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Database: PDB
Entry: 3THZ
LinkDB: 3THZ
Original site: 3THZ 
HEADER    DNA BINDING PROTEIN/DNA                 19-AUG-11   3THZ              
TITLE     HUMAN MUTSBETA COMPLEXED WITH AN IDL OF 6 BASES (LOOP6) AND ADP       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA MISMATCH REPAIR PROTEIN MSH2;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: HMSH2, MUTS PROTEIN HOMOLOG 2;                              
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: DNA MISMATCH REPAIR PROTEIN MSH3;                          
COMPND   8 CHAIN: B;                                                            
COMPND   9 FRAGMENT: UNP RESIDUES 219- 1134;                                    
COMPND  10 SYNONYM: HMSH3, DIVERGENT UPSTREAM PROTEIN, DUP, MISMATCH REPAIR     
COMPND  11 PROTEIN 1, MRP1;                                                     
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 MOL_ID: 3;                                                           
COMPND  14 MOLECULE: DNA LOOP6 MINUS STRAND;                                    
COMPND  15 CHAIN: D;                                                            
COMPND  16 ENGINEERED: YES;                                                     
COMPND  17 MOL_ID: 4;                                                           
COMPND  18 MOLECULE: DNA LOOP6 PLUS STRAND;                                     
COMPND  19 CHAIN: E;                                                            
COMPND  20 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: MSH2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE   8 EXPRESSION_SYSTEM_CELL_LINE: HI5;                                    
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: DUC1, DUG, MSH3;                                               
SOURCE  14 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE  16 EXPRESSION_SYSTEM_CELL_LINE: HI5;                                    
SOURCE  17 MOL_ID: 3;                                                           
SOURCE  18 SYNTHETIC: YES;                                                      
SOURCE  19 OTHER_DETAILS: CHEMICALLY SYNTHESIZED;                               
SOURCE  20 MOL_ID: 4;                                                           
SOURCE  21 SYNTHETIC: YES;                                                      
SOURCE  22 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
KEYWDS    ABC FAMILY ATPASE, MISMATCH RECOGNITION, MISMATCHED UNPAIRED IDL DNA, 
KEYWDS   2 DNA BINDING PROTEIN-DNA COMPLEX                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.YANG                                                                
REVDAT   3   17-JUL-19 3THZ    1       REMARK DBREF                             
REVDAT   2   26-JUN-13 3THZ    1       JRNL                                     
REVDAT   1   21-DEC-11 3THZ    0                                                
JRNL        AUTH   S.GUPTA,M.GELLERT,W.YANG                                     
JRNL        TITL   MECHANISM OF MISMATCH REPAIR REVEALED BY HUMAN MUTS BOUND TO 
JRNL        TITL 2 UNPAIRED DNA LOOPS                                           
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  19    72 2012              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   22179786                                                     
JRNL        DOI    10.1038/NSMB.2175                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    4.30 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) : 4.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 49.18                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 89.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 16879                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.241                           
REMARK   3   R VALUE            (WORKING SET) : 0.239                           
REMARK   3   FREE R VALUE                     : 0.285                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.920                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 999                             
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 49.1798 -  8.1366    0.95     2539   156  0.1869 0.2303        
REMARK   3     2  8.1366 -  6.4629    0.97     2450   168  0.2308 0.3060        
REMARK   3     3  6.4629 -  5.6473    0.95     2405   140  0.3099 0.3236        
REMARK   3     4  5.6473 -  5.1316    0.93     2343   131  0.2692 0.3050        
REMARK   3     5  5.1316 -  4.7641    0.90     2241   135  0.2547 0.3053        
REMARK   3     6  4.7641 -  4.4834    0.84     2079   133  0.3051 0.3314        
REMARK   3     7  4.4834 -  4.2590    0.74     1823   136  0.3760 0.4272        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.10                                          
REMARK   3   SHRINKAGE RADIUS   : 0.83                                          
REMARK   3   K_SOL              : 0.32                                          
REMARK   3   B_SOL              : 239.6                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.810            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 31.890           
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) : -84.09660                                            
REMARK   3    B22 (A**2) : 108.06830                                            
REMARK   3    B33 (A**2) : -23.97180                                            
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      :  0.013          15664                                  
REMARK   3   ANGLE     :  0.994          20584                                  
REMARK   3   CHIRALITY :  0.062           2369                                  
REMARK   3   PLANARITY :  0.004           2461                                  
REMARK   3   DIHEDRAL  : 17.613           5687                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 52                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 11:117)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  17.8814  -3.7735 -49.7262              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.3001 T22:   2.3923                                     
REMARK   3      T33:   2.1792 T12:   0.4496                                     
REMARK   3      T13:   0.0136 T23:  -0.1861                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1941 L22:   4.6991                                     
REMARK   3      L33:   3.6710 L12:   1.9964                                     
REMARK   3      L13:  -1.0155 L23:  -2.2198                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0273 S12:  -0.7032 S13:   0.0425                       
REMARK   3      S21:  -0.8018 S22:  -0.0769 S23:  -0.0104                       
REMARK   3      S31:   0.8234 S32:   1.7626 S33:  -0.0198                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 118:175)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   9.5974  -6.2176 -23.8360              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2330 T22:   2.4331                                     
REMARK   3      T33:   1.8687 T12:   0.2219                                     
REMARK   3      T13:  -0.0796 T23:  -0.1555                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5147 L22:   2.0996                                     
REMARK   3      L33:   3.6693 L12:  -3.3669                                     
REMARK   3      L13:   1.4306 L23:   1.4580                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0512 S12:  -1.2807 S13:   0.1546                       
REMARK   3      S21:   0.3824 S22:  -0.1018 S23:  -1.0111                       
REMARK   3      S31:  -0.3597 S32:   1.6142 S33:   0.1103                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 176:231)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.4514 -14.5719 -24.0728              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2223 T22:   2.9706                                     
REMARK   3      T33:   2.1463 T12:   0.2832                                     
REMARK   3      T13:  -0.2127 T23:   0.0266                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6488 L22:   3.4184                                     
REMARK   3      L33:   2.8177 L12:   0.9037                                     
REMARK   3      L13:   0.0389 L23:  -0.1810                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2858 S12:  -0.9629 S13:  -0.2452                       
REMARK   3      S21:   0.0987 S22:   0.3906 S23:   0.0809                       
REMARK   3      S31:   0.7261 S32:  -0.1813 S33:  -0.0884                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 232:260)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  21.1687 -11.8178 -11.1113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5800 T22:   3.3911                                     
REMARK   3      T33:   2.7784 T12:  -0.1525                                     
REMARK   3      T13:  -0.2997 T23:   0.8168                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4833 L22:   0.3860                                     
REMARK   3      L33:   1.2239 L12:   0.4460                                     
REMARK   3      L13:   3.0195 L23:  -0.8207                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.8530 S12:  -0.9153 S13:  -0.7818                       
REMARK   3      S21:  -1.3889 S22:  -3.1873 S23:  -0.6767                       
REMARK   3      S31:  -0.6127 S32:   2.9562 S33:  -0.2332                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 261:295)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.5034  -9.2591 -17.6930              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.3612 T22:   3.5182                                     
REMARK   3      T33:   1.8382 T12:   0.1708                                     
REMARK   3      T13:  -0.2191 T23:  -0.3787                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1822 L22:   3.1409                                     
REMARK   3      L33:  -0.4853 L12:  -1.4195                                     
REMARK   3      L13:  -0.3354 L23:  -3.2889                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4497 S12:  -0.9294 S13:   0.2113                       
REMARK   3      S21:  -0.2623 S22:  -0.7750 S23:  -0.4572                       
REMARK   3      S31:  -1.2713 S32:   1.2018 S33:   0.2348                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 296:380)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.1745  11.7427 -15.3015              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5824 T22:   2.6464                                     
REMARK   3      T33:   3.0392 T12:   0.0791                                     
REMARK   3      T13:   0.0725 T23:  -0.6858                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7214 L22:   0.7364                                     
REMARK   3      L33:  -0.7629 L12:   3.1294                                     
REMARK   3      L13:   1.2014 L23:   1.4403                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2100 S12:  -1.2610 S13:   1.6976                       
REMARK   3      S21:   0.3347 S22:   0.1753 S23:   0.4977                       
REMARK   3      S31:  -0.7001 S32:   0.6262 S33:  -0.0255                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 381:441)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.4977  20.1911 -13.8693              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.9299 T22:   3.4336                                     
REMARK   3      T33:   3.1341 T12:  -0.3139                                     
REMARK   3      T13:  -0.2772 T23:  -0.8941                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3113 L22:  -0.6857                                     
REMARK   3      L33:   1.1202 L12:  -0.1172                                     
REMARK   3      L13:  -0.3237 L23:  -2.3500                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1059 S12:  -2.2710 S13:   2.0225                       
