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Database: PDB
Entry: 2Z4R
LinkDB: 2Z4R
Original site: 2Z4R 
HEADER    DNA BINDING PROTEIN                     25-JUN-07   2Z4R              
TITLE     CRYSTAL STRUCTURE OF DOMAIN III FROM THE THERMOTOGA                   
TITLE    2 MARITIMA REPLICATION INITIATION PROTEIN DNAA                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CHROMOSOMAL REPLICATION INITIATOR PROTEIN DNAA;            
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA;                            
SOURCE   3 ORGANISM_TAXID: 2336;                                                
SOURCE   4 GENE: DNAA;                                                          
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: MC1061;                                    
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PBAD18                                    
KEYWDS    AAA+ ATPASE, DOMAIN III (ATPASE DOMAIN), ATP-BINDING,                 
KEYWDS   2 CYTOPLASM, DNA REPLICATION, DNA-BINDING, NUCLEOTIDE-BINDING,         
KEYWDS   3 DNA BINDING PROTEIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL           
KEYWDS   4 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
KEYWDS   5 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.FUJIKAWA,S.OZAKI,W.KAGAWA,S.-Y.PARK,T.KATAYAMA,                     
AUTHOR   2 H.KURUMIZAKA,S.YOKOYAMA,RIKEN STRUCTURAL                             
AUTHOR   3 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
REVDAT   3   24-FEB-09 2Z4R    1       VERSN                                    
REVDAT   2   08-APR-08 2Z4R    1       JRNL                                     
REVDAT   1   19-FEB-08 2Z4R    0                                                
JRNL        AUTH   S.OZAKI,H.KAWAKAMI,K.NAKAMURA,N.FUJIKAWA,W.KAGAWA,           
JRNL        AUTH 2 S.-Y.PARK,S.YOKOYAMA,H.KURUMIZAKA,T.KATAYAMA                 
JRNL        TITL   A COMMON MECHANISM FOR THE ATP-DNAA-DEPENDENT                
JRNL        TITL 2 FORMATION OF OPEN COMPLEXES AT THE REPLICATION               
JRNL        TITL 3 ORIGIN                                                       
JRNL        REF    J.BIOL.CHEM.                  V. 283  8351 2008              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   18216012                                                     
JRNL        DOI    10.1074/JBC.M708684200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.05 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) : 3.05                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.12                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 94.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 27730                          
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) : 0.231                           
REMARK   3   FREE R VALUE                     : 0.264                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 2761                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
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) : 3.05                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.24                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3620                       
REMARK   3   BIN FREE R VALUE                    : 0.4000                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 386                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 5817                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 84                                      
REMARK   3   SOLVENT ATOMS            : 4                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
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 COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.40                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.57                            
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) : 0.46                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.64                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.38                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 21.90                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.00                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
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 : NULL                                                 
REMARK   3   KSOL        : NULL                                                 
REMARK   3   BSOL        : NULL                                                 
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  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2Z4R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-AUG-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB027519.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 20-DEC-04                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PHOTON FACTORY                     
REMARK 200  BEAMLINE                       : BL-5A                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : SI-111                             
REMARK 200  OPTICS                         : MONOCHROMATOR                      
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   : 27762                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.050                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.1                               
REMARK 200  DATA REDUNDANCY                : 3.900                              
REMARK 200  R MERGE                    (I) : 0.07000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.05                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.16                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 68.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.300                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1L8Q                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.92                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.6M LITHIUM SULFATE, 0.05M              
REMARK 280  MAGNESIUM SULFATE, 0.05M NA-HEPES PH 7.0, VAPOR DIFFUSION,          
REMARK 280  HANGING DROP, TEMPERATURE 293K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
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+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        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       66.66750            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000      110.89350            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       66.66750            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000      110.89350            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
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 300 REMARK: AUTHOR DETERMINED BIOLOGICAL UNIT: UNKNOWN                   
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
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: 3                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
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 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     GLU A     3                                                      
REMARK 465     ARG A     4                                                      
REMARK 465     ILE A     5                                                      
REMARK 465     LEU A     6                                                      
REMARK 465     GLN A     7                                                      
REMARK 465     GLU A     8                                                      
REMARK 465     ILE A     9                                                      
REMARK 465     LYS A    10                                                      
REMARK 465     THR A    11                                                      
REMARK 465     ARG A    12                                                      
REMARK 465     VAL A    13                                                      
REMARK 465     ASN A    14                                                      
REMARK 465     ARG A    15                                                      
REMARK 465     LYS A    16                                                      
REMARK 465     SER A    17                                                      
REMARK 465     TRP A    18                                                      
REMARK 465     GLU A    19                                                      
REMARK 465     LEU A    20                                                      
REMARK 465     TRP A    21                                                      
REMARK 465     PHE A    22                                                      
REMARK 465     SER A    23                                                      
REMARK 465     SER A    24                                                      
REMARK 465     PHE A    25                                                      
REMARK 465     ASP A    26                                                      
REMARK 465     VAL A    27                                                      
REMARK 465     LYS A    28                                                      
REMARK 465     SER A    29                                                      
REMARK 465     ILE A    30                                                      
REMARK 465     GLU A    31                                                      
REMARK 465     GLY A    32                                                      
REMARK 465     ASN A    33                                                      
REMARK 465     LYS A    34                                                      
