+1/2                                        
REMARK 290      63555   Y+1/2,-X,Z+1/2                                          
REMARK 290      64555   -Y+1/2,X,Z+1/2                                          
REMARK 290      65555   X+1/2,Z,-Y+1/2                                          
REMARK 290      66555   -X+1/2,Z,Y+1/2                                          
REMARK 290      67555   -X+1/2,-Z,-Y+1/2                                        
REMARK 290      68555   X+1/2,-Z,Y+1/2                                          
REMARK 290      69555   Z+1/2,Y,-X+1/2                                          
REMARK 290      70555   Z+1/2,-Y,X+1/2                                          
REMARK 290      71555   -Z+1/2,Y,X+1/2                                          
REMARK 290      72555   -Z+1/2,-Y,-X+1/2                                        
REMARK 290      73555   X+1/2,Y+1/2,Z                                           
REMARK 290      74555   -X+1/2,-Y+1/2,Z                                         
REMARK 290      75555   -X+1/2,Y+1/2,-Z                                         
REMARK 290      76555   X+1/2,-Y+1/2,-Z                                         
REMARK 290      77555   Z+1/2,X+1/2,Y                                           
REMARK 290      78555   Z+1/2,-X+1/2,-Y                                         
REMARK 290      79555   -Z+1/2,-X+1/2,Y                                         
REMARK 290      80555   -Z+1/2,X+1/2,-Y                                         
REMARK 290      81555   Y+1/2,Z+1/2,X                                           
REMARK 290      82555   -Y+1/2,Z+1/2,-X                                         
REMARK 290      83555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      84555   -Y+1/2,-Z+1/2,X                                         
REMARK 290      85555   Y+1/2,X+1/2,-Z                                          
REMARK 290      86555   -Y+1/2,-X+1/2,-Z                                        
REMARK 290      87555   Y+1/2,-X+1/2,Z                                          
REMARK 290      88555   -Y+1/2,X+1/2,Z                                          
REMARK 290      89555   X+1/2,Z+1/2,-Y                                          
REMARK 290      90555   -X+1/2,Z+1/2,Y                                          
REMARK 290      91555   -X+1/2,-Z+1/2,-Y                                        
REMARK 290      92555   X+1/2,-Z+1/2,Y                                          
REMARK 290      93555   Z+1/2,Y+1/2,-X                                          
REMARK 290      94555   Z+1/2,-Y+1/2,X                                          
REMARK 290      95555   -Z+1/2,Y+1/2,X                                          
REMARK 290      96555   -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        0.00000            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  49  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  49  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  49  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  50 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  50  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  50  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  51 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  51  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  51  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  52  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  52  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  52  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  53  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  53  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  53  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  54  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  54 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  54  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  55  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  55 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  55  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  56  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  56  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  56  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  57  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  57  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  57  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  58  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  58  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  58 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  59  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  59  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  59 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  60  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  60  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  60  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  61  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  61  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  61  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  62  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  62 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  62  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY1  63  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  63 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  63  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  64  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  64  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  64  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY1  65  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  65  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  65  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  66 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  66  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  66  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  67 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  67  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  67  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  68  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  68  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  68  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY1  69  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  69  