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Database: PDB
Entry: 1Y7E
LinkDB: 1Y7E
Original site: 1Y7E 
HEADER    HYDROLASE                               08-DEC-04   1Y7E              
TITLE     THE CRYSTAL STRUCTURE OF AMINOPEPTIDASE I FROM BORRELIA BURGDORFERI   
TITLE    2 B31                                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROBABLE M18-FAMILY AMINOPEPTIDASE 1;                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 3.4.11.-;                                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI;                           
SOURCE   3 ORGANISM_COMMON: LYME DISEASE SPIROCHETE;                            
SOURCE   4 ORGANISM_TAXID: 139;                                                 
SOURCE   5 GENE: APEA;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET26B                                    
KEYWDS    AMINOPEPTIDASE I, BORRELIA BURGDORFERI B31, YSCI, STRUCTURAL          
KEYWDS   2 GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, NEW YORK SGX RESEARCH   
KEYWDS   3 CENTER FOR STRUCTURAL GENOMICS, NYSGXRC, HYDROLASE                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.MIN,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR  
AUTHOR   2 STRUCTURAL GENOMICS (NYSGXRC)                                        
REVDAT   3   13-JUL-11 1Y7E    1       VERSN                                    
REVDAT   2   24-FEB-09 1Y7E    1       VERSN                                    
REVDAT   1   04-JAN-05 1Y7E    0                                                
JRNL        AUTH   T.MIN,J.GORMAN,L.SHAPIRO                                     
JRNL        TITL   THE CRYSTAL STRUCTURE OF AMINOPEPTIDASE I (YSCI) FROM        
JRNL        TITL 2 BORRELIA BURGDORFERI                                         
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.81                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 203719.540                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 95.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 18446                          
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 SET) : 0.202                           
REMARK   3   FREE R VALUE                     : 0.258                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.700                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 870                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.009                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 3.20                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.40                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 90.90                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 2793                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2160                       
REMARK   3   BIN FREE R VALUE                    : 0.3290                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.50                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 132                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.029                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3232                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 64                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.50                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.00000                                              
REMARK   3    B22 (A**2) : 0.00000                                              
REMARK   3    B33 (A**2) : 0.00000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.29                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.24                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.44                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.39                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.60                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 23.10                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.93                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : GROUP                                     
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.30                                                 
REMARK   3   BSOL        : 10.36                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1Y7E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-DEC-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB031209.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-NOV-04                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X29A                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.98                               
REMARK 200  MONOCHROMATOR                  : SI(111)DOUBLE CRYSTAL              
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTAM Q315                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : CBASS                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32224                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 7.800                              
REMARK 200  R MERGE                    (I) : 0.09400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.31                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.23300                            
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: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 61.75                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.24                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10% PEG 4K, 0.1M BIS-TRIS, 0.2M MGCL2,   
REMARK 280  PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K             
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      122.13550            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  49  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  49  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  49  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  50 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  50  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  50  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  51 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  51  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  51  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  52  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  52  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  52  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  53  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  53  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  53  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  54  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  54 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  