REMARK 465     VAL A    35                                                      
REMARK 465     VAL A    36                                                      
REMARK 465     PHE A    37                                                      
REMARK 465     SER A    38                                                      
REMARK 465     VAL A    39                                                      
REMARK 465     GLY A    40                                                      
REMARK 465     ASN A    41                                                      
REMARK 465     LEU A    42                                                      
REMARK 465     PHE A    43                                                      
REMARK 465     ILE A    44                                                      
REMARK 465     LYS A    45                                                      
REMARK 465     GLU A    46                                                      
REMARK 465     TRP A    47                                                      
REMARK 465     LEU A    48                                                      
REMARK 465     GLU A    49                                                      
REMARK 465     LYS A    50                                                      
REMARK 465     LYS A    51                                                      
REMARK 465     TYR A    52                                                      
REMARK 465     TYR A    53                                                      
REMARK 465     SER A    54                                                      
REMARK 465     VAL A    55                                                      
REMARK 465     LEU A    56                                                      
REMARK 465     SER A    57                                                      
REMARK 465     LYS A    58                                                      
REMARK 465     ALA A    59                                                      
REMARK 465     VAL A    60                                                      
REMARK 465     LYS A    61                                                      
REMARK 465     VAL A    62                                                      
REMARK 465     VAL A    63                                                      
REMARK 465     LEU A    64                                                      
REMARK 465     GLY A    65                                                      
REMARK 465     ASN A    66                                                      
REMARK 465     ASP A    67                                                      
REMARK 465     ALA A    68                                                      
REMARK 465     THR A    69                                                      
REMARK 465     PHE A    70                                                      
REMARK 465     GLU A    71                                                      
REMARK 465     ILE A    72                                                      
REMARK 465     THR A    73                                                      
REMARK 465     TYR A    74                                                      
REMARK 465     GLU A    75                                                      
REMARK 465     ALA A    76                                                      
REMARK 465     PHE A    77                                                      
REMARK 465     GLU A    78                                                      
REMARK 465     PRO A    79                                                      
REMARK 465     HIS A    80                                                      
REMARK 465     SER A    81                                                      
REMARK 465     SER A    82                                                      
REMARK 465     TYR A    83                                                      
REMARK 465     SER A    84                                                      
REMARK 465     GLU A    85                                                      
REMARK 465     PRO A    86                                                      
REMARK 465     LEU A    87                                                      
REMARK 465     VAL A    88                                                      
REMARK 465     LYS A    89                                                      
REMARK 465     LYS A    90                                                      
REMARK 465     ARG A    91                                                      
REMARK 465     ALA A    92                                                      
REMARK 465     VAL A    93                                                      
REMARK 465     LEU A    94                                                      
REMARK 465     LEU A    95                                                      
REMARK 465     ASN A   336                                                      
REMARK 465     ARG A   337                                                      
REMARK 465     VAL A   338                                                      
REMARK 465     LYS A   339                                                      
REMARK 465     ALA A   340                                                      
REMARK 465     MET A   341                                                      
REMARK 465     ASP A   342                                                      
REMARK 465     PRO A   343                                                      
REMARK 465     ILE A   344                                                      
REMARK 465     ASP A   345                                                      
REMARK 465     GLU A   346                                                      
REMARK 465     LEU A   347                                                      
REMARK 465     ILE A   348                                                      
REMARK 465     GLU A   349                                                      
REMARK 465     ILE A   350                                                      
REMARK 465     VAL A   351                                                      
REMARK 465     ALA A   352                                                      
REMARK 465     LYS A   353                                                      
REMARK 465     VAL A   354                                                      
REMARK 465     THR A   355                                                      
REMARK 465     GLY A   356                                                      
REMARK 465     VAL A   357                                                      
REMARK 465     PRO A   358                                                      
REMARK 465     ARG A   359                                                      
REMARK 465     GLU A   360                                                      
REMARK 465     GLU A   361                                                      
REMARK 465     ILE A   362                                                      
REMARK 465     LEU A   363                                                      
REMARK 465     SER A   364                                                      
REMARK 465     ASN A   365                                                      
REMARK 465     SER A   366                                                      
REMARK 465     ARG A   367                                                      
REMARK 465     ASN A   368                                                      
REMARK 465     VAL A   369                                                      
REMARK 465     LYS A   370                                                      
REMARK 465     ALA A   371                                                      
REMARK 465     LEU A   372                                                      
REMARK 465     THR A   373                                                      
REMARK 465     ALA A   374                                                      
REMARK 465     ARG A   375                                                      
REMARK 465     ARG A   376                                                      
REMARK 465     ILE A   377                                                      
REMARK 465     GLY A   378                                                      
REMARK 465     MET A   379                                                      
REMARK 465     TYR A   380                                                      
REMARK 465     VAL A   381                                                      
REMARK 465     ALA A   382                                                      
REMARK 465     LYS A   383                                                      
REMARK 465     ASN A   384                                                      
REMARK 465     TYR A   385                                                      
REMARK 465     LEU A   386                                                      
REMARK 465     LYS A   387                                                      
REMARK 465     SER A   388                                                      
REMARK 465     SER A   389                                                      
REMARK 465     LEU A   390                                                      
REMARK 465     ARG A   391                                                      
REMARK 465     THR A   392                                                      
REMARK 465     ILE A   393                                                      
REMARK 465     ALA A   394                                                      
