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Database: PDB
Entry: 3K77
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Original site: 3K77 
HEADER    PROTEIN BINDING                         12-OCT-09   3K77              
TITLE     X-RAY CRYSTAL STRUCTURE OF XRCC1                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA REPAIR PROTEIN XRCC1;                                  
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 SYNONYM: X-RAY REPAIR CROSS-COMPLEMENTING PROTEIN 1;                 
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 STRAIN: HUMAN;                                                       
SOURCE   6 GENE: XRCC1;                                                         
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21-DE3;                                  
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
KEYWDS    XRCC1, BASE EXCISION REPAIR, SCAFFOLDING PROTEIN, DNA DAMAGE, DNA     
KEYWDS   2 REPAIR, NUCLEUS, PHOSPHOPROTEIN, POLYMORPHISM, UBL CONJUGATION,      
KEYWDS   3 PROTEIN BINDING                                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.J.CUNEO,R.E.LONDON                                                  
REVDAT   2   01-NOV-17 3K77    1       REMARK                                   
REVDAT   1   28-APR-10 3K77    0                                                
JRNL        AUTH   M.J.CUNEO,R.E.LONDON                                         
JRNL        TITL   OXIDATION STATE OF THE XRCC1 N-TERMINAL DOMAIN REGULATES DNA 
JRNL        TITL 2 POLYMERASE BETA BINDING AFFINITY.                            
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 107  6805 2010              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   20351257                                                     
JRNL        DOI    10.1073/PNAS.0914077107                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
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 : TWIN_LSQ_F                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.34                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 32108                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.202                           
REMARK   3   R VALUE            (WORKING SET) : 0.200                           
REMARK   3   FREE R VALUE                     : 0.237                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.150                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1652                            
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 29.3370 -  6.5210    0.98     1936   103  0.1770 0.1790        
REMARK   3     2  6.5210 -  5.1850    0.98     1945   110  0.1930 0.1990        
REMARK   3     3  5.1850 -  4.5320    0.98     1905   107  0.1690 0.1990        
REMARK   3     4  4.5320 -  4.1190    0.98     1880    96  0.1420 0.2040        
REMARK   3     5  4.1190 -  3.8250    0.98     1857    92  0.1770 0.2570        
REMARK   3     6  3.8250 -  3.5990    0.98     1928   106  0.1850 0.2050        
REMARK   3     7  3.5990 -  3.4190    0.98     1925   103  0.1630 0.1820        
REMARK   3     8  3.4190 -  3.2710    0.98     1951    93  0.1660 0.2150        
REMARK   3     9  3.2710 -  3.1450    0.98     1902   113  0.1930 0.2270        
REMARK   3    10  3.1450 -  3.0370    0.98     1960    94  0.2270 0.2580        
REMARK   3    11  3.0370 -  2.9420    0.98     1852   107  0.2820 0.3460        
REMARK   3    12  2.9420 -  2.8580    0.98     1937    93  0.2820 0.3170        
REMARK   3    13  2.8580 -  2.7830    0.98     1877   107  0.2950 0.3520        
REMARK   3    14  2.7830 -  2.7150    0.98     1896   109  0.2810 0.3360        
REMARK   3    15  2.7150 -  2.6530    0.98     1932    95  0.2920 0.3410        
REMARK   3    16  2.6530 -  2.5970    0.98     1795   102  0.3360 0.3750        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.36                                          
REMARK   3   B_SOL              : 30.98                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : NULL             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL             
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 39.02                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -3.56400                                             
REMARK   3    B22 (A**2) : 4.30400                                              
REMARK   3    B33 (A**2) : -9.46900                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -1.64200                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: 0.3940                                                   
REMARK   3   OPERATOR: H,-K,-L                                                  
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           9564                                  
REMARK   3   ANGLE     :  0.972          12915                                  
REMARK   3   CHIRALITY :  0.064           1411                                  
REMARK   3   PLANARITY :  0.005           1690                                  
REMARK   3   DIHEDRAL  : 23.502           5965                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 72                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 2:25)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  20.4275  14.7087  16.4610              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0382 T22:   0.1035                                     
REMARK   3      T33:   0.0634 T12:   0.0478                                     
REMARK   3      T13:  -0.0161 T23:   0.0164                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4436 L22:   0.7606                                     
REMARK   3      L33:   3.5237 L12:   0.1589                                     
REMARK   3      L13:  -0.1999 L23:   0.4120                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3665 S12:  -0.0447 S13:   0.1634                       
REMARK   3      S21:   0.2523 S22:   0.3059 S23:   0.0019                       
REMARK   3      S31:   0.5952 S32:  -0.3378 S33:   0.1678                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 26:32)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  21.1772  13.1985  26.5481              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1232 T22:   0.6022                                     
REMARK   3      T33:   0.4544 T12:  -0.0318                                     