REMARK   3      S21:   0.5502 S22:   0.5628 S23:  -0.6418                       
REMARK   3      S31:  -0.1621 S32:   3.3079 S33:   0.0956                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 442:470)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  28.7432  24.6341 -18.5647              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.1838 T22:   4.1545                                     
REMARK   3      T33:   4.6887 T12:  -0.6300                                     
REMARK   3      T13:   0.1758 T23:  -1.2767                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5155 L22:   0.2750                                     
REMARK   3      L33:   0.7955 L12:   0.0493                                     
REMARK   3      L13:   0.5139 L23:   0.8551                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   2.2762 S12:  -2.7952 S13:   3.5803                       
REMARK   3      S21:   2.2219 S22:   1.5802 S23:  -1.3998                       
REMARK   3      S31:  -1.1718 S32:   2.5878 S33:   0.4685                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 471:482)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  45.1880  27.2238 -22.6373              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.6534 T22:   2.7207                                     
REMARK   3      T33:   4.4822 T12:  -0.4947                                     
REMARK   3      T13:  -0.4302 T23:   0.4905                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2161 L22:   0.8235                                     
REMARK   3      L33:   0.2901 L12:  -0.5843                                     
REMARK   3      L13:   0.2787 L23:  -0.4671                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.4540 S12:  -2.4254 S13:  -0.4027                       
REMARK   3      S21:  -0.3102 S22:  -2.9168 S23:  -1.0784                       
REMARK   3      S31:  -2.0710 S32:   1.3484 S33:   0.3071                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 483:554)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  53.9847  36.2889 -50.0096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.0725 T22:   4.5647                                     
REMARK   3      T33:   4.0894 T12:   0.0334                                     
REMARK   3      T13:   0.1184 T23:  -0.4191                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0591 L22:  -1.1800                                     
REMARK   3      L33:  -0.1720 L12:  -0.1781                                     
REMARK   3      L13:   0.7062 L23:   0.1691                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0480 S12:  -0.2958 S13:  -0.1035                       
REMARK   3      S21:   0.4316 S22:  -2.3541 S23:  -0.9643                       
REMARK   3      S31:   0.5183 S32:  -0.0974 S33:  -0.0858                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 555:580)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  48.3608  22.9239 -33.4115              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.0794 T22:   2.5890                                     
REMARK   3      T33:   4.2127 T12:   0.4054                                     
REMARK   3      T13:   0.0398 T23:  -0.1990                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4828 L22:   0.5421                                     
REMARK   3      L33:   1.3625 L12:   0.9869                                     
REMARK   3      L13:   0.1556 L23:  -0.9353                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0748 S12:  -0.4494 S13:   0.6482                       
REMARK   3      S21:   0.2944 S22:  -1.5895 S23:   0.0559                       
REMARK   3      S31:  -0.1221 S32:  -1.9343 S33:  -0.1048                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 581:645)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.9729  14.2651 -13.1159              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8400 T22:   3.3276                                     
REMARK   3      T33:   2.7401 T12:   0.0345                                     
REMARK   3      T13:  -0.0190 T23:  -0.5813                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4227 L22:   0.2750                                     
REMARK   3      L33:  -0.4420 L12:   1.1349                                     
REMARK   3      L13:  -1.2724 L23:  -0.7624                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2124 S12:  -0.7971 S13:   0.1091                       
REMARK   3      S21:   0.5361 S22:   0.1234 S23:  -0.5680                       
REMARK   3      S31:  -0.9010 S32:  -0.0438 S33:   0.0201                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 646:650)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -21.2247  19.8622 -29.1272              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.7198 T22:   2.1395                                     
REMARK   3      T33:   2.8819 T12:  -0.2301                                     
REMARK   3      T13:  -0.3243 T23:   0.3909                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8652 L22:   0.5619                                     
REMARK   3      L33:   0.4050 L12:   0.1234                                     
REMARK   3      L13:  -0.1745 L23:   0.4694                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0367 S12:  -2.3072 S13:  -0.7935                       
REMARK   3      S21:   1.8848 S22:   2.7474 S23:  -0.8354                       
REMARK   3      S31:  -0.4172 S32:   0.0491 S33:   0.0539                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 651:749)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -20.6768   0.8764 -17.0719              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2411 T22:   2.8889                                     
REMARK   3      T33:   2.1331 T12:   0.5033                                     
REMARK   3      T13:   0.0973 T23:  -0.6466                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2145 L22:   5.4864                                     
REMARK   3      L33:   2.2481 L12:   2.8393                                     
REMARK   3      L13:  -0.3993 L23:   0.2640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0082 S12:  -1.4825 S13:   0.9336                       
REMARK   3      S21:   0.1909 S22:   0.2501 S23:  -0.1164                       
REMARK   3      S31:  -0.5952 S32:  -0.5998 S33:   0.0454                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 750:763)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -32.2797 -12.2359 -27.6634              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.0044 T22:   3.0997                                     
REMARK   3      T33:   2.8350 T12:   0.4371                                     
REMARK   3      T13:  -0.6651 T23:   0.1890                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5229 L22:   1.0845                                     
REMARK   3      L33:   0.5072 L12:  -0.1107                                     
REMARK   3      L13:  -0.1238 L23:  -0.2320                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5938 S12:  -2.2109 S13:   2.3081                       
REMARK   3      S21:  -1.5962 S22:   3.9125 S23:   1.1939                       
REMARK   3      S31:   1.0334 S32:  -1.7171 S33:   0.1780                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 764:825)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -34.0864   0.9004 -19.5378              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2943 T22:   2.7807                                     
REMARK   3      T33:   2.6452 T12:   0.6514                                     
REMARK   3      T13:   0.3391 T23:  -0.2283                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1647 L22:   5.4424                                     
REMARK   3      L33:   1.2593 L12:   3.2195                                     
REMARK   3      L13:   2.4212 L23:   1.5857                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4721 S12:  -0.6429 S13:   0.7608                       
REMARK   3      S21:  -0.0626 S22:   0.4647 S23:   1.7808                       
REMARK   3      S31:  -0.5680 S32:   0.2902 S33:  -0.0873                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 826:882)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -48.0998   0.0992 -31.1886              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.4299 T22:   2.4896                                     
REMARK   3      T33:   2.8921 T12:   0.2293                                     
REMARK   3      T13:   0.0302 T23:  -0.3401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0575 L22:   1.3266                                     
REMARK   3      L33:   0.5509 L12:   1.4361                                     
REMARK   3      L13:  -0.2185 L23:   1.3182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5291 S12:   0.2221 S13:   0.6340                       
REMARK   3      S21:   0.3676 S22:  -0.3354 S23:   0.3522                       
REMARK   3      S31:  -1.4533 S32:  -0.1060 S33:   0.0416                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 883:897)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -67.2553 -18.7217 -25.3995              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5304 T22:   3.8272                                     
REMARK   3      T33:   3.4291 T12:   0.0579                                     
REMARK   3      T13:   0.1048 T23:   0.8519                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2325 L22:   3.1949                                     
REMARK   3      L33:   0.9740 L12:   1.6234                                     
REMARK   3      L13:  -0.3390 L23:   1.2008                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3583 S12:  -1.7994 S13:  -0.5096                       
REMARK   3      S21:  -2.8161 S22:  -3.1547 S23:   2.9016                       
REMARK   3      S31:   1.1486 S32:   1.4237 S33:   0.1483                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 898:907)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -79.4045 -20.6097 -29.9489              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1946 T22:   3.5191                                     
REMARK   3      T33:   6.0227 T12:   0.3482                                     
REMARK   3      T13:  -0.3520 T23:  -0.1297                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0269 L22:   4.7469                                     
REMARK   3      L33:   0.2016 L12:   0.3701                                     
REMARK   3      L13:  -0.0544 L23:   0.8903                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -2.9656 S12:  -0.8111 S13:   1.9658                       
REMARK   3      S21:  -1.8402 S22:   0.0001 S23:   1.8887                       
REMARK   3      S31:   2.5987 S32:   0.3796 S33:   0.0410                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 908:930)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -66.1909  -5.1552 -27.8215              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5249 T22:   3.3599                                     
REMARK   3      T33:   3.7794 T12:   0.9487                                     
REMARK   3      T13:  -0.2090 T23:  -0.3054                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8272 L22:   1.2325                                     
REMARK   3      L33:   1.0603 L12:  -0.7346                                     
REMARK   3      L13:   0.2676 L23:   1.9674                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8846 S12:  -1.6562 S13:   1.0622                       
REMARK   3      S21:   0.2053 S22:  -0.5367 S23:  -0.6884                       
REMARK   3      S31:  -1.2078 S32:   0.3068 S33:  -0.2766                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 226:301)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.5136  25.1433 -52.8053              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8991 T22:   2.2766                                     
