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Database: PDB
Entry: 3PGE
LinkDB: 3PGE
Original site: 3PGE 
HEADER    DNA BINDING PROTEIN                     01-NOV-10   3PGE              
TITLE     STRUCTURE OF SUMOYLATED PCNA                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUMO-MODIFIED PROLIFERATING CELL NUCLEAR ANTIGEN;          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SUMO-C FRAGMENT OF PCNA;                                   
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: PROLIFERATING CELL NUCLEAR ANTIGEN;                        
COMPND   8 CHAIN: B;                                                            
COMPND   9 FRAGMENT: N FRAGMENT OF PCNA;                                        
COMPND  10 SYNONYM: PCNA;                                                       
COMPND  11 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
SOURCE   3 ORGANISM_COMMON: BREWER'S YEAST,LAGER BEER YEAST,YEAST;              
SOURCE   4 ORGANISM_TAXID: 4932;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSSETTA;                                  
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PETDUET-1;                                
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
SOURCE  12 ORGANISM_COMMON: BREWER'S YEAST,LAGER BEER YEAST,YEAST;              
SOURCE  13 ORGANISM_TAXID: 4932;                                                
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  16 EXPRESSION_SYSTEM_STRAIN: ROSSETTA;                                  
SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PETDUET-1                                 
KEYWDS    DNA REPLICATION, DNA BINDING PROTEIN                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.D.FREUDENTHAL,J.E.BROGIE,L.GAKHAR,T.WASHINGTON                      
REVDAT   4   02-AUG-17 3PGE    1       SOURCE REMARK                            
REVDAT   3   09-FEB-11 3PGE    1       JRNL                                     
REVDAT   2   26-JAN-11 3PGE    1       JRNL                                     
REVDAT   1   29-DEC-10 3PGE    0                                                
JRNL        AUTH   B.D.FREUDENTHAL,J.E.BROGIE,L.GAKHAR,C.M.KONDRATICK,          
JRNL        AUTH 2 M.T.WASHINGTON                                               
JRNL        TITL   CRYSTAL STRUCTURE OF SUMO-MODIFIED PROLIFERATING CELL        
JRNL        TITL 2 NUCLEAR ANTIGEN.                                             
JRNL        REF    J.MOL.BIOL.                   V. 406     9 2011              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   21167178                                                     
JRNL        DOI    10.1016/J.JMB.2010.12.015                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.40                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 2.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 20836                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.232                           
REMARK   3   R VALUE            (WORKING SET) : 0.231                           
REMARK   3   FREE R VALUE                     : 0.253                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.140                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1071                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 45.4442 -  5.5973    0.97     2642   122  0.2192 0.2122        
REMARK   3     2  5.5973 -  4.4439    0.99     2522   127  0.1930 0.2119        
REMARK   3     3  4.4439 -  3.8825    0.99     2454   134  0.2129 0.2375        
REMARK   3     4  3.8825 -  3.5277    0.99     2444   145  0.2368 0.2957        
REMARK   3     5  3.5277 -  3.2749    1.00     2426   153  0.2456 0.3161        
REMARK   3     6  3.2749 -  3.0819    0.99     2436   138  0.2762 0.3089        
REMARK   3     7  3.0819 -  2.9276    1.00     2426   125  0.3277 0.3581        
REMARK   3     8  2.9276 -  2.8000    0.99     2411   127  0.3942 0.4099        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.30                                          
REMARK   3   SHRINKAGE RADIUS   : 1.06                                          
REMARK   3   K_SOL              : 0.31                                          
REMARK   3   B_SOL              : 56.51                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.320            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL             
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 78.70                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.00000                                              
REMARK   3    B22 (A**2) : 0.00000                                              
REMARK   3    B33 (A**2) : 0.00000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.012           2666                                  
REMARK   3   ANGLE     :  1.450           3589                                  
REMARK   3   CHIRALITY :  0.092            417                                  
REMARK   3   PLANARITY :  0.006            464                                  
REMARK   3   DIHEDRAL  : 18.582           1006                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3PGE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-NOV-10.                  