REMARK   3      T13:   0.0537 T23:   0.1332                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0465 L22:  -0.0898                                     
REMARK   3      L33:  -0.0330 L12:  -0.0475                                     
REMARK   3      L13:  -0.0506 L23:  -0.0699                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1454 S12:  -0.1544 S13:   0.0952                       
REMARK   3      S21:   0.3089 S22:  -0.3337 S23:  -0.0609                       
REMARK   3      S31:  -0.4666 S32:   0.0732 S33:   0.0010                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 33:40)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  24.8382   1.8010  13.6849              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2156 T22:   0.3078                                     
REMARK   3      T33:   0.5321 T12:   0.0224                                     
REMARK   3      T13:  -0.1607 T23:  -0.0524                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0891 L22:  -0.0181                                     
REMARK   3      L33:  -0.0224 L12:   0.0997                                     
REMARK   3      L13:   0.1304 L23:  -0.0503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3696 S12:   0.6402 S13:  -0.8217                       
REMARK   3      S21:  -0.2358 S22:   0.4012 S23:  -0.1612                       
REMARK   3      S31:   0.1954 S32:   0.5100 S33:   0.0051                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 41:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  29.7492  18.1999  14.0628              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1344 T22:   0.2104                                     
REMARK   3      T33:   0.1954 T12:   0.0711                                     
REMARK   3      T13:  -0.0119 T23:  -0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6353 L22:   0.2652                                     
REMARK   3      L33:   0.4591 L12:   0.0291                                     
REMARK   3      L13:   0.0817 L23:  -0.3828                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1481 S12:   0.1106 S13:   0.4157                       
REMARK   3      S21:   0.2379 S22:  -0.1655 S23:  -0.0507                       
REMARK   3      S31:   0.1567 S32:  -0.1471 S33:  -0.0015                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 77:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  28.3729  20.6727  -0.5288              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5573 T22:   0.1272                                     
REMARK   3      T33:   1.5158 T12:  -0.0998                                     
REMARK   3      T13:   0.2343 T23:  -0.0857                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0045 L22:  -0.0254                                     
REMARK   3      L33:  -0.0059 L12:   0.0086                                     
REMARK   3      L13:  -0.0103 L23:  -0.0151                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1885 S12:  -0.0476 S13:  -0.1047                       
REMARK   3      S21:  -0.0649 S22:  -0.1610 S23:  -0.0323                       
REMARK   3      S31:   0.1264 S32:  -0.1175 S33:  -0.0008                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 84:109)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  37.9567   7.8125  18.0649              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0532 T22:   0.4057                                     
REMARK   3      T33:   0.1655 T12:   0.1043                                     
REMARK   3      T13:  -0.0357 T23:  -0.0562                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.1888 L22:   1.9775                                     
REMARK   3      L33:   0.0592 L12:  -0.2868                                     
REMARK   3      L13:  -0.1810 L23:   0.0486                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0676 S12:   0.2945 S13:   0.0069                       
REMARK   3      S21:   0.3083 S22:   0.0522 S23:  -0.2953                       
REMARK   3      S31:   0.0421 S32:  -0.0088 S33:  -0.0547                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 110:115)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  40.7340  21.5569  20.8683              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0630 T22:   0.2657                                     
REMARK   3      T33:   0.5235 T12:  -0.0423                                     
REMARK   3      T13:  -0.1266 T23:   0.0394                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0275 L22:   0.2791                                     
REMARK   3      L33:   0.9575 L12:   0.0738                                     
REMARK   3      L13:  -0.1854 L23:   0.1568                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0370 S12:   0.0717 S13:  -0.1335                       
REMARK   3      S21:   0.1792 S22:   0.0021 S23:  -0.0918                       
REMARK   3      S31:   0.4123 S32:   0.3778 S33:  -0.0043                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 116:134)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  33.2012  22.0101  11.1371              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0344 T22:  -0.1896                                     
REMARK   3      T33:   0.0243 T12:  -0.3312                                     
REMARK   3      T13:   0.1317 T23:   0.3458                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7529 L22:   0.3026                                     
REMARK   3      L33:   0.9177 L12:  -0.4332                                     
REMARK   3      L13:  -0.3382 L23:   0.2966                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0414 S12:  -0.0005 S13:   0.3000                       
REMARK   3      S21:   0.0944 S22:   0.0965 S23:  -0.0511                       
REMARK   3      S31:   0.1668 S32:   0.1444 S33:   0.2384                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 135:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  31.2246  10.5358  18.6663              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3259 T22:   0.1921                                     
REMARK   3      T33:   0.1574 T12:  -0.0750                                     
REMARK   3      T13:  -0.0585 T23:   0.0234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5565 L22:   1.0793                                     