REMARK   3      T33:   2.7193 T12:  -0.1819                                     
REMARK   3      T13:   0.2710 T23:  -0.4259                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1741 L22:   1.2501                                     
REMARK   3      L33:   1.8332 L12:   0.9914                                     
REMARK   3      L13:   2.2934 L23:   1.4759                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3961 S12:  -0.8669 S13:   0.6564                       
REMARK   3      S21:  -0.4513 S22:  -0.4052 S23:  -1.1793                       
REMARK   3      S31:  -1.5731 S32:   0.2386 S33:  -0.0459                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 302:346)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  11.6744  26.0532 -65.6964              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.7476 T22:   2.5947                                     
REMARK   3      T33:   2.8768 T12:  -0.0022                                     
REMARK   3      T13:   0.4623 T23:  -0.5431                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.3949 L22:  -0.3592                                     
REMARK   3      L33:   2.2309 L12:   2.7695                                     
REMARK   3      L13:   1.5480 L23:  -0.3809                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0384 S12:  -0.0661 S13:   1.4570                       
REMARK   3      S21:  -0.8677 S22:   1.1112 S23:   1.0928                       
REMARK   3      S31:  -0.9140 S32:   1.0953 S33:   0.0097                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 347:367)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   3.1501   2.1607 -63.7696              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.5796 T22:   2.0156                                     
REMARK   3      T33:   3.0069 T12:   0.3374                                     
REMARK   3      T13:  -0.2467 T23:  -0.5995                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.1930 L22:  -0.0327                                     
REMARK   3      L33:  -0.4623 L12:  -1.0920                                     
REMARK   3      L13:   0.3182 L23:   0.5732                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.1832 S12:   3.3053 S13:   0.3134                       
REMARK   3      S21:   1.0284 S22:  -0.0177 S23:  -0.0767                       
REMARK   3      S31:   2.4303 S32:   2.0793 S33:  -0.0120                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 368:405)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -21.1351  15.3370 -61.9133              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.9957 T22:   1.9196                                     
REMARK   3      T33:   2.2743 T12:   0.3271                                     
REMARK   3      T13:   0.1998 T23:   0.1615                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4567 L22:   0.2798                                     
REMARK   3      L33:  -0.4454 L12:   2.2781                                     
REMARK   3      L13:  -0.2620 L23:   3.3256                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   2.2457 S12:  -0.6372 S13:   0.1748                       
REMARK   3      S21:  -1.8378 S22:  -1.7014 S23:  -0.0108                       
REMARK   3      S31:  -2.2410 S32:  -0.0068 S33:   0.0233                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 406:455)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -17.2822  13.2230 -51.8908              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.6031 T22:   1.8854                                     
REMARK   3      T33:   2.4133 T12:   0.4860                                     
REMARK   3      T13:   0.2650 T23:  -0.0484                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1613 L22:   0.0436                                     
REMARK   3      L33:   2.5027 L12:  -0.6467                                     
REMARK   3      L13:  -1.4132 L23:  -0.7676                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0055 S12:  -1.3470 S13:   1.2819                       
REMARK   3      S21:   0.5713 S22:   0.4514 S23:   0.9594                       
REMARK   3      S31:  -0.2104 S32:  -0.3780 S33:   0.0875                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 456:519)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -16.2941  24.8833 -68.5205              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8332 T22:   1.6899                                     
REMARK   3      T33:   2.7829 T12:   0.3504                                     
REMARK   3      T13:   0.3011 T23:   0.3500                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8736 L22:   3.3525                                     
REMARK   3      L33:   1.5709 L12:   0.4047                                     
REMARK   3      L13:  -0.2558 L23:  -0.9886                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1953 S12:   0.5134 S13:   1.6227                       
REMARK   3      S21:   0.7941 S22:   0.3357 S23:   0.9145                       
REMARK   3      S31:  -0.6109 S32:  -1.1724 S33:   0.0517                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 520:577)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -14.3791  -1.3335 -61.1931              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.4573 T22:   1.6039                                     
REMARK   3      T33:   2.1305 T12:   0.1485                                     
REMARK   3      T13:   0.0791 T23:  -0.1787                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5125 L22:   3.4988                                     
REMARK   3      L33:  -0.4305 L12:   3.6697                                     
REMARK   3      L13:  -3.3448 L23:  -1.3348                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0509 S12:   0.3425 S13:   0.3338                       
REMARK   3      S21:  -0.0998 S22:  -0.1150 S23:  -0.1680                       
REMARK   3      S31:  -0.3956 S32:   0.0128 S33:  -0.0214                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 578:588)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -21.4083  -5.4849 -69.2661              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8857 T22:   2.2292                                     
REMARK   3      T33:   2.5102 T12:   0.0064                                     
REMARK   3      T13:  -0.1773 T23:   0.6357                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6794 L22:   0.6703                                     
REMARK   3      L33:   0.5878 L12:   0.0095                                     
REMARK   3      L13:  -0.2537 L23:  -0.2467                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6071 S12:   6.0647 S13:   1.6733                       
REMARK   3      S21:  -0.6253 S22:   0.5719 S23:  -0.5383                       
REMARK   3      S31:  -2.3688 S32:  -1.9811 S33:  -0.1518                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 589:616)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0651 -16.4772 -75.9461              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.6675 T22:   2.8921                                     
REMARK   3      T33:   2.8452 T12:  -0.0450                                     
REMARK   3      T13:   0.2693 T23:   0.4162                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3315 L22:   0.2765                                     
REMARK   3      L33:   0.8322 L12:  -0.4936                                     
REMARK   3      L13:   0.7401 L23:  -0.7583                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.8454 S12:  -0.5748 S13:  -1.7141                       
REMARK   3      S21:  -0.2352 S22:   1.1277 S23:  -0.2196                       
REMARK   3      S31:   1.1038 S32:  -1.6320 S33:  -0.1163                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 617:638)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   3.5643   8.7927 -74.2812              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.9428 T22:   1.7594                                     
REMARK   3      T33:   2.1454 T12:   0.0537                                     
REMARK   3      T13:   0.3823 T23:  -0.6509                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4810 L22:  -0.0627                                     
REMARK   3      L33:   0.9489 L12:  -0.0337                                     
REMARK   3      L13:   0.4014 L23:   0.0733                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.3020 S12:  -0.1976 S13:   0.8887                       
REMARK   3      S21:  -1.6919 S22:   2.0580 S23:  -0.2558                       
REMARK   3      S31:   0.6691 S32:  -0.6007 S33:   0.0248                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 639:686)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.3788  -5.5390 -85.3826              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8278 T22:   2.8252                                     
REMARK   3      T33:   2.4343 T12:  -0.2471                                     
REMARK   3      T13:  -0.1196 T23:  -0.0070                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.4566 L22:   1.6190                                     
REMARK   3      L33:  -0.5655 L12:  -0.2074                                     
REMARK   3      L13:  -1.8462 L23:  -1.9475                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0240 S12:   1.8307 S13:  -0.9074                       
REMARK   3      S21:  -2.0935 S22:   1.4264 S23:  -1.4723                       
REMARK   3      S31:   0.3010 S32:  -0.4347 S33:  -0.0344                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 687:715)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.0843  15.2482 -86.7581              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.6631 T22:   2.5003                                     
REMARK   3      T33:   2.3753 T12:   0.0353                                     
REMARK   3      T13:   0.5091 T23:   0.4070                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9597 L22:   0.7816                                     
REMARK   3      L33:   0.0484 L12:  -0.1095                                     
REMARK   3      L13:  -0.9336 L23:  -0.5022                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5428 S12:   0.4513 S13:   0.6788                       
REMARK   3      S21:  -2.1507 S22:  -0.5178 S23:  -0.0675                       
REMARK   3      S31:   0.5796 S32:  -0.2854 S33:   0.0015                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 716:770)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  44.2791  26.8979 -81.3960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.6664 T22:   2.9336                                     
REMARK   3      T33:   3.2237 T12:   0.6158                                     
REMARK   3      T13:   0.1375 T23:  -0.2751                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0896 L22:   1.7429                                     
REMARK   3      L33:   2.1741 L12:   2.2914                                     
REMARK   3      L13:  -3.3553 L23:  -1.4775                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0920 S12:   1.3551 S13:   0.0064                       
REMARK   3      S21:   0.2020 S22:   0.0471 S23:   0.1997                       
REMARK   3      S31:  -0.2652 S32:   0.4599 S33:   0.1894                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 771:814)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  26.6673  26.2550 -79.2402              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8329 T22:   2.9378                                     
REMARK   3      T33:   2.6963 T12:  -0.1152                                     
REMARK   3      T13:   0.3017 T23:  -0.3095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6782 L22:   2.4958                                     