REMARK 465     GLU A   395                                                      
REMARK 465     LYS A   396                                                      
REMARK 465     PHE A   397                                                      
REMARK 465     ASN A   398                                                      
REMARK 465     ARG A   399                                                      
REMARK 465     SER A   400                                                      
REMARK 465     HIS A   401                                                      
REMARK 465     PRO A   402                                                      
REMARK 465     VAL A   403                                                      
REMARK 465     VAL A   404                                                      
REMARK 465     VAL A   405                                                      
REMARK 465     ASP A   406                                                      
REMARK 465     SER A   407                                                      
REMARK 465     VAL A   408                                                      
REMARK 465     LYS A   409                                                      
REMARK 465     LYS A   410                                                      
REMARK 465     VAL A   411                                                      
REMARK 465     LYS A   412                                                      
REMARK 465     ASP A   413                                                      
REMARK 465     SER A   414                                                      
REMARK 465     LEU A   415                                                      
REMARK 465     LEU A   416                                                      
REMARK 465     LYS A   417                                                      
REMARK 465     GLY A   418                                                      
REMARK 465     ASN A   419                                                      
REMARK 465     LYS A   420                                                      
REMARK 465     GLN A   421                                                      
REMARK 465     LEU A   422                                                      
REMARK 465     LYS A   423                                                      
REMARK 465     ALA A   424                                                      
REMARK 465     LEU A   425                                                      
REMARK 465     ILE A   426                                                      
REMARK 465     ASP A   427                                                      
REMARK 465     GLU A   428                                                      
REMARK 465     VAL A   429                                                      
REMARK 465     ILE A   430                                                      
REMARK 465     GLY A   431                                                      
REMARK 465     GLU A   432                                                      
REMARK 465     ILE A   433                                                      
REMARK 465     SER A   434                                                      
REMARK 465     ARG A   435                                                      
REMARK 465     ARG A   436                                                      
REMARK 465     ALA A   437                                                      
REMARK 465     LEU A   438                                                      
REMARK 465     SER A   439                                                      
REMARK 465     GLY A   440                                                      
REMARK 465     MET B     1                                                      
REMARK 465     LYS B     2                                                      
REMARK 465     GLU B     3                                                      
REMARK 465     ARG B     4                                                      
REMARK 465     ILE B     5                                                      
REMARK 465     LEU B     6                                                      
REMARK 465     GLN B     7                                                      
REMARK 465     GLU B     8                                                      
REMARK 465     ILE B     9                                                      
REMARK 465     LYS B    10                                                      
REMARK 465     THR B    11                                                      
REMARK 465     ARG B    12                                                      
REMARK 465     VAL B    13                                                      
REMARK 465     ASN B    14                                                      
REMARK 465     ARG B    15                                                      
REMARK 465     LYS B    16                                                      
REMARK 465     SER B    17                                                      
REMARK 465     TRP B    18                                                      
REMARK 465     GLU B    19                                                      
REMARK 465     LEU B    20                                                      
REMARK 465     TRP B    21                                                      
REMARK 465     PHE B    22                                                      
REMARK 465     SER B    23                                                      
REMARK 465     SER B    24                                                      
REMARK 465     PHE B    25                                                      
REMARK 465     ASP B    26                                                      
REMARK 465     VAL B    27                                                      
REMARK 465     LYS B    28                                                      
REMARK 465     SER B    29                                                      
REMARK 465     ILE B    30                                                      
REMARK 465     GLU B    31                                                      
REMARK 465     GLY B    32                                                      
REMARK 465     ASN B    33                                                      
REMARK 465     LYS B    34                                                      
REMARK 465     VAL B    35                                                      
REMARK 465     VAL B    36                                                      
REMARK 465     PHE B    37                                                      
REMARK 465     SER B    38                                                      
REMARK 465     VAL B    39                                                      
REMARK 465     GLY B    40                                                      
REMARK 465     ASN B    41                                                      
REMARK 465     LEU B    42                                                      
REMARK 465     PHE B    43                                                      
REMARK 465     ILE B    44                                                      
REMARK 465     LYS B    45                                                      
REMARK 465     GLU B    46                                                      
REMARK 465     TRP B    47                                                      
REMARK 465     LEU B    48                                                      
REMARK 465     GLU B    49                                                      
REMARK 465     LYS B    50                                                      
REMARK 465     LYS B    51                                                      
REMARK 465     TYR B    52                                                      
REMARK 465     TYR B    53                                                      
REMARK 465     SER B    54                                                      
REMARK 465     VAL B    55                                                      
REMARK 465     LEU B    56                                                      
REMARK 465     SER B    57                                                      
REMARK 465     LYS B    58                                                      
REMARK 465     ALA B    59                                                      
REMARK 465     VAL B    60                                                      
REMARK 465     LYS B    61                                                      
REMARK 465     VAL B    62                                                      
REMARK 465     VAL B    63                                                      
REMARK 465     LEU B    64                                                      
REMARK 465     GLY B    65                                                      
REMARK 465     ASN B    66                                                      
REMARK 465     ASP B    67                                                      
REMARK 465     ALA B    68                                                      
REMARK 465     THR B    69                                                      
REMARK 465     PHE B    70                                                      
REMARK 465     GLU B    71                                                      
REMARK 465     ILE B    72                                                      
REMARK 465     THR B    73                                                      
REMARK 465     TYR B    74                                                      