REMARK 100 THE DEPOSITION ID IS D_1000062344.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-OCT-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 4.2.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97                               
REMARK 200  MONOCHROMATOR                  : SAGGITALLY FOCUSED MIRRORS         
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : NOIR-1                             
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : D*TREK                             
REMARK 200  DATA SCALING SOFTWARE          : D*TREK                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20836                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 45.438                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 12.60                              
REMARK 200  R MERGE                    (I) : 0.08900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 8.83                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.43300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1PLQ                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 74.45                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.81                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.0M AMMONIUM SULFATE, 0.1M SODIUM       
REMARK 280  CITRATE, PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z,-X,-Y                                                 
REMARK 290       7555   -Z,-X,Y                                                 
REMARK 290       8555   -Z,X,-Y                                                 
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z,-X                                                 
REMARK 290      11555   Y,-Z,-X                                                 
REMARK 290      12555   -Y,-Z,X                                                 
REMARK 290      13555   Y,X,-Z                                                  
REMARK 290      14555   -Y,-X,-Z                                                
REMARK 290      15555   Y,-X,Z                                                  
REMARK 290      16555   -Y,X,Z                                                  
REMARK 290      17555   X,Z,-Y                                                  
REMARK 290      18555   -X,Z,Y                                                  
REMARK 290      19555   -X,-Z,-Y                                                
REMARK 290      20555   X,-Z,Y                                                  
REMARK 290      21555   Z,Y,-X                                                  
REMARK 290      22555   Z,-Y,X                                                  
REMARK 290      23555   -Z,Y,X                                                  
REMARK 290      24555   -Z,-Y,-X                                                
REMARK 290      25555   X,Y+1/2,Z+1/2                                           
REMARK 290      26555   -X,-Y+1/2,Z+1/2                                         
REMARK 290      27555   -X,Y+1/2,-Z+1/2                                         
REMARK 290      28555   X,-Y+1/2,-Z+1/2                                         
REMARK 290      29555   Z,X+1/2,Y+1/2                                           
REMARK 290      30555   Z,-X+1/2,-Y+1/2                                         
REMARK 290      31555   -Z,-X+1/2,Y+1/2                                         
REMARK 290      32555   -Z,X+1/2,-Y+1/2                                         
REMARK 290      33555   Y,Z+1/2,X+1/2                                           
REMARK 290      34555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      35555   Y,-Z+1/2,-X+1/2                                         
REMARK 290      36555   -Y,-Z+1/2,X+1/2                                         
REMARK 290      37555   Y,X+1/2,-Z+1/2                                          
REMARK 290      38555   -Y,-X+1/2,-Z+1/2                                        
REMARK 290      39555   Y,-X+1/2,Z+1/2                                          
REMARK 290      40555   -Y,X+1/2,Z+1/2                                          
REMARK 290      41555   X,Z+1/2,-Y+1/2                                          
REMARK 290      42555   -X,Z+1/2,Y+1/2                                          
REMARK 290      43555   -X,-Z+1/2,-Y+1/2                                        
REMARK 290      44555   X,-Z+1/2,Y+1/2                                          
REMARK 290      45555   Z,Y+1/2,-X+1/2                                          
REMARK 290      46555   Z,-Y+1/2,X+1/2                                          
REMARK 290      47555   -Z,Y+1/2,X+1/2                                          
REMARK 290      48555   -Z,-Y+1/2,-X+1/2                                        
REMARK 290      49555   X+1/2,Y,Z+1/2                                           
REMARK 290      50555   -X+1/2,-Y,Z+1/2                                         
REMARK 290      51555   -X+1/2,Y,-Z+1/2                                         
REMARK 290      52555   X+1/2,-Y,-Z+1/2                                         
REMARK 290      53555   Z+1/2,X,Y+1/2                                           
REMARK 290      54555   Z+1/2,-X,-Y+1/2                                         
REMARK 290      55555   -Z+1/2,-X,Y+1/2                                         
REMARK 290      56555   -Z+1/2,X,-Y+1/2                                         
REMARK 290      57555   Y+1/2,Z,X+1/2                                           
REMARK 290      58555   -Y+1/2,Z,-X+1/2                                         
REMARK 290      59555   Y+1/2,-Z,-X+1/2                                         
REMARK 290      60555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      61555   Y+1/2,X,-Z+1/2                                          
REMARK 290      62555   -Y+1/2,-X,-Z+1/2                                        
REMARK 290      63555   Y+1/2,-X,Z+1/2                                          
REMARK 290      64555   -Y+1/2,X,Z+1/2                                          
REMARK 290      65555   X+1/2,Z,-Y+1/2                                          
REMARK 290      66555   -X+1/2,Z,Y+1/2                                          
REMARK 290      67555   -X+1/2,-Z,-Y+1/2                                        
REMARK 290      68555   X+1/2,-Z,Y+1/2                                          
REMARK 290      69555   Z+1/2,Y,-X+1/2                                          
REMARK 290      70555   Z+1/2,-Y,X+1/2                                          
REMARK 290      71555   -Z+1/2,Y,X+1/2                                          
REMARK 290      72555   -Z+1/2,-Y,-X+1/2                                        
REMARK 290      73555   X+1/2,Y+1/2,Z                                           
REMARK 290      74555   -X+1/2,-Y+1/2,Z                                         
REMARK 290      75555   -X+1/2,Y+1/2,-Z                                         