REMARK   3      L33:   0.2682 L12:  -0.2897                                     
REMARK   3      L13:   0.9583 L23:   0.7329                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4579 S12:   1.1604 S13:   0.4161                       
REMARK   3      S21:  -0.0873 S22:   0.6688 S23:  -0.3816                       
REMARK   3      S31:  -0.2803 S32:   1.3540 S33:   0.1340                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 815:849)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.8641  -7.3785 -73.3248              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5375 T22:   2.0887                                     
REMARK   3      T33:   2.3882 T12:   0.2562                                     
REMARK   3      T13:   0.2052 T23:  -0.1296                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2327 L22:   1.1275                                     
REMARK   3      L33:   3.3385 L12:  -0.2999                                     
REMARK   3      L13:  -0.7371 L23:  -0.9610                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4458 S12:   0.9463 S13:   0.6338                       
REMARK   3      S21:  -0.2199 S22:   0.0369 S23:   0.6329                       
REMARK   3      S31:   0.4918 S32:  -1.2634 S33:  -0.0393                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 850:953)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -25.3480 -15.7384 -53.9403              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.0655 T22:   1.5100                                     
REMARK   3      T33:   2.1339 T12:   0.1330                                     
REMARK   3      T13:  -0.1397 T23:   0.1301                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9245 L22:   3.0589                                     
REMARK   3      L33:   1.3716 L12:   6.2114                                     
REMARK   3      L13:  -1.2788 L23:  -1.1814                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3913 S12:   0.1333 S13:  -0.4143                       
REMARK   3      S21:  -0.5267 S22:   0.6450 S23:  -0.3495                       
REMARK   3      S31:   0.5188 S32:  -1.1166 S33:  -0.0803                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 954:979)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -33.3184  -1.8459 -49.1620              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.2914 T22:   2.0089                                     
REMARK   3      T33:   2.4680 T12:   0.1002                                     
REMARK   3      T13:  -0.1470 T23:   0.1123                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1275 L22:   2.2319                                     
REMARK   3      L33:   1.2049 L12:  -0.7570                                     
REMARK   3      L13:  -0.4366 L23:   0.6627                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4219 S12:   0.0260 S13:   1.2979                       
REMARK   3      S21:   0.4769 S22:   1.0447 S23:   1.9761                       
REMARK   3      S31:  -0.4616 S32:   1.2235 S33:  -0.0942                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 980:1022)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -41.3745  -9.6725 -43.9044              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1154 T22:   2.6324                                     
REMARK   3      T33:   2.5544 T12:   0.0019                                     
REMARK   3      T13:  -0.1767 T23:   0.0465                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3155 L22:   1.7743                                     
REMARK   3      L33:   1.4979 L12:   0.1522                                     
REMARK   3      L13:   0.8555 L23:   1.0777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4406 S12:  -0.1992 S13:   0.2368                       
REMARK   3      S21:   0.8018 S22:   0.0870 S23:   0.9363                       
REMARK   3      S31:   0.6739 S32:  -0.7185 S33:  -0.0830                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 1023:1070)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -29.9712 -23.9561 -40.4356              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.5018 T22:   1.9425                                     
REMARK   3      T33:   2.4867 T12:   0.1524                                     
REMARK   3      T13:   0.0180 T23:   0.2490                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6918 L22:   0.4816                                     
REMARK   3      L33:   1.2500 L12:   0.0607                                     
REMARK   3      L13:  -1.1407 L23:   0.9264                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3338 S12:  -1.8321 S13:   1.8866                       
REMARK   3      S21:  -0.1225 S22:   1.0526 S23:   0.7794                       
REMARK   3      S31:   1.3917 S32:  -1.6682 S33:  -0.0333                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 1071:1129)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -48.1699 -17.6619 -29.1831              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1890 T22:   3.0843                                     
REMARK   3      T33:   2.0624 T12:   0.0357                                     
REMARK   3      T13:   0.3411 T23:   0.1404                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0693 L22:   3.6596                                     
REMARK   3      L33:   4.0386 L12:   3.2367                                     
REMARK   3      L13:  -2.7981 L23:   1.7176                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4186 S12:  -2.5469 S13:   0.1551                       
REMARK   3      S21:  -0.8954 S22:   0.0321 S23:  -0.4258                       
REMARK   3      S31:   0.6743 S32:  -2.3026 S33:  -0.1263                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 3:7)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  59.5818  16.8782 -67.1276              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   4.4900 T22:   5.5200                                     
REMARK   3      T33:   6.0588 T12:   0.7979                                     
REMARK   3      T13:   0.4200 T23:   0.0542                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8618 L22:  -0.0403                                     
REMARK   3      L33:   0.9402 L12:  -0.3518                                     
REMARK   3      L13:   1.0550 L23:  -0.2221                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.7397 S12:   2.3554 S13:   1.7689                       
REMARK   3      S21:  -0.8163 S22:  -2.9259 S23:  -1.3965                       
REMARK   3      S31:  -1.9072 S32:   1.0423 S33:  -0.1803                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 8:11)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  46.0584   7.3754 -60.8648              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   4.5312 T22:   6.8133                                     
REMARK   3      T33:   3.6018 T12:   0.2727                                     
REMARK   3      T13:  -0.7796 T23:   0.8511                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0179 L22:   1.4470                                     
REMARK   3      L33:   0.0107 L12:  -0.0412                                     
REMARK   3      L13:   0.0147 L23:  -0.1588                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7749 S12:  -1.6789 S13:   0.2355                       
REMARK   3      S21:  -3.2937 S22:  -1.8966 S23:  -2.1577                       
REMARK   3      S31:   0.8855 S32:  -0.6915 S33:  -0.5848                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 12:15)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  32.7933  18.2910 -60.8906              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   8.8278 T22:   9.8999                                     
REMARK   3      T33:   3.9770 T12:  -5.3709                                     
REMARK   3      T13:   1.6160 T23:  -0.4242                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8037 L22:   1.4351                                     
REMARK   3      L33:   1.9527 L12:   0.7151                                     
REMARK   3      L13:   2.3896 L23:  -0.5818                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.9029 S12:   0.4517 S13:  -0.5616                       
REMARK   3      S21:  -2.4609 S22:   2.0214 S23:   1.5717                       
REMARK   3      S31:   2.4601 S32:   5.9810 S33:  -0.0801                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 16:19)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  26.2990  32.9133 -57.3093              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   4.1136 T22:   3.2044                                     
REMARK   3      T33:   2.6605 T12:  -0.8371                                     
REMARK   3      T13:   0.1190 T23:  -0.8589                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9947 L22:   2.1105                                     
REMARK   3      L33:   2.0352 L12:   2.2197                                     
REMARK   3      L13:  -7.6832 L23:   2.6907                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7073 S12:  -1.8589 S13:   4.6253                       
REMARK   3      S21:   4.5159 S22:   0.5509 S23:  -1.0910                       
REMARK   3      S31:   3.2886 S32:   1.5440 S33:  -1.0895                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 20:24)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  38.0343  43.9364 -56.2817              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.1231 T22:   3.4866                                     
REMARK   3      T33:   2.4499 T12:  -0.9886                                     
REMARK   3      T13:  -0.1264 T23:   0.2155                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6455 L22:   5.7314                                     
REMARK   3      L33:   8.3003 L12:  -0.3687                                     
REMARK   3      L13:   0.3229 L23:  -5.7713                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7867 S12:  -5.5347 S13:  -0.9547                       
REMARK   3      S21:  -0.2594 S22:   5.0791 S23:   0.6236                       
REMARK   3      S31:  -3.2295 S32:  -2.5293 S33:  -0.1116                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 26:31)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  32.8567  42.3588 -62.8477              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   7.6939 T22:   4.6118                                     
REMARK   3      T33:   3.0304 T12:  -3.7494                                     
REMARK   3      T13:   1.3161 T23:  -1.0878                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5138 L22:   2.0238                                     
REMARK   3      L33:   1.5204 L12:  -5.4838                                     
REMARK   3      L13:  -1.6498 L23:  -7.1892                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.2187 S12:   4.8875 S13:   0.4714                       
REMARK   3      S21:   1.0784 S22:  -1.2179 S23:  -2.5785                       
REMARK   3      S31:   7.7077 S32:  -1.8751 S33:   1.8237                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 32:35)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  32.8553  27.8160 -53.8227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.5873 T22:   2.1405                                     
REMARK   3      T33:   5.3178 T12:  -0.6772                                     
REMARK   3      T13:  -0.3961 T23:  -0.3940                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0626 L22:   1.9873                                     
REMARK   3      L33:   2.0518 L12:   8.7500                                     
REMARK   3      L13:  -5.1849 L23:  -5.9316                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -4.3868 S12:   2.5306 S13:   0.3887                       