REMARK   3      L33:   0.4732 L12:  -0.3381                                     
REMARK   3      L13:   0.1158 L23:   0.2061                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3011 S12:  -0.2313 S13:   0.2050                       
REMARK   3      S21:   1.1231 S22:   0.1734 S23:  -0.1828                       
REMARK   3      S31:   0.2796 S32:  -0.1528 S33:   0.0200                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 2:7)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  20.8211  26.7475  55.0878              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3832 T22:   0.6902                                     
REMARK   3      T33:   0.1652 T12:  -0.2987                                     
REMARK   3      T13:  -0.0860 T23:   0.0840                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0314 L22:   0.1410                                     
REMARK   3      L33:  -0.0277 L12:   0.0611                                     
REMARK   3      L13:   0.0545 L23:  -0.0087                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1038 S12:  -0.2114 S13:   0.3176                       
REMARK   3      S21:   0.4961 S22:  -0.2624 S23:  -0.1431                       
REMARK   3      S31:  -0.0042 S32:  -0.1065 S33:   0.0003                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 8:25)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  12.5044  12.9907  54.5076              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0738 T22:  -0.5358                                     
REMARK   3      T33:   0.1167 T12:   0.1081                                     
REMARK   3      T13:  -0.0525 T23:   0.0993                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0220 L22:   0.2378                                     
REMARK   3      L33:   0.1661 L12:  -0.0532                                     
REMARK   3      L13:   0.1385 L23:   0.3393                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0002 S12:   0.0523 S13:   0.0455                       
REMARK   3      S21:   0.0173 S22:  -0.0258 S23:   0.0712                       
REMARK   3      S31:   0.1150 S32:  -0.1721 S33:  -0.1619                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 26:32)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  24.5496  13.6146  54.7591              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1746 T22:   0.3703                                     
REMARK   3      T33:   0.4380 T12:  -0.1283                                     
REMARK   3      T13:  -0.1095 T23:  -0.1266                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0372 L22:   0.1098                                     
REMARK   3      L33:   0.1542 L12:   0.0467                                     
REMARK   3      L13:   0.1022 L23:   0.0325                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2602 S12:  -0.2083 S13:   0.2952                       
REMARK   3      S21:   0.2821 S22:  -0.0491 S23:  -0.4588                       
REMARK   3      S31:  -0.4833 S32:   0.6038 S33:   0.0029                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 33:72)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  14.3376  18.4076  45.9110              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1156 T22:   0.1520                                     
REMARK   3      T33:   0.1292 T12:   0.0604                                     
REMARK   3      T13:   0.0238 T23:  -0.0401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6763 L22:   0.0779                                     
REMARK   3      L33:   0.6948 L12:  -0.1055                                     
REMARK   3      L13:   0.0027 L23:  -0.1967                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0602 S12:   0.0615 S13:  -0.0706                       
REMARK   3      S21:   0.0558 S22:   0.0096 S23:  -0.1612                       
REMARK   3      S31:  -0.1128 S32:   0.0723 S33:  -0.0003                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 73:82)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   2.4366  28.6427  48.3510              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1900 T22:  -0.1756                                     
REMARK   3      T33:   1.2003 T12:  -0.0489                                     
REMARK   3      T13:  -0.4212 T23:   0.3651                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2972 L22:   0.1171                                     
REMARK   3      L33:   1.3416 L12:  -0.5277                                     
REMARK   3      L13:  -0.1109 L23:   0.7490                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0246 S12:  -0.0687 S13:  -0.0979                       
REMARK   3      S21:  -0.0008 S22:  -0.0538 S23:   0.4429                       
REMARK   3      S31:   0.2380 S32:  -0.0464 S33:  -0.2153                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 83:104)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  15.3596  14.0091  36.2358              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2128 T22:   0.2965                                     
REMARK   3      T33:   0.1397 T12:   0.0458                                     
REMARK   3      T13:   0.0240 T23:  -0.0198                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3906 L22:   0.2297                                     
REMARK   3      L33:  -0.0140 L12:   0.2986                                     
REMARK   3      L13:  -0.0878 L23:  -0.0268                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0511 S12:   0.3859 S13:  -0.0735                       
REMARK   3      S21:  -0.1444 S22:  -0.0949 S23:   0.4848                       
REMARK   3      S31:   0.2133 S32:  -0.1034 S33:   0.0003                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 105:112)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  24.1612  16.0421  38.7639              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.4164 T22:   0.2980                                     
REMARK   3      T33:   0.1882 T12:  -0.1533                                     
REMARK   3      T13:   0.0852 T23:  -0.0495                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8446 L22:   0.0604                                     
REMARK   3      L33:   0.6837 L12:  -0.3166                                     
REMARK   3      L13:  -0.8288 L23:   0.1133                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2015 S12:  -0.4709 S13:   0.2491                       