54  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  55  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  55 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  55  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  56  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  56  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  56  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  57  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  57  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  57  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  58  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  58  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  58 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  59  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  59  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  59 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  60  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  60  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  60  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  61  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  61  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  61  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  62  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  62 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  62  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY1  63  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  63 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  63  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  64  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  64  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  64  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY1  65  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  65  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  65  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  66 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  66  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  66  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  67 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  67  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  67  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  68  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  68  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  68  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY1  69  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  69  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  69 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  70  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  70  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  70  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  71  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  71  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  71  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  72  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  72  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  72 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY1  73  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  73  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  73  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  74 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  74  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  74  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  75 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  75  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  75  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  76  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  76  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  76  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  77  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  77  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  77  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  78  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  78 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  78  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  79  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  79 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  79  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  80  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  80  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  80  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  81  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  81  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  81  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  82  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  82  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  82 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  83  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  83  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  83 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  84  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  84  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  84  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  85  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  85  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  85  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  86  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  86 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  86  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  87  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  87 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  87  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  88  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY2  88  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY3  88  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  89  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  89  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  89  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  90 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  90  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY3  90  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  91 -1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  91  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  91  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  92  1.000000  0.000000  0.000000      122.13550            
REMARK 290   SMTRY2  92  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY3  92  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  93  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  93  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  93 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  94  0.000000  0.000000  1.000000      122.13550            