REMARK   3      S21:   1.7188 S22:  -0.5688 S23:  -1.0684                       
REMARK   3      S31:  -4.7833 S32:   1.0102 S33:   2.8462                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 36:40)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  24.2983  11.8524 -53.2037              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.0477 T22:   3.3803                                     
REMARK   3      T33:   3.2776 T12:   0.2768                                     
REMARK   3      T13:  -0.2603 T23:  -0.5938                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1543 L22:   2.1704                                     
REMARK   3      L33:   0.3351 L12:  -1.3769                                     
REMARK   3      L13:   0.9013 L23:  -0.5836                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3601 S12:  -1.0257 S13:  -0.2636                       
REMARK   3      S21:   0.8570 S22:   0.2911 S23:  -0.9318                       
REMARK   3      S31:   0.6013 S32:   0.6411 S33:  -0.5038                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 41:45)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  32.4377  10.2603 -66.6738              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   4.2630 T22:   3.7889                                     
REMARK   3      T33:   4.1881 T12:   0.5535                                     
REMARK   3      T13:  -0.3272 T23:  -0.3619                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0324 L22:   0.2684                                     
REMARK   3      L33:   1.1964 L12:   0.0012                                     
REMARK   3      L13:   0.1102 L23:  -0.4929                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   2.8278 S12:  -1.1031 S13:  -0.8722                       
REMARK   3      S21:   0.8194 S22:   0.8185 S23:   2.1826                       
REMARK   3      S31:   7.6690 S32:  -0.7117 S33:   0.1063                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 46:50)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  50.8184  14.1522 -58.8403              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.5674 T22:   6.9905                                     
REMARK   3      T33:   4.3468 T12:   0.5141                                     
REMARK   3      T13:  -0.7597 T23:   0.7209                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.6905 L22:   2.0946                                     
REMARK   3      L33:   2.4356 L12:  -2.1580                                     
REMARK   3      L13:  -1.6728 L23:  -1.0627                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   4.0834 S12:   0.6348 S13:  -2.8167                       
REMARK   3      S21:  -2.0168 S22:  -0.0944 S23:  -4.9841                       
REMARK   3      S31:   2.4632 S32:   0.9144 S33:   0.4179                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 1)                                  
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7250  10.2136 -27.6883              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.2027 T22:   2.4015                                     
REMARK   3      T33:   2.9000 T12:   0.3091                                     
REMARK   3      T13:  -0.3157 T23:  -0.2947                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2331 L22:   0.3867                                     
REMARK   3      L33:   0.9360 L12:  -0.1740                                     
REMARK   3      L13:  -0.5000 L23:   0.5117                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0101 S12:   0.7261 S13:  -0.5904                       
REMARK   3      S21:  -1.1008 S22:   0.4998 S23:   1.1576                       
REMARK   3      S31:   2.8357 S32:  -0.4918 S33:  -0.0710                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: CHAIN D AND RESI 51:53                                 
REMARK   3    ORIGIN FOR THE GROUP (A):  65.0177  11.5284 -63.2668              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   7.4303 T22:  14.1554                                     
REMARK   3      T33:  13.0828 T12:   4.8386                                     
REMARK   3      T13:   5.9838 T23:   9.6854                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7146 L22:   0.0639                                     
REMARK   3      L33:   1.9780 L12:   0.2042                                     
REMARK   3      L13:  -5.3033 L23:  -0.2072                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -3.9659 S12:  -2.8598 S13:   1.2438                       
REMARK   3      S21:  -0.9405 S22:  -0.2131 S23:   1.8833                       
REMARK   3      S31:   1.1021 S32:  -3.8450 S33:  -0.0683                       
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 3THZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-SEP-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000067500.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-AUG-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5-7.5                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-B                            
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                  : MIRROR                             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 300 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 17033                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 4.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.0                               
REMARK 200  DATA REDUNDANCY                : 4.000                              
REMARK 200  R MERGE                    (I) : 0.10200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 4.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 4.37                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.68700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.800                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.26                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.88                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M AMMONIUM ACETATE, 20-25% PEG3350    
REMARK 280  (W/V) AND 0.1M MES PH 6.5-7.5, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
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       51.84000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       80.79500            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       77.31500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       80.79500            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       51.84000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       77.31500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 14330 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 82270 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -115.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, D, E                            
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     ALA A     2                                                      
REMARK 465     VAL A     3                                                      
REMARK 465     GLN A     4                                                      
REMARK 465     PRO A     5                                                      
REMARK 465     LYS A     6                                                      
REMARK 465     GLU A     7                                                      
REMARK 465     THR A     8                                                      
REMARK 465     LEU A     9                                                      
REMARK 465     GLN A    10                                                      
REMARK 465     GLY A   108                                                      
REMARK 465     ASN A   109                                                      
REMARK 465     LYS A   110                                                      
REMARK 465     ALA A   111                                                      
REMARK 465     SER A   142                                                      
REMARK 465     ALA A   143                                                      
REMARK 465     SER A   144                                                      
REMARK 465     VAL A   317                                                      
REMARK 465     GLU A   318                                                      
REMARK 465     ASP A   319                                                      
REMARK 465     THR A   320                                                      
REMARK 465     THR A   321                                                      
REMARK 465     GLY A   322                                                      
REMARK 465     GLN A   518                                                      
REMARK 465     PHE A   519                                                      
REMARK 465     LYS A   546                                                      
REMARK 465     ASN A   547                                                      
REMARK 465     ALA A   714                                                      
REMARK 465     GLY A   715                                                      
REMARK 465     ASP A   716                                                      
REMARK 465     SER A   717                                                      
REMARK 465     GLN A   718                                                      
REMARK 465     TYR A   856                                                      
REMARK 465     ILE A   857                                                      
REMARK 465     GLY A   858                                                      
REMARK 465     GLU A   859                                                      
REMARK 465     SER A   860                                                      
REMARK 465     GLN A   861                                                      
REMARK 465     GLY A   862                                                      
REMARK 465     TYR A   863                                                      
REMARK 465     ASP A   864                                                      
REMARK 465     ILE A   865                                                      
REMARK 465     LYS A   931                                                      
REMARK 465     VAL A   932                                                      
REMARK 465     THR A   933                                                      
REMARK 465     THR A   934                                                      
REMARK 465     GLY B   208                                                      
REMARK 465     PRO B   209                                                      
REMARK 465     LYS B   210                                                      
REMARK 465     SER B   211                                                      
REMARK 465     ALA B   212                                                      
REMARK 465     ASN B   213                                                      
REMARK 465     LYS B   214                                                      
REMARK 465     ARG B   215                                                      
REMARK 465     LEU B   338                                                      
REMARK 465     ILE B   339                                                      
REMARK 465     LYS B   340                                                      
REMARK 465     LEU B   341                                                      
REMARK 465     ASP B   342                                                      
REMARK 465     ASP B   343                                                      
REMARK 465     ALA B   344                                                      
REMARK 465     VAL B   345                                                      
REMARK 465     ASN B   346                                                      
REMARK 465     VAL B   347                                                      
REMARK 465     ASP B   348                                                      