REMARK 290      76555   X+1/2,-Y+1/2,-Z                                         
REMARK 290      77555   Z+1/2,X+1/2,Y                                           
REMARK 290      78555   Z+1/2,-X+1/2,-Y                                         
REMARK 290      79555   -Z+1/2,-X+1/2,Y                                         
REMARK 290      80555   -Z+1/2,X+1/2,-Y                                         
REMARK 290      81555   Y+1/2,Z+1/2,X                                           
REMARK 290      82555   -Y+1/2,Z+1/2,-X                                         
REMARK 290      83555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      84555   -Y+1/2,-Z+1/2,X                                         
REMARK 290      85555   Y+1/2,X+1/2,-Z                                          
REMARK 290      86555   -Y+1/2,-X+1/2,-Z                                        
REMARK 290      87555   Y+1/2,-X+1/2,Z                                          
REMARK 290      88555   -Y+1/2,X+1/2,Z                                          
REMARK 290      89555   X+1/2,Z+1/2,-Y                                          
REMARK 290      90555   -X+1/2,Z+1/2,Y                                          
REMARK 290      91555   -X+1/2,-Z+1/2,-Y                                        
REMARK 290      92555   X+1/2,-Z+1/2,Y                                          
REMARK 290      93555   Z+1/2,Y+1/2,-X                                          
REMARK 290      94555   Z+1/2,-Y+1/2,X                                          
REMARK 290      95555   -Z+1/2,Y+1/2,X                                          
REMARK 290      96555   -Z+1/2,-Y+1/2,-X                                        
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  25  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  49  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  49  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  49  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  50 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  50  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  50  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  51 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  51  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  51  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  52  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  52  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  52  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  53  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  53  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  53  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  54  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  54 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  54  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  55  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  55 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  55  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  56  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  56  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  56  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  57  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  57  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  57  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  58  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  58  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  58 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  59  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  59  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  59 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  60  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  60  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  60  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  61  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  61  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  61  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  62  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  62 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  62  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY1  63  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  63 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  63  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  64  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  64  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  64  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY1  65  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  65  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  65  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  66 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  66  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  66  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  67 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  67  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  67  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  68  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  68  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  68  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY1  69  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  69  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  69 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  70  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  70  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  70  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  71  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  71  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  71  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  72  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  72  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  72 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY1  73  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  73  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  73  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  74 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  74  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  74  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  75 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  75  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  75  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  76  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  76  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  76  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  77  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  77  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  77  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  78  