REMARK 465     GLU B    75                                                      
REMARK 465     ALA B    76                                                      
REMARK 465     PHE B    77                                                      
REMARK 465     GLU B    78                                                      
REMARK 465     PRO B    79                                                      
REMARK 465     HIS B    80                                                      
REMARK 465     SER B    81                                                      
REMARK 465     SER B    82                                                      
REMARK 465     TYR B    83                                                      
REMARK 465     SER B    84                                                      
REMARK 465     GLU B    85                                                      
REMARK 465     PRO B    86                                                      
REMARK 465     LEU B    87                                                      
REMARK 465     VAL B    88                                                      
REMARK 465     LYS B    89                                                      
REMARK 465     LYS B    90                                                      
REMARK 465     ARG B    91                                                      
REMARK 465     ALA B    92                                                      
REMARK 465     VAL B    93                                                      
REMARK 465     LEU B    94                                                      
REMARK 465     LEU B    95                                                      
REMARK 465     ASN B   336                                                      
REMARK 465     ARG B   337                                                      
REMARK 465     VAL B   338                                                      
REMARK 465     LYS B   339                                                      
REMARK 465     ALA B   340                                                      
REMARK 465     MET B   341                                                      
REMARK 465     ASP B   342                                                      
REMARK 465     PRO B   343                                                      
REMARK 465     ILE B   344                                                      
REMARK 465     ASP B   345                                                      
REMARK 465     GLU B   346                                                      
REMARK 465     LEU B   347                                                      
REMARK 465     ILE B   348                                                      
REMARK 465     GLU B   349                                                      
REMARK 465     ILE B   350                                                      
REMARK 465     VAL B   351                                                      
REMARK 465     ALA B   352                                                      
REMARK 465     LYS B   353                                                      
REMARK 465     VAL B   354                                                      
REMARK 465     THR B   355                                                      
REMARK 465     GLY B   356                                                      
REMARK 465     VAL B   357                                                      
REMARK 465     PRO B   358                                                      
REMARK 465     ARG B   359                                                      
REMARK 465     GLU B   360                                                      
REMARK 465     GLU B   361                                                      
REMARK 465     ILE B   362                                                      
REMARK 465     LEU B   363                                                      
REMARK 465     SER B   364                                                      
REMARK 465     ASN B   365                                                      
REMARK 465     SER B   366                                                      
REMARK 465     ARG B   367                                                      
REMARK 465     ASN B   368                                                      
REMARK 465     VAL B   369                                                      
REMARK 465     LYS B   370                                                      
REMARK 465     ALA B   371                                                      
REMARK 465     LEU B   372                                                      
REMARK 465     THR B   373                                                      
REMARK 465     ALA B   374                                                      
REMARK 465     ARG B   375                                                      
REMARK 465     ARG B   376                                                      
REMARK 465     ILE B   377                                                      
REMARK 465     GLY B   378                                                      
REMARK 465     MET B   379                                                      
REMARK 465     TYR B   380                                                      
REMARK 465     VAL B   381                                                      
REMARK 465     ALA B   382                                                      
REMARK 465     LYS B   383                                                      
REMARK 465     ASN B   384                                                      
REMARK 465     TYR B   385                                                      
REMARK 465     LEU B   386                                                      
REMARK 465     LYS B   387                                                      
REMARK 465     SER B   388                                                      
REMARK 465     SER B   389                                                      
REMARK 465     LEU B   390                                                      
REMARK 465     ARG B   391                                                      
REMARK 465     THR B   392                                                      
REMARK 465     ILE B   393                                                      
REMARK 465     ALA B   394                                                      
REMARK 465     GLU B   395                                                      
REMARK 465     LYS B   396                                                      
REMARK 465     PHE B   397                                                      
REMARK 465     ASN B   398                                                      
REMARK 465     ARG B   399                                                      
REMARK 465     SER B   400                                                      
REMARK 465     HIS B   401                                                      
REMARK 465     PRO B   402                                                      
REMARK 465     VAL B   403                                                      
REMARK 465     VAL B   404                                                      
REMARK 465     VAL B   405                                                      
REMARK 465     ASP B   406                                                      
REMARK 465     SER B   407                                                      
REMARK 465     VAL B   408                                                      
REMARK 465     LYS B   409                                                      
REMARK 465     LYS B   410                                                      
REMARK 465     VAL B   411                                                      
REMARK 465     LYS B   412                                                      
REMARK 465     ASP B   413                                                      
REMARK 465     SER B   414                                                      
REMARK 465     LEU B   415                                                      
REMARK 465     LEU B   416                                                      
REMARK 465     LYS B   417                                                      
REMARK 465     GLY B   418                                                      
REMARK 465     ASN B   419                                                      
REMARK 465     LYS B   420                                                      
REMARK 465     GLN B   421                                                      
REMARK 465     LEU B   422                                                      
REMARK 465     LYS B   423                                                      
REMARK 465     ALA B   424                                                      
REMARK 465     LEU B   425                                                      
REMARK 465     ILE B   426                                                      
REMARK 465     ASP B   427                                                      
REMARK 465     GLU B   428                                                      
REMARK 465     VAL B   429                                                      
REMARK 465     ILE B   430                                                      
REMARK 465     GLY B   431                                                      
REMARK 465     GLU B   432                                                      
REMARK 465     ILE B   433                                                      
REMARK 465     SER B   434                                                      
REMARK 465     ARG B   435                                                      