REMARK 465     GLU B   349                                                      
REMARK 465     ILE B   350                                                      
REMARK 465     MET B   351                                                      
REMARK 465     GLU B   367                                                      
REMARK 465     ASN B   368                                                      
REMARK 465     VAL B   369                                                      
REMARK 465     ARG B   370                                                      
REMARK 465     ASP B   371                                                      
REMARK 465     ASP B   470                                                      
REMARK 465     THR B   471                                                      
REMARK 465     VAL B   472                                                      
REMARK 465     ASP B   473                                                      
REMARK 465     ILE B   474                                                      
REMARK 465     LYS B   475                                                      
REMARK 465     GLY B   476                                                      
REMARK 465     SER B   477                                                      
REMARK 465     GLN B   478                                                      
REMARK 465     ILE B   479                                                      
REMARK 465     ILE B   480                                                      
REMARK 465     SER B   481                                                      
REMARK 465     ASP B   934                                                      
REMARK 465     ASN B   935                                                      
REMARK 465     ILE B   936                                                      
REMARK 465     TYR B   937                                                      
REMARK 465     LYS B   938                                                      
REMARK 465     SER B  1026                                                      
REMARK 465     GLU B  1027                                                      
REMARK 465     ASP B  1028                                                      
REMARK 465     GLU B  1029                                                      
REMARK 465     SER B  1030                                                      
REMARK 465     LYS B  1031                                                      
REMARK 465     LEU B  1032                                                      
REMARK 465     ASP B  1033                                                      
REMARK 465     PRO B  1034                                                      
REMARK 465     GLY B  1035                                                      
REMARK 465     ALA B  1036                                                      
REMARK 465     ALA B  1037                                                      
REMARK 465     GLU B  1038                                                      
REMARK 465     GLN B  1039                                                      
REMARK 465     VAL B  1040                                                      
REMARK 465     PRO B  1041                                                      
REMARK 465     ASP B  1042                                                      
REMARK 465     GLU B  1115                                                      
REMARK 465     GLU B  1116                                                      
REMARK 465     PHE B  1117                                                      
REMARK 465     ASN B  1118                                                      
REMARK 465     MET B  1119                                                      
REMARK 465     GLU B  1120                                                      
REMARK 465     GLU B  1121                                                      
REMARK 465     THR B  1122                                                      
REMARK 465     GLN B  1123                                                      
REMARK 465     THR B  1124                                                      
REMARK 465     SER B  1125                                                      
REMARK 465      DC D     1                                                      
REMARK 465      DC D     2                                                      
REMARK 465      DT D     3                                                      
REMARK 465      DA D    24                                                      
REMARK 465      DT E    26                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A 205    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 264    CG   CD   OE1  NE2                                  
REMARK 470     SER A 316    OG                                                  
REMARK 470     SER A 323    OG                                                  
REMARK 470     LYS A 427    CG   CD   CE   NZ                                   
REMARK 470     GLN A 429    CB   CG   CD   OE1  NE2                             
REMARK 470     LYS A 430    CG   CD   CE   NZ                                   
REMARK 470     LYS A 509    CG   CD   CE   NZ                                   
REMARK 470     GLN A 510    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 512    CG   CD   CE   NZ                                   
REMARK 470     ARG A 524    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     THR A 526    OG1  CG2                                            
REMARK 470     CYS A 527    SG                                                  
REMARK 470     ASP A 543    CG   OD1  OD2                                       
REMARK 470     ILE A 544    CG1  CG2  CD1                                       
REMARK 470     ASP A 646    CG   OD1  OD2                                       
REMARK 470     LEU A 719    CG   CD1  CD2                                       
REMARK 470     ASN A 835    CG   OD1  ND2                                       
REMARK 470     LYS A 838    CG   CD   CE   NZ                                   
REMARK 470     MET A 866    CG   SD   CE                                        
REMARK 470     GLU A 867    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 871    CG   CD   CE   NZ                                   
REMARK 470     LYS A 872    CG   CD   CE   NZ                                   
REMARK 470     GLN A 893    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 902    CG   CD   OE1  OE2                                  
REMARK 470     SER A 921    OG                                                  
REMARK 470     SER B 216    OG                                                  
REMARK 470     GLU B 252    CG   CD   OE1  OE2                                  
REMARK 470     SER B 355    OG                                                  
REMARK 470     LYS B 372    CG   CD   CE   NZ                                   
REMARK 470     LYS B 373    CG   CD   CE   NZ                                   
REMARK 470     LYS B 374    CG   CD   CE   NZ                                   
REMARK 470     GLN B 440    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 469    CG   CD   CE   NZ                                   
REMARK 470     LYS B 522    CG   CD   CE   NZ                                   
REMARK 470     MET B 523    CG   SD   CE                                        
REMARK 470     GLN B 683    CG   CD   OE1  NE2                                  
REMARK 470     ASP B 878    CG   OD1  OD2                                       
REMARK 470     ARG B 940    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     SER B 941    OG                                                  
REMARK 470     VAL B1025    CG1  CG2                                            
REMARK 470     PHE B1043    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU A 853   CB    GLU A 853   CG      0.144                       
REMARK 500    GLU A 853   CG    GLU A 853   CD      0.141                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500     DT D   7   C5  -  C4  -  O4  ANGL. DEV. =  -4.4 DEGREES          
REMARK 500     DG D  10   O4' -  C1' -  N9  ANGL. DEV. =   2.1 DEGREES          
REMARK 500     DA D  12   C4' -  C3' -  C2' ANGL. DEV. =  -4.4 DEGREES          
REMARK 500     DA D  12   O4' -  C1' -  N9  ANGL. DEV. =   3.3 DEGREES          
REMARK 500     DC E  30   O4' -  C1' -  N1  ANGL. DEV. =   3.6 DEGREES          
REMARK 500     DA E  37   O4' -  C1' -  N9  ANGL. DEV. =   1.9 DEGREES          
REMARK 500     DC E  43   O4' -  C1' -  N1  ANGL. DEV. =   2.8 DEGREES          
REMARK 500     DT E  44   O4' -  C1' -  N1  ANGL. DEV. =   1.8 DEGREES          
REMARK 500     DG E  52   O4' -  C1' -  N9  ANGL. DEV. =   2.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    VAL A  95      -79.41   -122.78                                   
REMARK 500    ARG A 106       71.40    -69.11                                   
REMARK 500    SER A 153      114.04   -169.45                                   
REMARK 500    VAL A 155      -80.41    -64.20                                   
REMARK 500    ASP A 156       45.22   -101.50                                   
REMARK 500    GLN A 158      105.89    -49.97                                   
REMARK 500    ALA A 207     -174.91    -61.00                                   
REMARK 500    ASP A 209      -60.63    -96.09                                   
REMARK 500    ALA A 230      -39.26    -37.95                                   
REMARK 500    LYS A 235      -77.28    -42.39                                   
REMARK 500    LYS A 249       19.72     56.76                                   
REMARK 500    LEU A 258      142.09    -35.11                                   
REMARK 500    LEU A 302     -168.30   -125.07                                   
REMARK 500    LEU A 310       21.69    -75.72                                   
REMARK 500    ASN A 311       56.99     28.00                                   
REMARK 500    GLN A 377      -79.42    -88.43                                   
REMARK 500    ASP A 379      -75.09   -129.78                                   
REMARK 500    ALA A 398       29.15   -149.13                                   
REMARK 500    ASN A 400     -159.37    -90.27                                   
REMARK 500    LYS A 430      -71.13    -87.54                                   
REMARK 500    THR A 457      -54.20   -123.52                                   
REMARK 500    ASP A 459       96.72    -69.87                                   
REMARK 500    ASN A 465       23.34    -79.53                                   
REMARK 500    PHE A 474      -28.50   -145.46                                   
REMARK 500    ASP A 506      105.54    -44.28                                   
REMARK 500    LYS A 509      -77.13    -54.73                                   
REMARK 500    VAL A 525     -149.50   -139.98                                   
REMARK 500    THR A 526     -148.82   -137.91                                   
REMARK 500    ASN A 536       73.84     48.94                                   
REMARK 500    LYS A 537      -73.08    -56.29                                   
REMARK 500    ASN A 553      140.48    100.77                                   
REMARK 500    ASP A 575       25.38    -71.86                                   
REMARK 500    ALA A 576      -66.86   -102.64                                   
REMARK 500    PRO A 618      145.95    -33.41                                   
REMARK 500    ALA A 636       73.91     42.15                                   
REMARK 500    VAL A 644       41.64   -102.38                                   
REMARK 500    GLN A 645     -178.88    -69.59                                   
REMARK 500    ASP A 646      -72.09    -55.43                                   
REMARK 500    GLU A 647       49.36   -141.45                                   
REMARK 500    LYS A 661      -63.86   -134.43                                   