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  78 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  78  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  79  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  79 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  79  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  80  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  80  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  80  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  81  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  81  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  81  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  82  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  82  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  82 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  83  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  83  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  83 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  84  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  84  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  84  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  85  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  85  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  85  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  86  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  86 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  86  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  87  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  87 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  87  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  88  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY2  88  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY3  88  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  89  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  89  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  89  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  90 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  90  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY3  90  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  91 -1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  91  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  91  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  92  1.000000  0.000000  0.000000      134.40800            
REMARK 290   SMTRY2  92  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY3  92  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  93  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  93  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  93 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  94  0.000000  0.000000  1.000000      134.40800            
REMARK 290   SMTRY2  94  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  94  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  95  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  95  0.000000  1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  95  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  96  0.000000  0.000000 -1.000000      134.40800            
REMARK 290   SMTRY2  96  0.000000 -1.000000  0.000000      134.40800            
REMARK 290   SMTRY3  96 -1.000000  0.000000  0.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 5750 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 17560 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 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     HIS A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     HIS A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     ASP A     3                                                      
REMARK 465     SER A     4                                                      
REMARK 465     GLU A     5                                                      
REMARK 465     VAL A     6                                                      
REMARK 465     ASN A     7                                                      
REMARK 465     GLN A     8                                                      
REMARK 465     GLU A     9                                                      
REMARK 465     ALA A    10                                                      
REMARK 465     LYS A    11                                                      
REMARK 465     PRO A    12                                                      
REMARK 465     GLU A    13                                                      
REMARK 465     VAL A    14                                                      
REMARK 465     LYS A    15                                                      
REMARK 465     PRO A    16                                                      
REMARK 465     GLU A    17                                                      
REMARK 465     VAL A    18                                                      
REMARK 465     GLY A    99                                                      
REMARK 465     ASP A   192                                                      
REMARK 465     GLU A   193                                                      
REMARK 465     GLU A   194                                                      
REMARK 465     ASP B    -7                                                      
REMARK 465     TYR B    -6                                                      
REMARK 465     LYS B    -5                                                      
REMARK 465     ASP B    -4                                                      
REMARK 465     ASP B    -3                                                      
REMARK 465     ASP B    -2                                                      
REMARK 465     ASP B    -1                                                      
REMARK 465     LYS B     0                                                      
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    THR A  22       -8.57     68.66                                   
REMARK 500    GLN A  95     -127.17   -108.28                                   
REMARK 500    ILE A  96      -65.40   -107.72                                   
REMARK 500    CYS B  81      -71.98    -76.80                                   
REMARK 500    ASN B  83      -16.65     63.83                                   
REMARK 500    ASN B  84       16.62     47.12                                   
REMARK 500    LYS B 108       11.10    -64.17                                   
REMARK 500    ASP B 124     -159.38     54.04                                   
REMARK 500    ILE B 128      150.92     80.67                                   
REMARK 500    LEU B 131       12.50   -151.97                                   