REMARK 465     ARG B   436                                                      
REMARK 465     ALA B   437                                                      
REMARK 465     LEU B   438                                                      
REMARK 465     SER B   439                                                      
REMARK 465     GLY B   440                                                      
REMARK 465     MET C     1                                                      
REMARK 465     LYS C     2                                                      
REMARK 465     GLU C     3                                                      
REMARK 465     ARG C     4                                                      
REMARK 465     ILE C     5                                                      
REMARK 465     LEU C     6                                                      
REMARK 465     GLN C     7                                                      
REMARK 465     GLU C     8                                                      
REMARK 465     ILE C     9                                                      
REMARK 465     LYS C    10                                                      
REMARK 465     THR C    11                                                      
REMARK 465     ARG C    12                                                      
REMARK 465     VAL C    13                                                      
REMARK 465     ASN C    14                                                      
REMARK 465     ARG C    15                                                      
REMARK 465     LYS C    16                                                      
REMARK 465     SER C    17                                                      
REMARK 465     TRP C    18                                                      
REMARK 465     GLU C    19                                                      
REMARK 465     LEU C    20                                                      
REMARK 465     TRP C    21                                                      
REMARK 465     PHE C    22                                                      
REMARK 465     SER C    23                                                      
REMARK 465     SER C    24                                                      
REMARK 465     PHE C    25                                                      
REMARK 465     ASP C    26                                                      
REMARK 465     VAL C    27                                                      
REMARK 465     LYS C    28                                                      
REMARK 465     SER C    29                                                      
REMARK 465     ILE C    30                                                      
REMARK 465     GLU C    31                                                      
REMARK 465     GLY C    32                                                      
REMARK 465     ASN C    33                                                      
REMARK 465     LYS C    34                                                      
REMARK 465     VAL C    35                                                      
REMARK 465     VAL C    36                                                      
REMARK 465     PHE C    37                                                      
REMARK 465     SER C    38                                                      
REMARK 465     VAL C    39                                                      
REMARK 465     GLY C    40                                                      
REMARK 465     ASN C    41                                                      
REMARK 465     LEU C    42                                                      
REMARK 465     PHE C    43                                                      
REMARK 465     ILE C    44                                                      
REMARK 465     LYS C    45                                                      
REMARK 465     GLU C    46                                                      
REMARK 465     TRP C    47                                                      
REMARK 465     LEU C    48                                                      
REMARK 465     GLU C    49                                                      
REMARK 465     LYS C    50                                                      
REMARK 465     LYS C    51                                                      
REMARK 465     TYR C    52                                                      
REMARK 465     TYR C    53                                                      
REMARK 465     SER C    54                                                      
REMARK 465     VAL C    55                                                      
REMARK 465     LEU C    56                                                      
REMARK 465     SER C    57                                                      
REMARK 465     LYS C    58                                                      
REMARK 465     ALA C    59                                                      
REMARK 465     VAL C    60                                                      
REMARK 465     LYS C    61                                                      
REMARK 465     VAL C    62                                                      
REMARK 465     VAL C    63                                                      
REMARK 465     LEU C    64                                                      
REMARK 465     GLY C    65                                                      
REMARK 465     ASN C    66                                                      
REMARK 465     ASP C    67                                                      
REMARK 465     ALA C    68                                                      
REMARK 465     THR C    69                                                      
REMARK 465     PHE C    70                                                      
REMARK 465     GLU C    71                                                      
REMARK 465     ILE C    72                                                      
REMARK 465     THR C    73                                                      
REMARK 465     TYR C    74                                                      
REMARK 465     GLU C    75                                                      
REMARK 465     ALA C    76                                                      
REMARK 465     PHE C    77                                                      
REMARK 465     GLU C    78                                                      
REMARK 465     PRO C    79                                                      
REMARK 465     HIS C    80                                                      
REMARK 465     SER C    81                                                      
REMARK 465     SER C    82                                                      
REMARK 465     TYR C    83                                                      
REMARK 465     SER C    84                                                      
REMARK 465     GLU C    85                                                      
REMARK 465     PRO C    86                                                      
REMARK 465     LEU C    87                                                      
REMARK 465     VAL C    88                                                      
REMARK 465     LYS C    89                                                      
REMARK 465     LYS C    90                                                      
REMARK 465     ARG C    91                                                      
REMARK 465     ALA C    92                                                      
REMARK 465     VAL C    93                                                      
REMARK 465     LEU C    94                                                      
REMARK 465     LEU C    95                                                      
REMARK 465     ASN C   336                                                      
REMARK 465     ARG C   337                                                      
REMARK 465     VAL C   338                                                      
REMARK 465     LYS C   339                                                      
REMARK 465     ALA C   340                                                      
REMARK 465     MET C   341                                                      
REMARK 465     ASP C   342                                                      
REMARK 465     PRO C   343                                                      
REMARK 465     ILE C   344                                                      
REMARK 465     ASP C   345                                                      
REMARK 465     GLU C   346                                                      
REMARK 465     LEU C   347                                                      
REMARK 465     ILE C   348                                                      
REMARK 465     GLU C   349                                                      
REMARK 465     ILE C   350                                                      
REMARK 465     VAL C   351                                                      
REMARK 465     ALA C   352                                                      
REMARK 465     LYS C   353                                                      
REMARK 465     VAL C   354                                                      
REMARK 465     THR C   355                                                      