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  69 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  70  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  70  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  70  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  71  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  71  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  71  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  72  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  72  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  72 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY1  73  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  73  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  73  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  74 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  74  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  74  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  75 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  75  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  75  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  76  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  76  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  76  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  77  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  77  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  77  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  78  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  78 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  78  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  79  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  79 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  79  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  80  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  80  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  80  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  81  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  81  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  81  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  82  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  82  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  82 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  83  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  83  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  83 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  84  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  84  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  84  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  85  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  85  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  85  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  86  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  86 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  86  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  87  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  87 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  87  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  88  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY2  88  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY3  88  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  89  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  89  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  89  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  90 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  90  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY3  90  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  91 -1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  91  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  91  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  92  1.000000  0.000000  0.000000      122.58100            
REMARK 290   SMTRY2  92  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY3  92  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  93  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  93  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  93 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  94  0.000000  0.000000  1.000000      122.58100            
REMARK 290   SMTRY2  94  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  94  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  95  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  95  0.000000  1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  95  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  96  0.000000  0.000000 -1.000000      122.58100            
REMARK 290   SMTRY2  96  0.000000 -1.000000  0.000000      122.58100            
REMARK 290   SMTRY3  96 -1.000000  0.000000  0.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DODECAMERIC                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC                
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 76740 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 150050 ANGSTROM**2                      
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1253.0 KCAL/MOL                      
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   3  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   4  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT3   4  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   5 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT3   5  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT1   6  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   6  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT3   6 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT1   7 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT2   7  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   7  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT1   8  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   8  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT1   9  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   9 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT1  10 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT2  10  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT3  10  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1  11  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT2  11 -1.000000  0.000000  0.000000      122.58100            