REMARK 500    GLU A 749       80.35     61.65                                   
REMARK 500    THR A 772      -64.66   -109.07                                   
REMARK 500    ILE A 774      -74.93    -82.81                                   
REMARK 500    ALA A 791       11.23    -56.39                                   
REMARK 500    GLU A 809       38.69   -148.94                                   
REMARK 500    ASP A 823      -84.60    -98.95                                   
REMARK 500    GLU A 852       -9.36    -48.96                                   
REMARK 500    GLN A 879      -70.39    -46.59                                   
REMARK 500    GLN A 893       22.99    -74.47                                   
REMARK 500    SER B 218       52.29   -117.19                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     101 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 935                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3THW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3THX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3THY   RELATED DB: PDB                                   
DBREF  3THZ A    1   934  UNP    P43246   MSH2_HUMAN       1    934             
DBREF1 3THZ B  210  1125  GB                   EAW95862                         
DBREF2 3THZ B     119616268                         210        1125             
DBREF  3THZ D    1    24  PDB    3THZ     3THZ             1     24             
DBREF  3THZ E   26    53  PDB    3THZ     3THZ            26     53             
SEQADV 3THZ GLY B  208  GB   119616268           EXPRESSION TAG                 
SEQADV 3THZ PRO B  209  GB   119616268           EXPRESSION TAG                 
SEQRES   1 A  934  MET ALA VAL GLN PRO LYS GLU THR LEU GLN LEU GLU SER          
SEQRES   2 A  934  ALA ALA GLU VAL GLY PHE VAL ARG PHE PHE GLN GLY MET          
SEQRES   3 A  934  PRO GLU LYS PRO THR THR THR VAL ARG LEU PHE ASP ARG          
SEQRES   4 A  934  GLY ASP PHE TYR THR ALA HIS GLY GLU ASP ALA LEU LEU          
SEQRES   5 A  934  ALA ALA ARG GLU VAL PHE LYS THR GLN GLY VAL ILE LYS          
SEQRES   6 A  934  TYR MET GLY PRO ALA GLY ALA LYS ASN LEU GLN SER VAL          
SEQRES   7 A  934  VAL LEU SER LYS MET ASN PHE GLU SER PHE VAL LYS ASP          
SEQRES   8 A  934  LEU LEU LEU VAL ARG GLN TYR ARG VAL GLU VAL TYR LYS          
SEQRES   9 A  934  ASN ARG ALA GLY ASN LYS ALA SER LYS GLU ASN ASP TRP          
SEQRES  10 A  934  TYR LEU ALA TYR LYS ALA SER PRO GLY ASN LEU SER GLN          
SEQRES  11 A  934  PHE GLU ASP ILE LEU PHE GLY ASN ASN ASP MET SER ALA          
SEQRES  12 A  934  SER ILE GLY VAL VAL GLY VAL LYS MET SER ALA VAL ASP          
SEQRES  13 A  934  GLY GLN ARG GLN VAL GLY VAL GLY TYR VAL ASP SER ILE          
SEQRES  14 A  934  GLN ARG LYS LEU GLY LEU CYS GLU PHE PRO ASP ASN ASP          
SEQRES  15 A  934  GLN PHE SER ASN LEU GLU ALA LEU LEU ILE GLN ILE GLY          
SEQRES  16 A  934  PRO LYS GLU CYS VAL LEU PRO GLY GLY GLU THR ALA GLY          
SEQRES  17 A  934  ASP MET GLY LYS LEU ARG GLN ILE ILE GLN ARG GLY GLY          
SEQRES  18 A  934  ILE LEU ILE THR GLU ARG LYS LYS ALA ASP PHE SER THR          
SEQRES  19 A  934  LYS ASP ILE TYR GLN ASP LEU ASN ARG LEU LEU LYS GLY          
SEQRES  20 A  934  LYS LYS GLY GLU GLN MET ASN SER ALA VAL LEU PRO GLU          
SEQRES  21 A  934  MET GLU ASN GLN VAL ALA VAL SER SER LEU SER ALA VAL          
SEQRES  22 A  934  ILE LYS PHE LEU GLU LEU LEU SER ASP ASP SER ASN PHE          
SEQRES  23 A  934  GLY GLN PHE GLU LEU THR THR PHE ASP PHE SER GLN TYR          
SEQRES  24 A  934  MET LYS LEU ASP ILE ALA ALA VAL ARG ALA LEU ASN LEU          
SEQRES  25 A  934  PHE GLN GLY SER VAL GLU ASP THR THR GLY SER GLN SER          
SEQRES  26 A  934  LEU ALA ALA LEU LEU ASN LYS CYS LYS THR PRO GLN GLY          
SEQRES  27 A  934  GLN ARG LEU VAL ASN GLN TRP ILE LYS GLN PRO LEU MET          
SEQRES  28 A  934  ASP LYS ASN ARG ILE GLU GLU ARG LEU ASN LEU VAL GLU          
SEQRES  29 A  934  ALA PHE VAL GLU ASP ALA GLU LEU ARG GLN THR LEU GLN          
SEQRES  30 A  934  GLU ASP LEU LEU ARG ARG PHE PRO ASP LEU ASN ARG LEU          
SEQRES  31 A  934  ALA LYS LYS PHE GLN ARG GLN ALA ALA ASN LEU GLN ASP          
SEQRES  32 A  934  CYS TYR ARG LEU TYR GLN GLY ILE ASN GLN LEU PRO ASN          
SEQRES  33 A  934  VAL ILE GLN ALA LEU GLU LYS HIS GLU GLY LYS HIS GLN          
SEQRES  34 A  934  LYS LEU LEU LEU ALA VAL PHE VAL THR PRO LEU THR ASP          
SEQRES  35 A  934  LEU ARG SER ASP PHE SER LYS PHE GLN GLU MET ILE GLU          
SEQRES  36 A  934  THR THR LEU ASP MET ASP GLN VAL GLU ASN HIS GLU PHE          
SEQRES  37 A  934  LEU VAL LYS PRO SER PHE ASP PRO ASN LEU SER GLU LEU          
SEQRES  38 A  934  ARG GLU ILE MET ASN ASP LEU GLU LYS LYS MET GLN SER          
SEQRES  39 A  934  THR LEU ILE SER ALA ALA ARG ASP LEU GLY LEU ASP PRO          
SEQRES  40 A  934  GLY LYS GLN ILE LYS LEU ASP SER SER ALA GLN PHE GLY          
SEQRES  41 A  934  TYR TYR PHE ARG VAL THR CYS LYS GLU GLU LYS VAL LEU          
SEQRES  42 A  934  ARG ASN ASN LYS ASN PHE SER THR VAL ASP ILE GLN LYS          
SEQRES  43 A  934  ASN GLY VAL LYS PHE THR ASN SER LYS LEU THR SER LEU          
SEQRES  44 A  934  ASN GLU GLU TYR THR LYS ASN LYS THR GLU TYR GLU GLU          
SEQRES  45 A  934  ALA GLN ASP ALA ILE VAL LYS GLU ILE VAL ASN ILE SER          
SEQRES  46 A  934  SER GLY TYR VAL GLU PRO MET GLN THR LEU ASN ASP VAL          
SEQRES  47 A  934  LEU ALA GLN LEU ASP ALA VAL VAL SER PHE ALA HIS VAL          
SEQRES  48 A  934  SER ASN GLY ALA PRO VAL PRO TYR VAL ARG PRO ALA ILE          
SEQRES  49 A  934  LEU GLU LYS GLY GLN GLY ARG ILE ILE LEU LYS ALA SER          
SEQRES  50 A  934  ARG HIS ALA CYS VAL GLU VAL GLN ASP GLU ILE ALA PHE          
SEQRES  51 A  934  ILE PRO ASN ASP VAL TYR PHE GLU LYS ASP LYS GLN MET          
SEQRES  52 A  934  PHE HIS ILE ILE THR GLY PRO ASN MET GLY GLY LYS SER          
SEQRES  53 A  934  THR TYR ILE ARG GLN THR GLY VAL ILE VAL LEU MET ALA          
SEQRES  54 A  934  GLN ILE GLY CYS PHE VAL PRO CYS GLU SER ALA GLU VAL          
SEQRES  55 A  934  SER ILE VAL ASP CYS ILE LEU ALA ARG VAL GLY ALA GLY          
SEQRES  56 A  934  ASP SER GLN LEU LYS GLY VAL SER THR PHE MET ALA GLU          
SEQRES  57 A  934  MET LEU GLU THR ALA SER ILE LEU ARG SER ALA THR LYS          
SEQRES  58 A  934  ASP SER LEU ILE ILE ILE ASP GLU LEU GLY ARG GLY THR          
SEQRES  59 A  934  SER THR TYR ASP GLY PHE GLY LEU ALA TRP ALA ILE SER          
SEQRES  60 A  934  GLU TYR ILE ALA THR LYS ILE GLY ALA PHE CYS MET PHE          
SEQRES  61 A  934  ALA THR HIS PHE HIS GLU LEU THR ALA LEU ALA ASN GLN          
SEQRES  62 A  934  ILE PRO THR VAL ASN ASN LEU HIS VAL THR ALA LEU THR          
SEQRES  63 A  934  THR GLU GLU THR LEU THR MET LEU TYR GLN VAL LYS LYS          
SEQRES  64 A  934  GLY VAL CYS ASP GLN SER PHE GLY ILE HIS VAL ALA GLU          
SEQRES  65 A  934  LEU ALA ASN PHE PRO LYS HIS VAL ILE GLU CYS ALA LYS          
SEQRES  66 A  934  GLN LYS ALA LEU GLU LEU GLU GLU PHE GLN TYR ILE GLY          
SEQRES  67 A  934  GLU SER GLN GLY TYR ASP ILE MET GLU PRO ALA ALA LYS          
SEQRES  68 A  934  LYS CYS TYR LEU GLU ARG GLU GLN GLY GLU LYS ILE ILE          
SEQRES  69 A  934  GLN GLU PHE LEU SER LYS VAL LYS GLN MET PRO PHE THR          
SEQRES  70 A  934  GLU MET SER GLU GLU ASN ILE THR ILE LYS LEU LYS GLN          
SEQRES  71 A  934  LEU LYS ALA GLU VAL ILE ALA LYS ASN ASN SER PHE VAL          
SEQRES  72 A  934  ASN GLU ILE ILE SER ARG ILE LYS VAL THR THR                  
SEQRES   1 B  918  GLY PRO LYS SER ALA ASN LYS ARG SER LYS SER ILE TYR          
SEQRES   2 B  918  THR PRO LEU GLU LEU GLN TYR ILE GLU MET LYS GLN GLN          
SEQRES   3 B  918  HIS LYS ASP ALA VAL LEU CYS VAL GLU CYS GLY TYR LYS          
SEQRES   4 B  918  TYR ARG PHE PHE GLY GLU ASP ALA GLU ILE ALA ALA ARG          
SEQRES   5 B  918  GLU LEU ASN ILE TYR CYS HIS LEU ASP HIS ASN PHE MET          
SEQRES   6 B  918  THR ALA SER ILE PRO THR HIS ARG LEU PHE VAL HIS VAL          
SEQRES   7 B  918  ARG ARG LEU VAL ALA LYS GLY TYR LYS VAL GLY VAL VAL          
SEQRES   8 B  918  LYS GLN THR GLU THR ALA ALA LEU LYS ALA ILE GLY ASP          
SEQRES   9 B  918  ASN ARG SER SER LEU PHE SER ARG LYS LEU THR ALA LEU          
SEQRES  10 B  918  TYR THR LYS SER THR LEU ILE GLY GLU ASP VAL ASN PRO          
SEQRES  11 B  918  LEU ILE LYS LEU ASP ASP ALA VAL ASN VAL ASP GLU ILE          
SEQRES  12 B  918  MET THR ASP THR SER THR SER TYR LEU LEU CYS ILE SER          
SEQRES  13 B  918  GLU ASN LYS GLU ASN VAL ARG ASP LYS LYS LYS GLY ASN          
SEQRES  14 B  918  ILE PHE ILE GLY ILE VAL GLY VAL GLN PRO ALA THR GLY          
SEQRES  15 B  918  GLU VAL VAL PHE ASP SER PHE GLN ASP SER ALA SER ARG          
SEQRES  16 B  918  SER GLU LEU GLU THR ARG MET SER SER LEU GLN PRO VAL          
SEQRES  17 B  918  GLU LEU LEU LEU PRO SER ALA LEU SER GLU GLN THR GLU          
SEQRES  18 B  918  ALA LEU ILE HIS ARG ALA THR SER VAL SER VAL GLN ASP          
SEQRES  19 B  918  ASP ARG ILE ARG VAL GLU ARG MET ASP ASN ILE TYR PHE          
SEQRES  20 B  918  GLU TYR SER HIS ALA PHE GLN ALA VAL THR GLU PHE TYR          
SEQRES  21 B  918  ALA LYS ASP THR VAL ASP ILE LYS GLY SER GLN ILE ILE          
SEQRES  22 B  918  SER GLY ILE VAL ASN LEU GLU LYS PRO VAL ILE CYS SER          
SEQRES  23 B  918  LEU ALA ALA ILE ILE LYS TYR LEU LYS GLU PHE ASN LEU          
SEQRES  24 B  918  GLU LYS MET LEU SER LYS PRO GLU ASN PHE LYS GLN LEU          
SEQRES  25 B  918  SER SER LYS MET GLU PHE MET THR ILE ASN GLY THR THR          
SEQRES  26 B  918  LEU ARG ASN LEU GLU ILE LEU GLN ASN GLN THR ASP MET          
SEQRES  27 B  918  LYS THR LYS GLY SER LEU LEU TRP VAL LEU ASP HIS THR          
SEQRES  28 B  918  LYS THR SER PHE GLY ARG ARG LYS LEU LYS LYS TRP VAL          
SEQRES  29 B  918  THR GLN PRO LEU LEU LYS LEU ARG GLU ILE ASN ALA ARG          
SEQRES  30 B  918  LEU ASP ALA VAL SER GLU VAL LEU HIS SER GLU SER SER          
SEQRES  31 B  918  VAL PHE GLY GLN ILE GLU ASN HIS LEU ARG LYS LEU PRO          
SEQRES  32 B  918  ASP ILE GLU ARG GLY LEU CYS SER ILE TYR HIS LYS LYS          
SEQRES  33 B  918  CYS SER THR GLN GLU PHE PHE LEU ILE VAL LYS THR LEU          
SEQRES  34 B  918  TYR HIS LEU LYS SER GLU PHE GLN ALA ILE ILE PRO ALA          
SEQRES  35 B  918  VAL ASN SER HIS ILE GLN SER ASP LEU LEU ARG THR VAL          
SEQRES  36 B  918  ILE LEU GLU ILE PRO GLU LEU LEU SER PRO VAL GLU HIS          
SEQRES  37 B  918  TYR LEU LYS ILE LEU ASN GLU GLN ALA ALA LYS VAL GLY          
SEQRES  38 B  918  ASP LYS THR GLU LEU PHE LYS ASP LEU SER ASP PHE PRO          
SEQRES  39 B  918  LEU ILE LYS LYS ARG LYS ASP GLU ILE GLN GLY VAL ILE          
SEQRES  40 B  918  ASP GLU ILE ARG MET HIS LEU GLN GLU ILE ARG LYS ILE          
SEQRES  41 B  918  LEU LYS ASN PRO SER ALA GLN TYR VAL THR VAL SER GLY          
SEQRES  42 B  918  GLN GLU PHE MET ILE GLU ILE LYS ASN SER ALA VAL SER          
SEQRES  43 B  918  CYS ILE PRO THR ASP TRP VAL LYS VAL GLY SER THR LYS          
SEQRES  44 B  918  ALA VAL SER ARG PHE HIS SER PRO PHE ILE VAL GLU ASN          
SEQRES  45 B  918  TYR ARG HIS LEU ASN GLN LEU ARG GLU GLN LEU VAL LEU          
SEQRES  46 B  918  ASP CYS SER ALA GLU TRP LEU ASP PHE LEU GLU LYS PHE          
SEQRES  47 B  918  SER GLU HIS TYR HIS SER LEU CYS LYS ALA VAL HIS HIS          
SEQRES  48 B  918  LEU ALA THR VAL ASP CYS ILE PHE SER LEU ALA LYS VAL          
SEQRES  49 B  918  ALA LYS GLN GLY ASP TYR CYS ARG PRO THR VAL GLN GLU          
SEQRES  50 B  918  GLU ARG LYS ILE VAL ILE LYS ASN GLY ARG HIS PRO VAL          
SEQRES  51 B  918  ILE ASP VAL LEU LEU GLY GLU GLN ASP GLN TYR VAL PRO          
SEQRES  52 B  918  ASN ASN THR ASP LEU SER GLU ASP SER GLU ARG VAL MET          
SEQRES  53 B  918  ILE ILE THR GLY PRO ASN MET GLY GLY LYS SER SER TYR          
SEQRES  54 B  918  ILE LYS GLN VAL ALA LEU ILE THR ILE MET ALA GLN ILE          
SEQRES  55 B  918  GLY SER TYR VAL PRO ALA GLU GLU ALA THR ILE GLY ILE          
SEQRES  56 B  918  VAL ASP GLY ILE PHE THR ARG MET GLY ALA ALA ASP ASN          
SEQRES  57 B  918  ILE TYR LYS GLY ARG SER THR PHE MET GLU GLU LEU THR          
SEQRES  58 B  918  ASP THR ALA GLU ILE ILE ARG LYS ALA THR SER GLN SER          