REMARK 465     GLY C   356                                                      
REMARK 465     VAL C   357                                                      
REMARK 465     PRO C   358                                                      
REMARK 465     ARG C   359                                                      
REMARK 465     GLU C   360                                                      
REMARK 465     GLU C   361                                                      
REMARK 465     ILE C   362                                                      
REMARK 465     LEU C   363                                                      
REMARK 465     SER C   364                                                      
REMARK 465     ASN C   365                                                      
REMARK 465     SER C   366                                                      
REMARK 465     ARG C   367                                                      
REMARK 465     ASN C   368                                                      
REMARK 465     VAL C   369                                                      
REMARK 465     LYS C   370                                                      
REMARK 465     ALA C   371                                                      
REMARK 465     LEU C   372                                                      
REMARK 465     THR C   373                                                      
REMARK 465     ALA C   374                                                      
REMARK 465     ARG C   375                                                      
REMARK 465     ARG C   376                                                      
REMARK 465     ILE C   377                                                      
REMARK 465     GLY C   378                                                      
REMARK 465     MET C   379                                                      
REMARK 465     TYR C   380                                                      
REMARK 465     VAL C   381                                                      
REMARK 465     ALA C   382                                                      
REMARK 465     LYS C   383                                                      
REMARK 465     ASN C   384                                                      
REMARK 465     TYR C   385                                                      
REMARK 465     LEU C   386                                                      
REMARK 465     LYS C   387                                                      
REMARK 465     SER C   388                                                      
REMARK 465     SER C   389                                                      
REMARK 465     LEU C   390                                                      
REMARK 465     ARG C   391                                                      
REMARK 465     THR C   392                                                      
REMARK 465     ILE C   393                                                      
REMARK 465     ALA C   394                                                      
REMARK 465     GLU C   395                                                      
REMARK 465     LYS C   396                                                      
REMARK 465     PHE C   397                                                      
REMARK 465     ASN C   398                                                      
REMARK 465     ARG C   399                                                      
REMARK 465     SER C   400                                                      
REMARK 465     HIS C   401                                                      
REMARK 465     PRO C   402                                                      
REMARK 465     VAL C   403                                                      
REMARK 465     VAL C   404                                                      
REMARK 465     VAL C   405                                                      
REMARK 465     ASP C   406                                                      
REMARK 465     SER C   407                                                      
REMARK 465     VAL C   408                                                      
REMARK 465     LYS C   409                                                      
REMARK 465     LYS C   410                                                      
REMARK 465     VAL C   411                                                      
REMARK 465     LYS C   412                                                      
REMARK 465     ASP C   413                                                      
REMARK 465     SER C   414                                                      
REMARK 465     LEU C   415                                                      
REMARK 465     LEU C   416                                                      
REMARK 465     LYS C   417                                                      
REMARK 465     GLY C   418                                                      
REMARK 465     ASN C   419                                                      
REMARK 465     LYS C   420                                                      
REMARK 465     GLN C   421                                                      
REMARK 465     LEU C   422                                                      
REMARK 465     LYS C   423                                                      
REMARK 465     ALA C   424                                                      
REMARK 465     LEU C   425                                                      
REMARK 465     ILE C   426                                                      
REMARK 465     ASP C   427                                                      
REMARK 465     GLU C   428                                                      
REMARK 465     VAL C   429                                                      
REMARK 465     ILE C   430                                                      
REMARK 465     GLY C   431                                                      
REMARK 465     GLU C   432                                                      
REMARK 465     ILE C   433                                                      
REMARK 465     SER C   434                                                      
REMARK 465     ARG C   435                                                      
REMARK 465     ARG C   436                                                      
REMARK 465     ALA C   437                                                      
REMARK 465     LEU C   438                                                      
REMARK 465     SER C   439                                                      
REMARK 465     GLY C   440                                                      
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    TYR A 102       78.59    -64.53                                   
REMARK 500    GLU A 158       49.86   -140.36                                   
REMARK 500    PRO A 159      -67.91    -21.47                                   
REMARK 500    LEU A 161      116.98   -163.30                                   
REMARK 500    ARG A 162       99.35    -63.88                                   
REMARK 500    ARG A 192      -73.05   -147.92                                   
REMARK 500    ASP A 202       80.05     26.31                                   
REMARK 500    LYS A 240        1.70    -58.06                                   
REMARK 500    MET A 254       19.47    -63.19                                   
REMARK 500    GLU A 282      141.38   -170.18                                   
REMARK 500    GLU A 285       14.15    -60.15                                   
REMARK 500    ALA A 292        3.49    -68.79                                   
REMARK 500    VAL A 295       75.95   -112.03                                   
REMARK 500    ASP A 297      -79.31    -57.98                                   
REMARK 500    THR A 315      -71.96    -63.24                                   
REMARK 500    THR A 316       74.53    -65.87                                   
REMARK 500    LYS A 318      -93.23    -65.36                                   
REMARK 500    GLU A 319      179.36    179.53                                   
REMARK 500    LEU A 329       30.91    -99.66                                   
REMARK 500    LYS A 334       64.08   -155.78                                   
REMARK 500    TYR B 102       78.82    -65.61                                   
REMARK 500    GLU B 158       49.46   -140.96                                   
REMARK 500    PRO B 159      -68.13    -21.33                                   
REMARK 500    LEU B 161      117.22   -163.41                                   
REMARK 500    ARG B 162       99.78    -63.92                                   
REMARK 500    ARG B 192      -72.84   -147.65                                   
REMARK 500    ASP B 202       79.85     29.31                                   
REMARK 500    LYS B 240        2.03    -58.15                                   
REMARK 500    MET B 254       19.62    -63.68                                   
REMARK 500    GLU B 282      141.15   -170.40                                   
REMARK 500    GLU B 285       14.00    -60.49                                   
REMARK 500    ALA B 292        2.83    -67.90                                   
REMARK 500    VAL B 295       75.59   -111.25                                   
REMARK 500    ASP B 297      -79.17    -58.05                                   
REMARK 500    THR B 315      -71.64    -63.35                                   