REMARK 350   BIOMT3  11  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  12  0.000000 -1.000000  0.000000      122.58100            
REMARK 350   BIOMT2  12  0.000000  0.000000 -1.000000      122.58100            
REMARK 350   BIOMT3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     MET A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     TYR A     4                                                      
REMARK 465     TYR A     5                                                      
REMARK 465     HIS A     6                                                      
REMARK 465     HIS A     7                                                      
REMARK 465     HIS A     8                                                      
REMARK 465     HIS A     9                                                      
REMARK 465     HIS A    10                                                      
REMARK 465     HIS A    11                                                      
REMARK 465     ASP A    12                                                      
REMARK 465     TYR A    13                                                      
REMARK 465     ASP A    14                                                      
REMARK 465     ILE A    15                                                      
REMARK 465     PRO A    16                                                      
REMARK 465     THR A    17                                                      
REMARK 465     THR A    18                                                      
REMARK 465     GLU A    19                                                      
REMARK 465     ASN A    20                                                      
REMARK 465     LEU A    21                                                      
REMARK 465     TYR A    22                                                      
REMARK 465     PHE A    23                                                      
REMARK 465     GLN A    24                                                      
REMARK 465     GLY A    25                                                      
REMARK 465     ALA A    26                                                      
REMARK 465     MET A    27                                                      
REMARK 465     ARG A   125                                                      
REMARK 465     ARG A   126                                                      
REMARK 465     SER A   127                                                      
REMARK 465     ARG A   128                                                      
REMARK 465     LYS A   164                                                      
REMARK 465     CYS A   165                                                      
REMARK 465     PRO A   166                                                      
REMARK 465     THR A   167                                                      
REMARK 465     SER A   168                                                      
REMARK 465     GLY A   169                                                      
REMARK 465     ARG A   170                                                      
REMARK 465     LEU A   171                                                      
REMARK 465     GLN A   193                                                      
REMARK 465     ARG A   194                                                      
REMARK 465     ASN A   195                                                      
REMARK 465     VAL A   196                                                      
REMARK 465     ASN A   197                                                      
REMARK 465     GLU A   198                                                      
REMARK 465     ASN A   199                                                      
REMARK 465     PHE A   200                                                      
REMARK 465     GLY A   201                                                      
REMARK 465     PRO A   202                                                      
REMARK 465     ASN A   203                                                      
REMARK 465     GLY A   223                                                      
REMARK 465     THR A   224                                                      
REMARK 465     PRO A   225                                                      
REMARK 465     GLU A   226                                                      
REMARK 465     PRO A   227                                                      
REMARK 465     GLY A   228                                                      
REMARK 465     PRO A   229                                                      
REMARK 465     LEU A   230                                                      
REMARK 465     ASN A   231                                                      
REMARK 465     ALA A   232                                                      
REMARK 465     THR A   233                                                      
REMARK 465     ASP A   234                                                      
REMARK 465     GLU A   235                                                      
REMARK 465     ARG A   236                                                      
REMARK 465     HIS A   237                                                      
REMARK 465     HIS A   238                                                      
REMARK 465     ASP A   378                                                      
REMARK 465     LYS A   379                                                      
REMARK 465     HIS A   380                                                      
REMARK 465     GLU A   381                                                      
REMARK 465     GLU A   382                                                      
REMARK 465     ASN A   383                                                      
REMARK 465     HIS A   384                                                      
REMARK 465     MET A   427                                                      
REMARK 465     VAL A   428                                                      
REMARK 465     ARG A   429                                                      
REMARK 465     ASN A   430                                                      