REMARK 290   SMTRY2  94  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  94  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  95  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  95  0.000000  1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  95  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  96  0.000000  0.000000 -1.000000      122.13550            
REMARK 290   SMTRY2  96  0.000000 -1.000000  0.000000      122.13550            
REMARK 290   SMTRY3  96 -1.000000  0.000000  0.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: MONOMERIC                         
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                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC                
REMARK 350 SOFTWARE USED: PISA,PQS                                              
REMARK 350 TOTAL BURIED SURFACE AREA: 64900 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 171230 ANGSTROM**2                      
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -300.0 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      122.13550            
REMARK 350   BIOMT3   4  0.000000  0.000000 -1.000000      122.13550            
REMARK 350   BIOMT1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   5 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT3   5  0.000000 -1.000000  0.000000      122.13550            
REMARK 350   BIOMT1   6  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   6  0.000000  0.000000 -1.000000      122.13550            
REMARK 350   BIOMT3   6 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT1   7 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT2   7  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   7  0.000000  0.000000 -1.000000      122.13550            
REMARK 350   BIOMT1   8  0.000000  0.000000 -1.000000      122.13550            
REMARK 350   BIOMT2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   8  0.000000 -1.000000  0.000000      122.13550            
REMARK 350   BIOMT1   9  0.000000 -1.000000  0.000000      122.13550            
REMARK 350   BIOMT2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   9 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT1  10 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT2  10  0.000000 -1.000000  0.000000      122.13550            
REMARK 350   BIOMT3  10  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1  11  0.000000  0.000000 -1.000000      122.13550            
REMARK 350   BIOMT2  11 -1.000000  0.000000  0.000000      122.13550            
REMARK 350   BIOMT3  11  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  12  0.000000 -1.000000  0.000000      122.13550            
REMARK 350   BIOMT2  12  0.000000  0.000000 -1.000000      122.13550            
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     LYS A     2                                                      
REMARK 465     LYS A     3                                                      
REMARK 465     PRO A   169                                                      
REMARK 465     HIS A   170                                                      
REMARK 465     LEU A   171                                                      
REMARK 465     ASP A   172                                                      
REMARK 465     ARG A   173                                                      
REMARK 465     LYS A   174                                                      
REMARK 465     ILE A   175                                                      
REMARK 465     GLN A   176                                                      
REMARK 465     ARG A   177                                                      
REMARK 465     ASN A   178                                                      
REMARK 465     LYS A   179                                                      
REMARK 465     LYS A   180                                                      
REMARK 465     SER A   181                                                      
REMARK 465     ASP A   182                                                      
REMARK 465     GLU A   183                                                      
REMARK 465     ILE A   184                                                      
REMARK 465     VAL A   185                                                      
REMARK 465     GLU A   186                                                      
REMARK 465     GLY A   187                                                      
REMARK 465     GLU A   188                                                      
REMARK 465     GLY A   289                                                      
REMARK 465     SER A   290                                                      
REMARK 465     THR A   291                                                      
REMARK 465     GLY A   292                                                      
REMARK 465     SER A   293                                                      
REMARK 465     THR A   294                                                      
REMARK 465     GLY A   295                                                      
REMARK 465     LEU A   296                                                      
REMARK 465     LEU A   343                                                      
REMARK 465     PHE A   344                                                      
REMARK 465     SER A   345                                                      
REMARK 465     SER A   346                                                      
REMARK 465     VAL A   347                                                      
REMARK 465     HIS A   348                                                      
REMARK 465     ASP A   349                                                      
REMARK 465     GLY A   367                                                      
REMARK 465     HIS A   368                                                      
REMARK 465     GLY A   369                                                      
REMARK 465     GLY A   370                                                      
REMARK 465     LYS A   371                                                      
REMARK 465     SER A   372                                                      
REMARK 465     MET A   373                                                      
REMARK 465     ALA A   374                                                      
REMARK 465     SER A   375                                                      
REMARK 465     ASP A   376                                                      
REMARK 465     ALA A   377                                                      