REMARK 500    THR B 316       73.98    -65.96                                   
REMARK 500    LYS B 318      -93.06    -65.09                                   
REMARK 500    GLU B 319      179.42    179.29                                   
REMARK 500    LEU B 329       31.15    -99.30                                   
REMARK 500    LYS B 334       64.58   -156.10                                   
REMARK 500    TYR C 102       79.69    -65.84                                   
REMARK 500    GLU C 158       49.46   -141.38                                   
REMARK 500    PRO C 159      -68.24    -21.34                                   
REMARK 500    LEU C 161      116.97   -162.98                                   
REMARK 500    ARG C 162       99.79    -64.11                                   
REMARK 500    ARG C 192      -73.04   -147.67                                   
REMARK 500    ASP C 202       80.83     28.14                                   
REMARK 500    LYS C 240        2.16    -57.24                                   
REMARK 500    MET C 254       19.92    -63.26                                   
REMARK 500    GLU C 285       14.28    -60.86                                   
REMARK 500    ALA C 292        3.03    -69.25                                   
REMARK 500    VAL C 295       75.62   -111.45                                   
REMARK 500    ASP C 297      -79.81    -57.97                                   
REMARK 500    THR C 315      -71.79    -63.41                                   
REMARK 500    THR C 316       74.27    -66.16                                   
REMARK 500    LYS C 318      -93.16    -65.10                                   
REMARK 500    GLU C 319      179.18    179.50                                   
REMARK 500    LEU C 329       30.85    -99.69                                   
REMARK 500    ASP C 331       20.23    -76.01                                   
REMARK 500    LYS C 334       64.41   -155.88                                   
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                              MG B 501  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 THR B 144   OG1                                                    
REMARK 620 2 ADP B 502   O3B  66.4                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG C 502  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 THR C 144   OG1                                                    
REMARK 620 2 ADP C 503   O3B  67.7                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 500                  
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 501                  
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 502                  
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 501                 
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP B 502                 
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP C 503                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2Z4S   RELATED DB: PDB                                   
REMARK 900 THE SAME PROTEIN IN A DIFFERENT SPACE GROUP                          
REMARK 900 RELATED ID: TRT001000473.1   RELATED DB: TARGETDB                    
DBREF  2Z4R A    1   440  UNP    P46798   DNAA_THEMA       1    440             
DBREF  2Z4R B    1   440  UNP    P46798   DNAA_THEMA       1    440             
DBREF  2Z4R C    1   440  UNP    P46798   DNAA_THEMA       1    440             
SEQRES   1 A  440  MET LYS GLU ARG ILE LEU GLN GLU ILE LYS THR ARG VAL          
SEQRES   2 A  440  ASN ARG LYS SER TRP GLU LEU TRP PHE SER SER PHE ASP          
SEQRES   3 A  440  VAL LYS SER ILE GLU GLY ASN LYS VAL VAL PHE SER VAL          
SEQRES   4 A  440  GLY ASN LEU PHE ILE LYS GLU TRP LEU GLU LYS LYS TYR          
SEQRES   5 A  440  TYR SER VAL LEU SER LYS ALA VAL LYS VAL VAL LEU GLY          
SEQRES   6 A  440  ASN ASP ALA THR PHE GLU ILE THR TYR GLU ALA PHE GLU          
SEQRES   7 A  440  PRO HIS SER SER TYR SER GLU PRO LEU VAL LYS LYS ARG          
SEQRES   8 A  440  ALA VAL LEU LEU THR PRO LEU ASN PRO ASP TYR THR PHE          
SEQRES   9 A  440  GLU ASN PHE VAL VAL GLY PRO GLY ASN SER PHE ALA TYR          
SEQRES  10 A  440  HIS ALA ALA LEU GLU VAL ALA LYS HIS PRO GLY ARG TYR          
SEQRES  11 A  440  ASN PRO LEU PHE ILE TYR GLY GLY VAL GLY LEU GLY LYS          
SEQRES  12 A  440  THR HIS LEU LEU GLN SER ILE GLY ASN TYR VAL VAL GLN          
SEQRES  13 A  440  ASN GLU PRO ASP LEU ARG VAL MET TYR ILE THR SER GLU          
SEQRES  14 A  440  LYS PHE LEU ASN ASP LEU VAL ASP SER MET LYS GLU GLY          
SEQRES  15 A  440  LYS LEU ASN GLU PHE ARG GLU LYS TYR ARG LYS LYS VAL          
SEQRES  16 A  440  ASP ILE LEU LEU ILE ASP ASP VAL GLN PHE LEU ILE GLY          
SEQRES  17 A  440  LYS THR GLY VAL GLN THR GLU LEU PHE HIS THR PHE ASN          
SEQRES  18 A  440  GLU LEU HIS ASP SER GLY LYS GLN ILE VAL ILE CYS SER          
SEQRES  19 A  440  ASP ARG GLU PRO GLN LYS LEU SER GLU PHE GLN ASP ARG          
SEQRES  20 A  440  LEU VAL SER ARG PHE GLN MET GLY LEU VAL ALA LYS LEU          
SEQRES  21 A  440  GLU PRO PRO ASP GLU GLU THR ARG LYS SER ILE ALA ARG          
SEQRES  22 A  440  LYS MET LEU GLU ILE GLU HIS GLY GLU LEU PRO GLU GLU          
SEQRES  23 A  440  VAL LEU ASN PHE VAL ALA GLU ASN VAL ASP ASP ASN LEU          
SEQRES  24 A  440  ARG ARG LEU ARG GLY ALA ILE ILE LYS LEU LEU VAL TYR          
SEQRES  25 A  440  LYS GLU THR THR GLY LYS GLU VAL ASP LEU LYS GLU ALA          
SEQRES  26 A  440  ILE LEU LEU LEU LYS ASP PHE ILE LYS PRO ASN ARG VAL          
SEQRES  27 A  440  LYS ALA MET ASP PRO ILE ASP GLU LEU ILE GLU ILE VAL          
SEQRES  28 A  440  ALA LYS VAL THR GLY VAL PRO ARG GLU GLU ILE LEU SER          
SEQRES  29 A  440  ASN SER ARG ASN VAL LYS ALA LEU THR ALA ARG ARG ILE          
SEQRES  30 A  440  GLY MET TYR VAL ALA LYS ASN TYR LEU LYS SER SER LEU          
SEQRES  31 A  440  ARG THR ILE ALA GLU LYS PHE ASN ARG SER HIS PRO VAL          
SEQRES  32 A  440  VAL VAL ASP SER VAL LYS LYS VAL LYS ASP SER LEU LEU          
SEQRES  33 A  440  LYS GLY ASN LYS GLN LEU LYS ALA LEU ILE ASP GLU VAL          
SEQRES  34 A  440  ILE GLY GLU ILE SER ARG ARG ALA LEU SER GLY                  
SEQRES   1 B  440  MET LYS GLU ARG ILE LEU GLN GLU ILE LYS THR ARG VAL          
SEQRES   2 B  440  ASN ARG LYS SER TRP GLU LEU TRP PHE SER SER PHE ASP          
SEQRES   3 B  440  VAL LYS SER ILE GLU GLY ASN LYS VAL VAL PHE SER VAL          
SEQRES   4 B  440  GLY ASN LEU PHE ILE LYS GLU TRP LEU GLU LYS LYS TYR          
SEQRES   5 B  440  TYR SER VAL LEU SER LYS ALA VAL LYS VAL VAL LEU GLY          
SEQRES   6 B  440  ASN ASP ALA THR PHE GLU ILE THR TYR GLU ALA PHE GLU          
SEQRES   7 B  440  PRO HIS SER SER TYR SER GLU PRO LEU VAL LYS LYS ARG          
SEQRES   8 B  440  ALA VAL LEU LEU THR PRO LEU ASN PRO ASP TYR THR PHE          
SEQRES   9 B  440  GLU ASN PHE VAL VAL GLY PRO GLY ASN SER PHE ALA TYR          
SEQRES  10 B  440  HIS ALA ALA LEU GLU VAL ALA LYS HIS PRO GLY ARG TYR          
SEQRES  11 B  440  ASN PRO LEU PHE ILE TYR GLY GLY VAL GLY LEU GLY LYS          
SEQRES  12 B  440  THR HIS LEU LEU GLN SER ILE GLY ASN TYR VAL VAL GLN          
SEQRES  13 B  440  ASN GLU PRO ASP LEU ARG VAL MET TYR ILE THR SER GLU          
SEQRES  14 B  440  LYS PHE LEU ASN ASP LEU VAL ASP SER MET LYS GLU GLY          
SEQRES  15 B  440  LYS LEU ASN GLU PHE ARG GLU LYS TYR ARG LYS LYS VAL          
SEQRES  16 B  440  ASP ILE LEU LEU ILE ASP ASP VAL GLN PHE LEU ILE GLY          
SEQRES  17 B  440  LYS THR GLY VAL GLN THR GLU LEU PHE HIS THR PHE ASN          
SEQRES  18 B  440  GLU LEU HIS ASP SER GLY LYS GLN ILE VAL ILE CYS SER          
SEQRES  19 B  440  ASP ARG GLU PRO GLN LYS LEU SER GLU PHE GLN ASP ARG          
SEQRES  20 B  440  LEU VAL SER ARG PHE GLN MET GLY LEU VAL ALA LYS LEU          
SEQRES  21 B  440  GLU PRO PRO ASP GLU GLU THR ARG LYS SER ILE ALA ARG          
SEQRES  22 B  440  LYS MET LEU GLU ILE GLU HIS GLY GLU LEU PRO GLU GLU          
SEQRES  23 B  440  VAL LEU ASN PHE VAL ALA GLU ASN VAL ASP ASP ASN LEU          
SEQRES  24 B  440  ARG ARG LEU ARG GLY ALA ILE ILE LYS LEU LEU VAL TYR          
SEQRES  25 B  440  LYS GLU THR THR GLY LYS GLU VAL ASP LEU LYS GLU ALA          
SEQRES  26 B  440  ILE LEU LEU LEU LYS ASP PHE ILE LYS PRO ASN ARG VAL          
SEQRES  27 B  440  LYS ALA MET ASP PRO ILE ASP GLU LEU ILE GLU ILE VAL          
SEQRES  28 B  440  ALA LYS VAL THR GLY VAL PRO ARG GLU GLU ILE LEU SER          
SEQRES  29 B  440  ASN SER ARG ASN VAL LYS ALA LEU THR ALA ARG ARG ILE          
SEQRES  30 B  440  GLY MET TYR VAL ALA LYS ASN TYR LEU LYS SER SER LEU          
SEQRES  31 B  440  ARG THR ILE ALA GLU LYS PHE ASN ARG SER HIS PRO VAL          
SEQRES  32 B  440  VAL VAL ASP SER VAL LYS LYS VAL LYS ASP SER LEU LEU          
SEQRES  33 B  440  LYS GLY ASN LYS GLN LEU LYS ALA LEU ILE ASP GLU VAL          
SEQRES  34 B  440  ILE GLY GLU ILE SER ARG ARG ALA LEU SER GLY                  
SEQRES   1 C  440  MET LYS GLU ARG ILE LEU GLN GLU ILE LYS THR ARG VAL          
SEQRES   2 C  440  ASN ARG LYS SER TRP GLU LEU TRP PHE SER SER PHE ASP          
SEQRES   3 C  440  VAL LYS SER ILE GLU GLY ASN LYS VAL VAL PHE SER VAL          
SEQRES   4 C  440  GLY ASN LEU PHE ILE LYS GLU TRP LEU GLU LYS LYS TYR          
SEQRES   5 C  440  TYR SER VAL LEU SER LYS ALA VAL LYS VAL VAL LEU GLY          
SEQRES   6 C  440  ASN ASP ALA THR PHE GLU ILE THR TYR GLU ALA PHE GLU          
SEQRES   7 C  440  PRO HIS SER SER TYR SER GLU PRO LEU VAL LYS LYS ARG          
SEQRES   8 C  440  ALA VAL LEU LEU THR PRO LEU ASN PRO ASP TYR THR PHE          
SEQRES   9 C  440  GLU ASN PHE VAL VAL GLY PRO GLY ASN SER PHE ALA TYR          