REMARK 465     ASP A   431                                                      
REMARK 465     SER A   432                                                      
REMARK 465     PRO A   433                                                      
REMARK 465     CYS A   434                                                      
REMARK 465     GLY A   435                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A  33    CG   CD   OE1  OE2                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OD1  ASP A   154     NH2  ARG A   184              2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    HIS A  54   CG    HIS A  54   CD2     0.060                       
REMARK 500    HIS A  69   CG    HIS A  69   CD2     0.062                       
REMARK 500    HIS A 191   CG    HIS A 191   CD2     0.055                       
REMARK 500    HIS A 288   CG    HIS A 288   CD2     0.066                       
REMARK 500    HIS A 461   CG    HIS A 461   CD2     0.059                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A 343   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500    ASP A 452   CB  -  CG  -  OD2 ANGL. DEV. =  -7.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLU A  82       -7.13     73.10                                   
REMARK 500    SER A  91       12.50     55.23                                   
REMARK 500    ASP A 179       44.40    -88.97                                   
REMARK 500    HIS A 389      -21.36     72.94                                   
REMARK 500    GLN A 400       51.86     -5.44                                   
REMARK 500    HIS A 461       -0.11     94.37                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 502  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A 323   OE2                                                    
REMARK 620 2 ASP A 285   OD2  96.6                                              
REMARK 620 3 HIS A 461   NE2 103.2  92.4                                        
REMARK 620 4 HOH A 773   O   128.8  92.6 126.7                                  
REMARK 620 5 GLU A 323   OE1  52.2 146.0  83.7 116.8                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 501  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A 367   OD1                                                    
REMARK 620 2 ASP A 285   OD1  96.0                                              
REMARK 620 3 HIS A 115   NE2 104.6  89.8                                        
REMARK 620 4 HOH A 773   O   115.3 107.5 133.8                                  
REMARK 620 5 ASP A 367   OD2  56.0 151.3  91.8  91.8                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 501                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 502                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3VAT   RELATED DB: PDB                                   
REMARK 900 ZNMG FORM                                                            
DBREF  3VAR A   28   496  UNP    Q2HJH1   DNPEP_BOVIN      3    471             
SEQADV 3VAR MET A    1  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR MET A    2  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR SER A    3  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR TYR A    4  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR TYR A    5  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A    6  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A    7  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A    8  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A    9  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A   10  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR HIS A   11  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR ASP A   12  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR TYR A   13  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR ASP A   14  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR ILE A   15  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR PRO A   16  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR THR A   17  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR THR A   18  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR GLU A   19  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR ASN A   20  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR LEU A   21  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR TYR A   22  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR PHE A   23  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR GLN A   24  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR GLY A   25  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR ALA A   26  UNP  Q2HJH1              EXPRESSION TAG                 
SEQADV 3VAR MET A   27  UNP  Q2HJH1              EXPRESSION TAG                 
SEQRES   1 A  496  MET MET SER TYR TYR HIS HIS HIS HIS HIS HIS ASP TYR          
SEQRES   2 A  496  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 A  496  MET GLY ARG ALA ARG LYS GLU ALA VAL GLN ALA ALA ALA          
SEQRES   4 A  496  ARG GLU LEU LEU LYS PHE VAL ASN ARG SER PRO SER PRO          
SEQRES   5 A  496  PHE HIS ALA VAL ALA GLU CYS ARG SER ARG LEU LEU GLN          
SEQRES   6 A  496  ALA GLY PHE HIS GLU LEU LYS GLU THR GLU SER TRP ASP          
SEQRES   7 A  496  ILE LYS PRO GLU SER LYS TYR PHE LEU THR ARG ASN SER          
SEQRES   8 A  496  SER THR ILE ILE ALA PHE ALA VAL GLY GLY GLN TYR VAL          
SEQRES   9 A  496  PRO GLY ASN GLY PHE SER LEU ILE GLY ALA HIS THR ASP          
SEQRES  10 A  496  SER PRO CYS LEU ARG VAL LYS ARG ARG SER ARG ARG SER          
SEQRES  11 A  496  GLN VAL GLY PHE GLN GLN VAL GLY VAL GLU THR TYR GLY          
SEQRES  12 A  496  GLY GLY ILE TRP SER THR TRP PHE ASP ARG ASP LEU THR          
SEQRES  13 A  496  LEU ALA GLY ARG VAL ILE VAL LYS CYS PRO THR SER GLY          
SEQRES  14 A  496  ARG LEU GLU GLN ARG LEU VAL HIS VAL ASP ARG PRO ILE          
SEQRES  15 A  496  LEU ARG ILE PRO HIS LEU ALA ILE HIS LEU GLN ARG ASN          
SEQRES  16 A  496  VAL ASN GLU ASN PHE GLY PRO ASN MET GLU MET HIS LEU          
SEQRES  17 A  496  VAL PRO ILE LEU ALA THR SER ILE GLN GLU GLU LEU GLU          
SEQRES  18 A  496  LYS GLY THR PRO GLU PRO GLY PRO LEU ASN ALA THR ASP          
SEQRES  19 A  496  GLU ARG HIS HIS SER VAL LEU THR SER LEU LEU CYS ALA          
SEQRES  20 A  496  HIS LEU GLY LEU SER PRO GLU ASP ILE LEU GLU MET GLU          