SEQRES  59 B  918  LEU VAL ILE LEU ASP GLU LEU GLY ARG GLY THR SER THR          
SEQRES  60 B  918  HIS ASP GLY ILE ALA ILE ALA TYR ALA THR LEU GLU TYR          
SEQRES  61 B  918  PHE ILE ARG ASP VAL LYS SER LEU THR LEU PHE VAL THR          
SEQRES  62 B  918  HIS TYR PRO PRO VAL CYS GLU LEU GLU LYS ASN TYR SER          
SEQRES  63 B  918  HIS GLN VAL GLY ASN TYR HIS MET GLY PHE LEU VAL SER          
SEQRES  64 B  918  GLU ASP GLU SER LYS LEU ASP PRO GLY ALA ALA GLU GLN          
SEQRES  65 B  918  VAL PRO ASP PHE VAL THR PHE LEU TYR GLN ILE THR ARG          
SEQRES  66 B  918  GLY ILE ALA ALA ARG SER TYR GLY LEU ASN VAL ALA LYS          
SEQRES  67 B  918  LEU ALA ASP VAL PRO GLY GLU ILE LEU LYS LYS ALA ALA          
SEQRES  68 B  918  HIS LYS SER LYS GLU LEU GLU GLY LEU ILE ASN THR LYS          
SEQRES  69 B  918  ARG LYS ARG LEU LYS TYR PHE ALA LYS LEU TRP THR MET          
SEQRES  70 B  918  HIS ASN ALA GLN ASP LEU GLN LYS TRP THR GLU GLU PHE          
SEQRES  71 B  918  ASN MET GLU GLU THR GLN THR SER                              
SEQRES   1 D   24   DC  DC  DT  DC  DT  DA  DT  DC  DT  DG  DA  DA  DG          
SEQRES   2 D   24   DC  DC  DG  DA  DT  DC  DG  DA  DT  DG  DA                  
SEQRES   1 E   28   DT  DC  DA  DT  DC  DG  DA  DT  DC  DG  DC  DA  DC          
SEQRES   2 E   28   DA  DC  DA  DG  DC  DT  DT  DC  DA  DG  DA  DT  DA          
SEQRES   3 E   28   DG  DG                                                      
HET    ADP  A 935      27                                                       
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
FORMUL   5  ADP    C10 H15 N5 O10 P2                                            
HELIX    1   1 GLU A   12  GLY A   25  1                                  14    
HELIX    2   2 GLY A   47  VAL A   57  1                                  11    
HELIX    3   3 SER A   81  VAL A   95  1                                  15    
HELIX    4   4 PHE A  131  PHE A  136  1                                   6    
HELIX    5   5 PHE A  184  GLY A  195  1                                  12    
HELIX    6   6 ASP A  209  GLY A  220  1                                  12    
HELIX    7   7 LYS A  228  SER A  233  5                                   6    
HELIX    8   8 ASP A  236  LEU A  245  1                                  10    
HELIX    9   9 PRO A  259  GLU A  262  5                                   4    
HELIX   10  10 ASN A  263  LEU A  277  1                                  15    
HELIX   11  11 GLU A  278  PHE A  286  5                                   9    
HELIX   12  12 ASP A  303  LEU A  310  1                                   8    
HELIX   13  13 SER A  325  ASN A  331  1                                   7    
HELIX   14  14 THR A  335  GLN A  348  1                                  14    
HELIX   15  15 ASP A  352  GLU A  368  1                                  17    
HELIX   16  16 ASP A  369  ASP A  379  1                                  11    
HELIX   17  17 ASP A  386  ARG A  396  1                                  11    
HELIX   18  18 ASN A  400  ASN A  412  1                                  13    
HELIX   19  19 GLN A  413  LYS A  423  1                                  11    
HELIX   20  20 LYS A  430  VAL A  435  1                                   6    
HELIX   21  21 PHE A  436  PHE A  447  1                                  12    
HELIX   22  22 PHE A  447  THR A  456  1                                  10    
HELIX   23  23 GLN A  462  HIS A  466  5                                   5    
HELIX   24  24 ASP A  475  SER A  498  1                                  24    
HELIX   25  25 LYS A  555  SER A  586  1                                  32    
HELIX   26  26 TYR A  588  GLY A  614  1                                  27    
HELIX   27  27 HIS A  639  VAL A  644  1                                   6    
HELIX   28  28 GLY A  674  GLY A  692  1                                  19    
HELIX   29  29 SER A  723  ARG A  737  1                                  15    
HELIX   30  30 SER A  755  LYS A  773  1                                  19    
HELIX   31  31 PHE A  784  GLN A  793  5                                  10    
HELIX   32  32 PHE A  826  ALA A  834  1                                   9    
HELIX   33  33 HIS A  839  LEU A  851  1                                  13    
HELIX   34  34 GLU A  867  GLN A  893  1                                  27    
HELIX   35  35 SER A  900  ASN A  919  1                                  20    
HELIX   36  36 ASN A  920  ILE A  930  1                                  11    
HELIX   37  37 THR B  221  GLN B  232  1                                  12    
HELIX   38  38 GLY B  251  ASN B  262  1                                  12    
HELIX   39  39 ARG B  280  LYS B  291  1                                  12    
HELIX   40  40 THR B  303  ALA B  308  1                                   6    
HELIX   41  41 ARG B  402  GLN B  413  1                                  12    
HELIX   42  42 SER B  424  SER B  438  1                                  15    
HELIX   43  43 GLU B  455  TYR B  467  1                                  13    
HELIX   44  44 GLU B  487  LYS B  502  1                                  16    
HELIX   45  45 LEU B  506  SER B  511  5                                   6    
HELIX   46  46 LYS B  512  GLU B  514  5                                   3    
HELIX   47  47 ASN B  529  LEU B  536  1                                   8    
HELIX   48  48 SER B  550  ASP B  556  1                                   7    
HELIX   49  49 THR B  560  GLN B  573  1                                  14    
HELIX   50  50 LYS B  577  SER B  594  1                                  18    
HELIX   51  51 SER B  596  LEU B  609  1                                  14    
HELIX   52  52 ASP B  611  HIS B  621  1                                  11    
HELIX   53  53 SER B  625  PHE B  643  1                                  19    
HELIX   54  54 ILE B  646  HIS B  653  1                                   8    
HELIX   55  55 LEU B  658  LEU B  670  1                                  13    
HELIX   56  56 PRO B  672  ILE B  679  1                                   8    
HELIX   57  57 ASN B  681  GLY B  688  1                                   8    
HELIX   58  58 PHE B  700  MET B  719  1                                  20    
HELIX   59  59 MET B  719  LEU B  728  1                                  10    
HELIX   60  60 SER B  750  ILE B  755  5                                   6    
HELIX   61  61 SER B  773  SER B  806  1                                  34    
HELIX   62  62 HIS B  808  GLN B  834  1                                  27    
HELIX   63  63 VAL B  857  LEU B  862  1                                   6    
HELIX   64  64 MET B  890  GLY B  910  1                                  21    
HELIX   65  65 THR B  942  ALA B  957  1                                  16    
HELIX   66  66 SER B  973  ASP B  991  1                                  19    
HELIX   67  67 TYR B 1002  CYS B 1006  5                                   5    
HELIX   68  68 GLU B 1007  TYR B 1012  1                                   6    
HELIX   69  69 SER B 1058  LYS B 1065  1                                   8    
HELIX   70  70 PRO B 1070  TRP B 1102  1                                  33    
HELIX   71  71 GLN B 1108  LYS B 1112  5                                   5    
SHEET    1   A 6 LYS A  65  MET A  67  0                                        
SHEET    2   A 6 LEU A  75  LEU A  80 -1  O  SER A  77   N  LYS A  65           
SHEET    3   A 6 TYR A  43  HIS A  46 -1  N  TYR A  43   O  LEU A  80           
SHEET    4   A 6 THR A  33  ASP A  38 -1  N  PHE A  37   O  THR A  44           
SHEET    5   A 6 ARG A  99  ASN A 105  1  O  TYR A 103   N  ASP A  38           
SHEET    6   A 6 TRP A 117  ALA A 123 -1  O  TYR A 121   N  VAL A 102           
SHEET    1   B 6 LEU A 223  ARG A 227  0                                        
SHEET    2   B 6 GLU A 198  PRO A 202  1  N  CYS A 199   O  LEU A 223           
SHEET    3   B 6 VAL A 147  MET A 152  1  N  VAL A 148   O  VAL A 200           
SHEET    4   B 6 GLN A 160  ASP A 167 -1  O  GLY A 162   N  LYS A 151           
SHEET    5   B 6 LYS A 172  PRO A 179 -1  O  PHE A 178   N  VAL A 161           
SHEET    6   B 6 GLU A 290  THR A 293  1  O  GLU A 290   N  LEU A 173           
SHEET    1   C 2 LYS A 512  ASP A 514  0                                        
SHEET    2   C 2 TYR A 522  ARG A 524 -1  O  ARG A 524   N  LYS A 512           
SHEET    1   D 4 ALA A 623  LEU A 625  0                                        
SHEET    2   D 4 SER A 699  SER A 703  1  O  VAL A 702   N  LEU A 625           
SHEET    3   D 4 ILE A 632  SER A 637 -1  N  ILE A 633   O  GLU A 701           
SHEET    4   D 4 ASN A 653  PHE A 657 -1  O  ASN A 653   N  SER A 637           
SHEET    1   E 6 ILE A 708  ARG A 711  0                                        
SHEET    2   E 6 LEU A 744  ASP A 748  1  O  ILE A 746   N  ARG A 711           
SHEET    3   E 6 PHE A 777  ALA A 781  1  O  MET A 779   N  ILE A 747           
SHEET    4   E 6 PHE A 664  THR A 668  1  N  HIS A 665   O  PHE A 780           
SHEET    5   E 6 VAL A 797  THR A 807  1  O  ASN A 798   N  PHE A 664           
SHEET    6   E 6 THR A 810  LYS A 819 -1  O  LYS A 818   N  HIS A 801           
SHEET    1   F 6 HIS B 266  ASP B 268  0                                        
SHEET    2   F 6 PHE B 271  PRO B 277 -1  O  THR B 273   N  HIS B 266           
SHEET    3   F 6 LYS B 246  PHE B 250 -1  N  TYR B 247   O  ILE B 276           
SHEET    4   F 6 ALA B 237  CYS B 243 -1  N  VAL B 241   O  ARG B 248           
SHEET    5   F 6 LYS B 294  GLN B 300  1  O  GLY B 296   N  VAL B 238           
SHEET    6   F 6 ARG B 319  TYR B 325 -1  O  ALA B 323   N  VAL B 297           
SHEET    1   G 6 ARG B 445  MET B 449  0                                        
SHEET    2   G 6 PRO B 414  PRO B 420  1  N  LEU B 417   O  ARG B 445           
SHEET    3   G 6 TYR B 358  ASN B 365  1  N  TYR B 358   O  VAL B 415           
SHEET    4   G 6 ILE B 377  GLN B 385 -1  O  GLY B 380   N  SER B 363           
SHEET    5   G 6 GLU B 390  ASP B 398 -1  O  ASP B 394   N  ILE B 381           
SHEET    6   G 6 PHE B 516  GLN B 518  1  O  LYS B 517   N  VAL B 391           
SHEET    1   H 7 THR B 527  ILE B 528  0                                        
SHEET    2   H 7 GLY B 925  ARG B 929  1  O  ILE B 926   N  THR B 527           
SHEET    3   H 7 SER B 961  ASP B 966  1  O  LEU B 962   N  PHE B 927           
SHEET    4   H 7 LEU B 995  VAL B 999  1  O  LEU B 997   N  VAL B 963           
SHEET    5   H 7 VAL B 882  THR B 886  1  N  MET B 883   O  PHE B 998           
SHEET    6   H 7 VAL B1016  PHE B1023  1  O  GLY B1017   N  ILE B 884           
SHEET    7   H 7 TYR B1048  ARG B1052 -1  O  THR B1051   N  HIS B1020           
SHEET    1   I 4 VAL B 736  VAL B 738  0                                        
SHEET    2   I 4 GLN B 741  LYS B 748 -1  O  MET B 744   N  VAL B 736           
SHEET    3   I 4 VAL B 768  HIS B 772 -1  O  SER B 769   N  ILE B 747           
SHEET    4   I 4 VAL B 760  SER B 764 -1  N  GLY B 763   O  ARG B 770           
SHEET    1   J 4 THR B 841  GLN B 843  0                                        
SHEET    2   J 4 GLU B 917  GLY B 921  1  O  ILE B 920   N  GLN B 843           
SHEET    3   J 4 ILE B 848  GLY B 853 -1  N  VAL B 849   O  THR B 919           
SHEET    4   J 4 ASN B 871  LEU B 875 -1  O  THR B 873   N  ILE B 850           
SITE     1 AC1 10 PHE A 650  ILE A 651  PRO A 670  ASN A 671                    
SITE     2 AC1 10 MET A 672  GLY A 674  LYS A 675  SER A 676                    
SITE     3 AC1 10 THR A 677  TYR A 815                                          
CRYST1  103.680  154.630  161.590  90.00  90.00  90.00 P 21 21 21    4          
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      0.009645  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.006467  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006189        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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