SEQRES  10 C  440  HIS ALA ALA LEU GLU VAL ALA LYS HIS PRO GLY ARG TYR          
SEQRES  11 C  440  ASN PRO LEU PHE ILE TYR GLY GLY VAL GLY LEU GLY LYS          
SEQRES  12 C  440  THR HIS LEU LEU GLN SER ILE GLY ASN TYR VAL VAL GLN          
SEQRES  13 C  440  ASN GLU PRO ASP LEU ARG VAL MET TYR ILE THR SER GLU          
SEQRES  14 C  440  LYS PHE LEU ASN ASP LEU VAL ASP SER MET LYS GLU GLY          
SEQRES  15 C  440  LYS LEU ASN GLU PHE ARG GLU LYS TYR ARG LYS LYS VAL          
SEQRES  16 C  440  ASP ILE LEU LEU ILE ASP ASP VAL GLN PHE LEU ILE GLY          
SEQRES  17 C  440  LYS THR GLY VAL GLN THR GLU LEU PHE HIS THR PHE ASN          
SEQRES  18 C  440  GLU LEU HIS ASP SER GLY LYS GLN ILE VAL ILE CYS SER          
SEQRES  19 C  440  ASP ARG GLU PRO GLN LYS LEU SER GLU PHE GLN ASP ARG          
SEQRES  20 C  440  LEU VAL SER ARG PHE GLN MET GLY LEU VAL ALA LYS LEU          
SEQRES  21 C  440  GLU PRO PRO ASP GLU GLU THR ARG LYS SER ILE ALA ARG          
SEQRES  22 C  440  LYS MET LEU GLU ILE GLU HIS GLY GLU LEU PRO GLU GLU          
SEQRES  23 C  440  VAL LEU ASN PHE VAL ALA GLU ASN VAL ASP ASP ASN LEU          
SEQRES  24 C  440  ARG ARG LEU ARG GLY ALA ILE ILE LYS LEU LEU VAL TYR          
SEQRES  25 C  440  LYS GLU THR THR GLY LYS GLU VAL ASP LEU LYS GLU ALA          
SEQRES  26 C  440  ILE LEU LEU LEU LYS ASP PHE ILE LYS PRO ASN ARG VAL          
SEQRES  27 C  440  LYS ALA MET ASP PRO ILE ASP GLU LEU ILE GLU ILE VAL          
SEQRES  28 C  440  ALA LYS VAL THR GLY VAL PRO ARG GLU GLU ILE LEU SER          
SEQRES  29 C  440  ASN SER ARG ASN VAL LYS ALA LEU THR ALA ARG ARG ILE          
SEQRES  30 C  440  GLY MET TYR VAL ALA LYS ASN TYR LEU LYS SER SER LEU          
SEQRES  31 C  440  ARG THR ILE ALA GLU LYS PHE ASN ARG SER HIS PRO VAL          
SEQRES  32 C  440  VAL VAL ASP SER VAL LYS LYS VAL LYS ASP SER LEU LEU          
SEQRES  33 C  440  LYS GLY ASN LYS GLN LEU LYS ALA LEU ILE ASP GLU VAL          
SEQRES  34 C  440  ILE GLY GLU ILE SER ARG ARG ALA LEU SER GLY                  
HET     MG  A 500       1                                                       
HET     MG  B 501       1                                                       
HET     MG  C 502       1                                                       
HET    ADP  A 501      27                                                       
HET    ADP  B 502      27                                                       
HET    ADP  C 503      27                                                       
HETNAM      MG MAGNESIUM ION                                                    
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
FORMUL   4   MG    3(MG 2+)                                                     
FORMUL   7  ADP    3(C10 H15 N5 O10 P2)                                         
FORMUL  10  HOH   *4(H2 O)                                                      
HELIX    1   1 THR A  103  PHE A  107  5                                   5    
HELIX    2   2 ASN A  113  HIS A  126  1                                  14    
HELIX    3   3 GLY A  142  GLU A  158  1                                  17    
HELIX    4   4 SER A  168  GLU A  181  1                                  14    
HELIX    5   5 LYS A  183  ARG A  192  1                                  10    
HELIX    6   6 ASP A  202  ILE A  207  5                                   6    
HELIX    7   7 LYS A  209  ASP A  225  1                                  17    
HELIX    8   8 GLN A  245  MET A  254  1                                  10    
HELIX    9   9 ASP A  264  GLU A  279  1                                  16    
HELIX   10  10 GLU A  286  VAL A  295  1                                  10    
HELIX   11  11 ASN A  298  THR A  316  1                                  19    
HELIX   12  12 ASP A  321  LEU A  329  1                                   9    
HELIX   13  13 LYS A  330  ILE A  333  5                                   4    
HELIX   14  14 THR B  103  PHE B  107  5                                   5    
HELIX   15  15 ASN B  113  HIS B  126  1                                  14    
HELIX   16  16 GLY B  142  GLU B  158  1                                  17    
HELIX   17  17 SER B  168  GLU B  181  1                                  14    
HELIX   18  18 LYS B  183  ARG B  192  1                                  10    
HELIX   19  19 ASP B  202  ILE B  207  5                                   6    
HELIX   20  20 LYS B  209  ASP B  225  1                                  17    
HELIX   21  21 GLN B  245  MET B  254  1                                  10    
HELIX   22  22 ASP B  264  GLU B  279  1                                  16    
HELIX   23  23 GLU B  286  VAL B  295  1                                  10    
HELIX   24  24 ASN B  298  THR B  316  1                                  19    
HELIX   25  25 ASP B  321  LEU B  329  1                                   9    
HELIX   26  26 LYS B  330  ILE B  333  5                                   4    
HELIX   27  27 THR C  103  PHE C  107  5                                   5    
HELIX   28  28 ASN C  113  HIS C  126  1                                  14    
HELIX   29  29 GLY C  142  GLU C  158  1                                  17    
HELIX   30  30 SER C  168  GLU C  181  1                                  14    
HELIX   31  31 LYS C  183  ARG C  192  1                                  10    
HELIX   32  32 ASP C  202  ILE C  207  5                                   6    
HELIX   33  33 LYS C  209  ASP C  225  1                                  17    
HELIX   34  34 GLN C  245  MET C  254  1                                  10    
HELIX   35  35 ASP C  264  GLU C  279  1                                  16    
HELIX   36  36 GLU C  286  VAL C  295  1                                  10    
HELIX   37  37 ASN C  298  THR C  316  1                                  19    
HELIX   38  38 ASP C  321  LEU C  329  1                                   9    
HELIX   39  39 LYS C  330  ILE C  333  5                                   4    
SHEET    1   A 5 VAL A 163  THR A 167  0                                        
SHEET    2   A 5 ILE A 197  ASP A 201  1  O  LEU A 199   N  MET A 164           
SHEET    3   A 5 GLN A 229  SER A 234  1  O  VAL A 231   N  ILE A 200           
SHEET    4   A 5 LEU A 133  TYR A 136  1  N  LEU A 133   O  ILE A 232           
SHEET    5   A 5 LEU A 256  LYS A 259  1  O  LEU A 256   N  PHE A 134           
SHEET    1   B 5 VAL B 163  THR B 167  0                                        
SHEET    2   B 5 ILE B 197  ASP B 201  1  O  LEU B 199   N  MET B 164           
SHEET    3   B 5 GLN B 229  SER B 234  1  O  VAL B 231   N  ILE B 200           
SHEET    4   B 5 LEU B 133  TYR B 136  1  N  LEU B 133   O  ILE B 232           
SHEET    5   B 5 LEU B 256  LYS B 259  1  O  LEU B 256   N  PHE B 134           
SHEET    1   C 5 VAL C 163  THR C 167  0                                        
SHEET    2   C 5 ILE C 197  ASP C 201  1  O  LEU C 199   N  MET C 164           
SHEET    3   C 5 GLN C 229  SER C 234  1  O  VAL C 231   N  ILE C 200           
SHEET    4   C 5 LEU C 133  TYR C 136  1  N  LEU C 133   O  ILE C 232           
SHEET    5   C 5 LEU C 256  LYS C 259  1  O  LEU C 256   N  PHE C 134           
LINK         OG1 THR A 144                MG    MG A 500     1555   1555  2.30  
LINK         OG1 THR B 144                MG    MG B 501     1555   1555  2.30  
LINK         OG1 THR C 144                MG    MG C 502     1555   1555  2.31  
LINK        MG    MG B 501                 O3B ADP B 502     1555   1555  2.47  
LINK        MG    MG C 502                 O3B ADP C 503     1555   1555  2.43  
CISPEP   1 ASN A  131    PRO A  132          0        -0.15                     
CISPEP   2 ASN B  131    PRO B  132          0        -0.25                     
CISPEP   3 ASN C  131    PRO C  132          0        -0.14                     
SITE     1 AC1  4 THR A 144  ASP A 201  ASP A 202  ADP A 501                    
SITE     1 AC2  4 THR B 144  ASP B 201  ASP B 202  ADP B 502                    
SITE     1 AC3  4 THR C 144  ASP C 201  ASP C 202  ADP C 503                    
SITE     1 AC4 17 TYR A 102  ASN A 106  PHE A 107  VAL A 108                    
SITE     2 AC4 17 ASN A 113  GLY A 138  VAL A 139  GLY A 140                    
SITE     3 AC4 17 LEU A 141  GLY A 142  LYS A 143  THR A 144                    
SITE     4 AC4 17 HIS A 145  ILE A 271  LEU A 299  ARG A 300                    
SITE     5 AC4 17  MG A 500                                                     
SITE     1 AC5 17 TYR B 102  ASN B 106  PHE B 107  VAL B 108                    
SITE     2 AC5 17 ASN B 113  GLY B 138  VAL B 139  GLY B 140                    
SITE     3 AC5 17 LEU B 141  GLY B 142  LYS B 143  THR B 144                    
SITE     4 AC5 17 HIS B 145  ILE B 271  LEU B 299  ARG B 300                    
SITE     5 AC5 17  MG B 501                                                     
SITE     1 AC6 17 TYR C 102  ASN C 106  PHE C 107  VAL C 108                    
SITE     2 AC6 17 ASN C 113  GLY C 138  VAL C 139  GLY C 140                    
SITE     3 AC6 17 LEU C 141  GLY C 142  LYS C 143  THR C 144                    
SITE     4 AC6 17 HIS C 145  ILE C 271  LEU C 299  ARG C 300                    
SITE     5 AC6 17  MG C 502                                                     
CRYST1  133.335  221.787   55.601  90.00 106.13  90.00 C 1 2 1      12          
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      0.007500  0.000000  0.002169        0.00000                         
SCALE2      0.000000  0.004509  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018722        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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