SEQRES  21 A  496  LEU CYS LEU ALA ASP THR GLN PRO ALA VAL LEU GLY GLY          
SEQRES  22 A  496  ALA TYR GLU GLU PHE ILE PHE ALA PRO ARG LEU ASP ASN          
SEQRES  23 A  496  LEU HIS SER CYS PHE CYS ALA LEU GLN ALA LEU ILE ASP          
SEQRES  24 A  496  SER CYS SER ALA PRO ALA SER LEU ALA ALA ASP PRO HIS          
SEQRES  25 A  496  VAL ARG MET ILE ALA LEU TYR ASP ASN GLU GLU VAL GLY          
SEQRES  26 A  496  SER GLU SER ALA GLN GLY ALA GLN SER LEU LEU THR GLU          
SEQRES  27 A  496  LEU VAL LEU ARG ARG ILE SER ALA SER PRO GLN HIS LEU          
SEQRES  28 A  496  THR ALA PHE GLU GLU ALA ILE PRO LYS SER TYR MET ILE          
SEQRES  29 A  496  SER ALA ASP MET ALA HIS ALA VAL HIS PRO ASN TYR LEU          
SEQRES  30 A  496  ASP LYS HIS GLU GLU ASN HIS ARG PRO LEU PHE HIS LYS          
SEQRES  31 A  496  GLY PRO VAL ILE LYS VAL ASN SER LYS GLN ARG TYR ALA          
SEQRES  32 A  496  SER ASN ALA VAL SER GLU ALA LEU ILE ARG GLU VAL ALA          
SEQRES  33 A  496  SER SER VAL GLY VAL PRO LEU GLN ASP LEU MET VAL ARG          
SEQRES  34 A  496  ASN ASP SER PRO CYS GLY THR THR ILE GLY PRO ILE LEU          
SEQRES  35 A  496  ALA SER ARG LEU GLY LEU ARG VAL LEU ASP LEU GLY SER          
SEQRES  36 A  496  PRO GLN LEU ALA MET HIS SER ILE ARG GLU THR ALA CYS          
SEQRES  37 A  496  THR THR GLY VAL LEU GLN THR ILE THR LEU PHE LYS GLY          
SEQRES  38 A  496  PHE PHE GLU LEU PHE PRO SER LEU SER ARG SER LEU LEU          
SEQRES  39 A  496  VAL ASP                                                      
HET     ZN  A 501       1                                                       
HET     ZN  A 502       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    2(ZN 2+)                                                     
FORMUL   4  HOH   *173(H2 O)                                                    
HELIX    1   1 ARG A   29  ARG A   48  1                                  20    
HELIX    2   2 SER A   51  ALA A   66  1                                  16    
HELIX    3   3 ILE A  146  PHE A  151  5                                   6    
HELIX    4   4 MET A  204  VAL A  209  5                                   6    
HELIX    5   5 SER A  215  LYS A  222  1                                   8    
HELIX    6   6 VAL A  240  GLY A  250  1                                  11    
HELIX    7   7 SER A  252  ILE A  256  5                                   5    
HELIX    8   8 ARG A  283  CYS A  301  1                                  19    
HELIX    9   9 PRO A  304  ASP A  310  1                                   7    
HELIX   10  10 ASN A  321  GLY A  325  5                                   5    
HELIX   11  11 LEU A  335  ALA A  346  1                                  12    
HELIX   12  12 THR A  352  ILE A  358  1                                   7    
HELIX   13  13 PRO A  359  SER A  361  5                                   3    
HELIX   14  14 ASN A  405  GLY A  420  1                                  16    
HELIX   15  15 THR A  437  GLY A  447  1                                  11    
HELIX   16  16 THR A  469  SER A  492  1                                  24    
SHEET    1   A 9 HIS A  69  GLU A  70  0                                        
SHEET    2   A 9 LYS A  84  ARG A  89  1  O  LYS A  84   N  HIS A  69           
SHEET    3   A 9 THR A  93  VAL A  99 -1  O  PHE A  97   N  TYR A  85           
SHEET    4   A 9 VAL A 313  TYR A 319 -1  O  LEU A 318   N  ILE A  94           
SHEET    5   A 9 PHE A 109  HIS A 115  1  N  SER A 110   O  MET A 315           
SHEET    6   A 9 TYR A 362  ALA A 366  1  O  TYR A 362   N  LEU A 111           
SHEET    7   A 9 VAL A 450  GLY A 454  1  O  LEU A 451   N  SER A 365           
SHEET    8   A 9 VAL A 393  ILE A 394 -1  N  VAL A 393   O  GLY A 454           
SHEET    9   A 9 GLN A 424  ASP A 425  1  O  GLN A 424   N  ILE A 394           
SHEET    1   B 2 CYS A 120  VAL A 123  0                                        
SHEET    2   B 2 VAL A 139  TYR A 142 -1  O  GLU A 140   N  ARG A 122           
SHEET    1   C 3 SER A 130  GLN A 131  0                                        
SHEET    2   C 3 PHE A 134  GLN A 136 -1  O  PHE A 134   N  GLN A 131           
SHEET    3   C 3 ILE A 211  THR A 214 -1  O  ALA A 213   N  GLN A 135           
SHEET    1   D 3 ARG A 174  HIS A 177  0                                        
SHEET    2   D 3 LEU A 155  ILE A 162 -1  N  GLY A 159   O  VAL A 176           
SHEET    3   D 3 GLU A 258  ASP A 265 -1  O  ALA A 264   N  THR A 156           
SHEET    1   E 5 VAL A 270  GLY A 272  0                                        
SHEET    2   E 5 PHE A 278  ALA A 281 -1  O  PHE A 280   N  VAL A 270           
SHEET    3   E 5 GLU A 465  CYS A 468 -1  O  ALA A 467   N  ILE A 279           
SHEET    4   E 5 PRO A 456  LEU A 458 -1  N  LEU A 458   O  THR A 466           
SHEET    5   E 5 ALA A 369  HIS A 370  1  N  ALA A 369   O  GLN A 457           
LINK         OE2 GLU A 323                ZN    ZN A 502     1555   1555  2.03  
LINK         OD1 ASP A 367                ZN    ZN A 501     1555   1555  2.10  
LINK         OD1 ASP A 285                ZN    ZN A 501     1555   1555  2.12  
LINK         OD2 ASP A 285                ZN    ZN A 502     1555   1555  2.15  
LINK         NE2 HIS A 461                ZN    ZN A 502     1555   1555  2.19  
LINK         NE2 HIS A 115                ZN    ZN A 501     1555   1555  2.21  
LINK        ZN    ZN A 502                 O   HOH A 773     1555   1555  2.29  
LINK        ZN    ZN A 501                 O   HOH A 773     1555   1555  2.48  
LINK         OD2 ASP A 367                ZN    ZN A 501     1555   1555  2.49  
LINK         OE1 GLU A 323                ZN    ZN A 502     1555   1555  2.67  
CISPEP   1 ASP A  285    ASN A  286          0        10.58                     
SITE     1 AC1  5 HIS A 115  ASP A 285  ASP A 367   ZN A 502                    
SITE     2 AC1  5 HOH A 773                                                     
SITE     1 AC2  5 ASP A 285  GLU A 323  HIS A 461   ZN A 501                    
SITE     2 AC2  5 HOH A 773                                                     
CRYST1  245.162  245.162  245.162  90.00  90.00  90.00 F 4 3 2      96          
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      0.004079  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.004079  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004079        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system