REMARK 465     VAL A   404                                                      
REMARK 465     GLU A   405                                                      
REMARK 465     GLU A   406                                                      
REMARK 465     GLY A   407                                                      
REMARK 465     GLY A   408                                                      
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.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED 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 A   465     O    HOH A   465    74555     1.88            
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    ASN A   5      102.79     50.02                                   
REMARK 500    PRO A   6      -37.98    -38.34                                   
REMARK 500    GLU A  13      -78.60    -54.95                                   
REMARK 500    PHE A  28      -70.69    -77.49                                   
REMARK 500    LYS A  48     -169.75    -79.57                                   
REMARK 500    LEU A  49      -16.49     59.78                                   
REMARK 500    CYS A  70      -87.49    -90.03                                   
REMARK 500    ARG A  71       70.30   -154.27                                   
REMARK 500    GLU A  72        4.64     51.38                                   
REMARK 500    ALA A  76      -91.87    -98.83                                   
REMARK 500    PHE A  77      100.92     82.09                                   
REMARK 500    VAL A  93      111.30     48.13                                   
REMARK 500    ARG A 100     -159.06   -152.99                                   
REMARK 500    ASP A 102      100.87     55.76                                   
REMARK 500    THR A 119      151.48     80.16                                   
REMARK 500    LYS A 127      -72.59      9.23                                   
REMARK 500    ASN A 156      153.81     75.04                                   
REMARK 500    ASN A 158       -5.14     68.53                                   
REMARK 500    PRO A 165      166.86    -48.49                                   
REMARK 500    ILE A 167     -140.97    -96.65                                   
REMARK 500    SER A 196     -148.96   -122.29                                   
REMARK 500    LEU A 197      115.09     34.76                                   
REMARK 500    LYS A 204     -106.12    -48.81                                   
REMARK 500    GLU A 224      -32.20    104.71                                   
REMARK 500    SER A 228     -147.20     52.88                                   
REMARK 500    SER A 229      160.00     49.07                                   
REMARK 500    ASP A 255       97.52    -58.40                                   
REMARK 500    ASP A 256      -11.54     72.24                                   
REMARK 500    ASP A 269       67.17    -21.71                                   
REMARK 500    GLU A 271     -151.40   -162.60                                   
REMARK 500    THR A 273      126.17    -31.36                                   
REMARK 500    LYS A 276      114.03     75.68                                   
REMARK 500    PHE A 281      -92.43    -49.90                                   
REMARK 500    LEU A 282       90.75     90.70                                   
REMARK 500    LYS A 314     -101.11    -55.41                                   
REMARK 500    SER A 315       -6.80    -54.17                                   
REMARK 500    ASN A 318      124.33    174.20                                   
REMARK 500    HIS A 321     -163.53    -75.92                                   
REMARK 500    VAL A 322      -71.73     59.43                                   
REMARK 500    SER A 329      147.73    -27.58                                   
REMARK 500    ASP A 335      112.55     -7.50                                   
REMARK 500    VAL A 336      176.99    -55.57                                   
REMARK 500    ALA A 339     -153.01   -125.93                                   
REMARK 500    ASN A 341     -112.19    -90.25                                   
REMARK 500    LYS A 414     -167.89    -65.48                                   
REMARK 500    PHE A 415      -58.30     64.22                                   
REMARK 500    PRO A 428     -169.23    -57.20                                   
REMARK 500    TYR A 452     -179.82    -68.88                                   
REMARK 500    LYS A 453      -73.70     67.64                                   
REMARK 500    ARG A 457       31.03    -95.63                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: NYSGXRC-T1808   RELATED DB: TARGETDB                     
DBREF  1Y7E A    1   458  UNP    Q45055   APEA_BORBU       1    458             
SEQADV 1Y7E MSE A   61  UNP  Q45055    MET    61 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A   89  UNP  Q45055    MET    89 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A  308  UNP  Q45055    MET   308 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A  363  UNP  Q45055    MET   363 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A  426  UNP  Q45055    MET   426 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A  433  UNP  Q45055    MET   433 MODIFIED RESIDUE               
SEQADV 1Y7E MSE A  437  UNP  Q45055    MET   437 MODIFIED RESIDUE               
SEQRES   1 A  458  MET LYS LYS GLN ASN PRO TRP ILE TYR LEU ASN GLU GLU          
SEQRES   2 A  458  GLU LYS ASN GLN ILE LEU ASN PHE SER GLU SER TYR LYS          
SEQRES   3 A  458  LYS PHE ILE SER LYS PHE LYS THR GLU ARG GLU VAL THR          
SEQRES   4 A  458  ALA TYR ALA LEU ASP LYS ALA LYS LYS LEU GLY PHE ILE          
SEQRES   5 A  458  ASN ALA GLU GLU LYS LYS ASN LEU MSE PRO GLY ASP LYS          
SEQRES   6 A  458  ILE PHE TYR THR CYS ARG GLU LYS SER VAL ALA PHE ALA          
SEQRES   7 A  458  ILE ILE GLY LYS ASN PRO ILE GLU ASP GLY MSE ASN PHE          
SEQRES   8 A  458  ILE VAL SER HIS THR ASP SER PRO ARG LEU ASP ALA LYS          
SEQRES   9 A  458  PRO SER PRO ILE SER GLU GLU ASN GLU LEU THR PHE ILE          
SEQRES  10 A  458  LYS THR ASN TYR TYR GLY GLY ILE LYS LYS TYR GLN TRP          
SEQRES  11 A  458  LEU SER THR PRO LEU SER ILE ARG GLY VAL VAL PHE LEU          
SEQRES  12 A  458  LYS ASN GLY GLU LYS VAL GLU ILE ASN ILE GLY ASP ASN          
SEQRES  13 A  458  GLU ASN ASP PRO VAL PHE VAL ILE PRO ASP ILE LEU PRO          
SEQRES  14 A  458  HIS LEU ASP ARG LYS ILE GLN ARG ASN LYS LYS SER ASP          
SEQRES  15 A  458  GLU ILE VAL GLU GLY GLU ASN LEU LYS ILE LEU ILE GLY          
SEQRES  16 A  458  SER LEU PRO ILE GLU THR LYS GLU LYS ASN LYS VAL LYS          
SEQRES  17 A  458  LEU ALA THR LEU GLN LEU ILE LYS GLU LYS TYR LYS ILE          