REMARK 500    GLN B 132      167.06     68.27                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3L0X   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF SPLIT PCNA                                              
DBREF  3PGE A    1    98  UNP    Q12306   SMT3_YEAST       1     98             
DBREF  3PGE A  101   194  UNP    P15873   PCNA_YEAST     165    258             
DBREF  3PGE B    1   163  UNP    P15873   PCNA_YEAST       1    163             
SEQADV 3PGE HIS A   -5  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE HIS A   -4  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE HIS A   -3  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE HIS A   -2  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE HIS A   -1  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE HIS A    0  UNP  Q12306              EXPRESSION TAG                 
SEQADV 3PGE GLY A   99  UNP  Q12306              LINKER                         
SEQADV 3PGE GLY A  100  UNP  Q12306              LINKER                         
SEQADV 3PGE ASP B   -7  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE TYR B   -6  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE LYS B   -5  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE ASP B   -4  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE ASP B   -3  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE ASP B   -2  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE ASP B   -1  UNP  P15873              EXPRESSION TAG                 
SEQADV 3PGE LYS B    0  UNP  P15873              EXPRESSION TAG                 
SEQRES   1 A  200  HIS HIS HIS HIS HIS HIS MET SER ASP SER GLU VAL ASN          
SEQRES   2 A  200  GLN GLU ALA LYS PRO GLU VAL LYS PRO GLU VAL LYS PRO          
SEQRES   3 A  200  GLU THR HIS ILE ASN LEU LYS VAL SER ASP GLY SER SER          
SEQRES   4 A  200  GLU ILE PHE PHE LYS ILE LYS LYS THR THR PRO LEU ARG          
SEQRES   5 A  200  ARG LEU MET GLU ALA PHE ALA LYS ARG GLN GLY LYS GLU          
SEQRES   6 A  200  MET ASP SER LEU ARG PHE LEU TYR ASP GLY ILE ARG ILE          
SEQRES   7 A  200  GLN ALA ASP GLN THR PRO GLU ASP LEU ASP MET GLU ASP          
SEQRES   8 A  200  ASN ASP ILE ILE GLU ALA HIS ARG GLU GLN ILE GLY GLY          
SEQRES   9 A  200  GLY GLY GLU THR ILE LYS PHE VAL ALA ASP GLY ASP ILE          
SEQRES  10 A  200  GLY SER GLY SER VAL ILE ILE LYS PRO PHE VAL ASP MET          
SEQRES  11 A  200  GLU HIS PRO GLU THR SER ILE LYS LEU GLU MET ASP GLN          
SEQRES  12 A  200  PRO VAL ASP LEU THR PHE GLY ALA LYS TYR LEU LEU ASP          
SEQRES  13 A  200  ILE ILE LYS GLY SER SER LEU SER ASP ARG VAL GLY ILE          
SEQRES  14 A  200  ARG LEU SER SER GLU ALA PRO ALA LEU PHE GLN PHE ASP          
SEQRES  15 A  200  LEU LYS SER GLY PHE LEU GLN PHE PHE LEU ALA PRO LYS          
SEQRES  16 A  200  PHE ASN ASP GLU GLU                                          
SEQRES   1 B  171  ASP TYR LYS ASP ASP ASP ASP LYS MET LEU GLU ALA LYS          
SEQRES   2 B  171  PHE GLU GLU ALA SER LEU PHE LYS ARG ILE ILE ASP GLY          
SEQRES   3 B  171  PHE LYS ASP CYS VAL GLN LEU VAL ASN PHE GLN CYS LYS          
SEQRES   4 B  171  GLU ASP GLY ILE ILE ALA GLN ALA VAL ASP ASP SER ARG          
SEQRES   5 B  171  VAL LEU LEU VAL SER LEU GLU ILE GLY VAL GLU ALA PHE          
SEQRES   6 B  171  GLN GLU TYR ARG CYS ASP HIS PRO VAL THR LEU GLY MET          
SEQRES   7 B  171  ASP LEU THR SER LEU SER LYS ILE LEU ARG CYS GLY ASN          
SEQRES   8 B  171  ASN THR ASP THR LEU THR LEU ILE ALA ASP ASN THR PRO          
SEQRES   9 B  171  ASP SER ILE ILE LEU LEU PHE GLU ASP THR LYS LYS ASP          
SEQRES  10 B  171  ARG ILE ALA GLU TYR SER LEU LYS LEU MET ASP ILE ASP          
SEQRES  11 B  171  ALA ASP PHE LEU LYS ILE GLU GLU LEU GLN TYR ASP SER          
SEQRES  12 B  171  THR LEU SER LEU PRO SER SER GLU PHE SER LYS ILE VAL          
SEQRES  13 B  171  ARG ASP LEU SER GLN LEU SER ASP SER ILE ASN ILE MET          
SEQRES  14 B  171  ILE THR                                                      
HELIX    1   1 LEU A   45  GLY A   57  1                                  13    
HELIX    2   2 GLU A   59  ASP A   61  5                                   3    
HELIX    3   3 ALA A  145  ILE A  152  1                                   8    
HELIX    4   4 LYS A  153  SER A  158  5                                   6    
HELIX    5   5 GLU B    8  LYS B   20  1                                  13    
HELIX    6   6 GLU B   55  PHE B   57  5                                   3    
HELIX    7   7 LEU B   72  LEU B   79  1                                   8    
HELIX    8   8 SER B  141  SER B  152  1                                  12    
SHEET    1   A 5 GLU A  34  ILE A  39  0                                        
SHEET    2   A 5 ILE A  24  SER A  29 -1  N  ILE A  24   O  ILE A  39           
SHEET    3   A 5 ASP A  87  ARG A  93  1  O  ALA A  91   N  SER A  29           
SHEET    4   A 5 LEU A  63  TYR A  67 -1  N  ARG A  64   O  HIS A  92           
SHEET    5   A 5 ILE A  70  ARG A  71 -1  O  ILE A  70   N  TYR A  67           
SHEET    1   B 4 SER A 113  ILE A 118  0                                        
SHEET    2   B 4 THR A 102  ASP A 108 -1  N  ALA A 107   O  GLY A 114           
SHEET    3   B 4 SER B 157  THR B 163 -1  O  ASN B 159   N  VAL A 106           
SHEET    4   B 4 VAL A 139  GLY A 144 -1  N  LEU A 141   O  ILE B 160           
SHEET    1   C 9 LYS A 132  MET A 135  0                                        
SHEET    2   C 9 SER B 135  PRO B 140 -1  O  THR B 136   N  GLU A 134           
SHEET    3   C 9 ARG A 160  LEU A 165 -1  N  LEU A 165   O  SER B 135           
SHEET    4   C 9 ALA A 171  LEU A 177 -1  O  GLN A 174   N  GLY A 162           
SHEET    5   C 9 GLY A 180  LEU A 186 -1  O  LEU A 182   N  PHE A 175           
SHEET    6   C 9 LEU B  46  GLY B  53 -1  O  SER B  49   N  GLN A 183           
SHEET    7   C 9 GLY B  34  VAL B  40 -1  N  ALA B  37   O  LEU B  50           
SHEET    8   C 9 LEU B  25  LYS B  31 -1  N  GLN B  29   O  ILE B  36           
SHEET    9   C 9 VAL B  66  ASP B  71 -1  O  VAL B  66   N  CYS B  30           
SHEET    1   D 5 GLU B  59  CYS B  62  0                                        
SHEET    2   D 5 LEU B   2  PHE B   6 -1  N  GLU B   3   O  ARG B  61           
SHEET    3   D 5 THR B  87  ALA B  92 -1  O  LEU B  88   N  PHE B   6           
SHEET    4   D 5 SER B  98  GLU B 104 -1  O  ILE B 100   N  ILE B  91           
SHEET    5   D 5 ILE B 111  LYS B 117 -1  O  TYR B 114   N  LEU B 101           
CISPEP   1 ILE A   96    GLY A   97          0         9.10                     
CRYST1  268.816  268.816  268.816  90.00  90.00  90.00 F 4 3 2      96          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.003720  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.003720  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003720        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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