SEQRES  18 A  458  GLU GLU GLU ASP PHE VAL SER SER GLU ILE GLU ILE VAL          
SEQRES  19 A  458  PRO ALA GLY THR ALA LYS ASP VAL GLY PHE ASP LYS ALA          
SEQRES  20 A  458  LEU ILE GLY ALA TYR GLY GLN ASP ASP LYS ILE CYS VAL          
SEQRES  21 A  458  PHE THR SER LEU GLU SER ILE PHE ASP LEU GLU GLU THR          
SEQRES  22 A  458  PRO ASN LYS THR ALA ILE CYS PHE LEU VAL ASP LYS GLU          
SEQRES  23 A  458  GLU ILE GLY SER THR GLY SER THR GLY LEU ASP SER ARG          
SEQRES  24 A  458  TYR LEU GLU TYR PHE VAL SER ASP MSE ILE PHE LYS ILE          
SEQRES  25 A  458  LYS LYS SER GLU TYR ASN ASN LEU HIS VAL GLN LYS ALA          
SEQRES  26 A  458  LEU TRP ASN SER LYS SER ILE SER ALA ASP VAL CYS ALA          
SEQRES  27 A  458  ALA ILE ASN PRO LEU PHE SER SER VAL HIS ASP GLU GLN          
SEQRES  28 A  458  ASN ALA PRO GLN LEU GLY TYR GLY ILE PRO ILE MSE LYS          
SEQRES  29 A  458  TYR THR GLY HIS GLY GLY LYS SER MET ALA SER ASP ALA          
SEQRES  30 A  458  ASP ALA GLU LEU VAL SER TYR ILE ARG GLN LEU LEU ASN          
SEQRES  31 A  458  LYS ASN ASN ILE ALA TRP GLN VAL ALA THR LEU GLY LYS          
SEQRES  32 A  458  VAL GLU GLU GLY GLY GLY GLY THR VAL ALA LYS PHE LEU          
SEQRES  33 A  458  ALA GLY TYR GLY ILE ARG THR ILE ASP MSE GLY PRO ALA          
SEQRES  34 A  458  VAL ILE SER MSE HIS SER PRO MSE GLU ILE THR SER LYS          
SEQRES  35 A  458  PHE ASP LEU TYR ASN ALA TYR LEU ALA TYR LYS ALA PHE          
SEQRES  36 A  458  TYR ARG GLU                                                  
MODRES 1Y7E MSE A   61  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A   89  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A  308  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A  363  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A  426  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A  433  MET  SELENOMETHIONINE                                   
MODRES 1Y7E MSE A  437  MET  SELENOMETHIONINE                                   
HET    MSE  A  61       8                                                       
HET    MSE  A  89       8                                                       
HET    MSE  A 308       8                                                       
HET    MSE  A 363       8                                                       
HET    MSE  A 426       8                                                       
HET    MSE  A 433       8                                                       
HET    MSE  A 437       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    7(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *64(H2 O)                                                     
HELIX    1   1 ASN A    5  LEU A   10  5                                   6    
HELIX    2   2 ASN A   11  PHE A   32  1                                  22    
HELIX    3   3 THR A   34  LYS A   48  1                                  15    
HELIX    4   4 PRO A   84  GLY A   88  5                                   5    
HELIX    5   5 LYS A  126  LEU A  131  5                                   6    
HELIX    6   6 ASN A  205  LYS A  220  1                                  16    
HELIX    7   7 GLY A  253  PHE A  268  1                                  16    
HELIX    8   8 ARG A  299  LYS A  313  1                                  15    
HELIX    9   9 ASN A  319  SER A  329  1                                  11    
HELIX   10  10 ASP A  378  ASN A  393  1                                  16    
HELIX   11  11 GLY A  409  ALA A  417  1                                   9    
HELIX   12  12 GLY A  418  GLY A  420  5                                   3    
HELIX   13  13 LYS A  442  PHE A  455  1                                  14    
SHEET    1   A 9 ILE A  52  ASN A  53  0                                        
SHEET    2   A 9 LYS A  65  PHE A  67  1  O  LYS A  65   N  ILE A  52           
SHEET    3   A 9 ALA A  78  ILE A  79 -1  O  ALA A  78   N  ILE A  66           
SHEET    4   A 9 ALA A 278  ILE A 279 -1  O  ALA A 278   N  ILE A  79           
SHEET    5   A 9 ASN A  90  PHE A  91  1  N  ASN A  90   O  ILE A 279           
SHEET    6   A 9 LYS A 330  SER A 333  1  O  ILE A 332   N  PHE A  91           
SHEET    7   A 9 ARG A 422  MSE A 426  1  O  ARG A 422   N  SER A 331           
SHEET    8   A 9 ILE A 360  TYR A 365 -1  N  MSE A 363   O  ASP A 425           
SHEET    9   A 9 TRP A 396  LEU A 401  1  O  GLN A 397   N  ILE A 362           
SHEET    1   B 3 SER A 109  GLU A 111  0                                        
SHEET    2   B 3 LEU A 114  ILE A 117 -1  O  PHE A 116   N  SER A 109           
SHEET    3   B 3 ILE A 192  GLY A 195 -1  O  ILE A 194   N  THR A 115           
SHEET    1   C 3 LYS A 148  ILE A 153  0                                        
SHEET    2   C 3 LEU A 135  PHE A 142 -1  N  VAL A 141   O  VAL A 149           
SHEET    3   C 3 GLU A 230  PRO A 235 -1  O  VAL A 234   N  SER A 136           
SHEET    1   D 3 LYS A 240  VAL A 242  0                                        
SHEET    2   D 3 LEU A 248  ALA A 251 -1  O  LEU A 248   N  VAL A 242           
SHEET    3   D 3 GLU A 438  SER A 441 -1  O  GLU A 438   N  ALA A 251           
SHEET    1   E 2 CYS A 337  ALA A 338  0                                        
SHEET    2   E 2 ALA A 429  VAL A 430  1  O  VAL A 430   N  CYS A 337           
LINK         C   LEU A  60                 N   MSE A  61     1555   1555  1.33  
LINK         C   MSE A  61                 N   PRO A  62     1555   1555  1.34  
LINK         C   GLY A  88                 N   MSE A  89     1555   1555  1.33  
LINK         C   MSE A  89                 N   ASN A  90     1555   1555  1.33  
LINK         C   ASP A 307                 N   MSE A 308     1555   1555  1.33  
LINK         C   MSE A 308                 N   ILE A 309     1555   1555  1.33  
LINK         C   ILE A 362                 N   MSE A 363     1555   1555  1.33  
LINK         C   MSE A 363                 N   LYS A 364     1555   1555  1.33  
LINK         C   ASP A 425                 N   MSE A 426     1555   1555  1.33  
LINK         C   MSE A 426                 N   GLY A 427     1555   1555  1.32  
LINK         C   SER A 432                 N   MSE A 433     1555   1555  1.33  
LINK         C   MSE A 433                 N   HIS A 434     1555   1555  1.33  
LINK         C   PRO A 436                 N   MSE A 437     1555   1555  1.33  
LINK         C   MSE A 437                 N   GLU A 438     1555   1555  1.33  
CISPEP   1 ASN A  341    PRO A  342          0        -0.24                     
CRYST1  244.271  244.271  244.271  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      0.004094  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.004094  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004094        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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