REMARK   3      S21:  -0.0378 S22:   0.0533 S23:  -0.1111                       
REMARK   3      S31:  -0.1742 S32:   0.3795 S33:   0.7904                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 113:123)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4722  32.2848  37.3223              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5018 T22:   0.3777                                     
REMARK   3      T33:   0.0933 T12:   0.2786                                     
REMARK   3      T13:  -0.0344 T23:  -0.0739                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0493 L22:   0.0789                                     
REMARK   3      L33:   0.5493 L12:   0.1146                                     
REMARK   3      L13:   0.1716 L23:   0.1370                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2199 S12:   0.6296 S13:   0.1490                       
REMARK   3      S21:   0.0834 S22:  -0.1841 S23:  -0.1125                       
REMARK   3      S31:  -0.4477 S32:   0.6990 S33:  -0.0042                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 124:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.3391  17.7688  44.4804              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0493 T22:   0.0503                                     
REMARK   3      T33:   0.0641 T12:   0.0026                                     
REMARK   3      T13:   0.0028 T23:   0.0707                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8454 L22:   4.7027                                     
REMARK   3      L33:   1.3820 L12:  -1.4410                                     
REMARK   3      L13:  -0.6683 L23:  -0.0561                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0702 S12:   0.4056 S13:  -0.0074                       
REMARK   3      S21:   0.3402 S22:  -0.1661 S23:  -0.6396                       
REMARK   3      S31:   0.0899 S32:   0.0033 S33:   0.0002                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 2:25)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.1699  55.5948  29.8614              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.4393 T22:   0.1778                                     
REMARK   3      T33:  -0.1421 T12:  -0.1856                                     
REMARK   3      T13:   0.4140 T23:   0.0561                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1930 L22:   0.7639                                     
REMARK   3      L33:   0.1481 L12:   0.4027                                     
REMARK   3      L13:  -0.1255 L23:  -0.1742                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2715 S12:   0.2840 S13:   0.0716                       
REMARK   3      S21:  -0.1292 S22:   0.3449 S23:  -0.0952                       
REMARK   3      S31:  -0.0450 S32:  -0.1703 S33:  -0.3085                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 26:32)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.3407  57.4802  19.8816              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3791 T22:   0.6383                                     
REMARK   3      T33:   0.0158 T12:   0.0652                                     
REMARK   3      T13:  -0.0008 T23:   0.0882                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8791 L22:   1.1181                                     
REMARK   3      L33:   1.4682 L12:  -1.0224                                     
REMARK   3      L13:  -1.3373 L23:   0.9551                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6106 S12:  -0.1890 S13:  -0.3430                       
REMARK   3      S21:  -0.1905 S22:  -0.0843 S23:  -0.0113                       
REMARK   3      S31:   0.9094 S32:  -0.1555 S33:  -0.0839                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 33:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   1.2423  62.3660  34.8411              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1083 T22:   0.1004                                     
REMARK   3      T33:   0.0449 T12:  -0.0572                                     
REMARK   3      T13:   0.3155 T23:   0.0245                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0883 L22:   1.4928                                     
REMARK   3      L33:   0.3954 L12:  -0.3129                                     
REMARK   3      L13:  -0.0095 L23:  -0.1072                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0497 S12:   0.0783 S13:   0.1346                       
REMARK   3      S21:   0.1880 S22:  -0.2866 S23:  -0.2540                       
REMARK   3      S31:  -0.1821 S32:   0.2926 S33:  -0.0074                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 50:80)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   6.1006  50.3038  32.0894              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0156 T22:   0.1286                                     
REMARK   3      T33:   0.1394 T12:   0.1178                                     
REMARK   3      T13:  -0.0417 T23:  -0.0101                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7249 L22:   1.8389                                     
REMARK   3      L33:   1.4312 L12:   0.1839                                     
REMARK   3      L13:  -0.1991 L23:  -0.7386                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3200 S12:   0.1895 S13:  -0.1183                       
REMARK   3      S21:   0.0413 S22:  -0.0969 S23:   0.1984                       
REMARK   3      S31:   0.1303 S32:   0.5054 S33:   0.0014                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 81:102)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  12.6954  60.4265  33.7598              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1352 T22:   0.2217                                     
REMARK   3      T33:   0.1439 T12:   0.0218                                     
REMARK   3      T13:   0.0262 T23:   0.0539                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4823 L22:   0.9368                                     
REMARK   3      L33:   1.2402 L12:  -0.2243                                     
REMARK   3      L13:  -0.3977 L23:  -0.5503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0447 S12:  -0.2672 S13:   0.2173                       
REMARK   3      S21:   0.4839 S22:   0.3550 S23:   0.2296                       
REMARK   3      S31:  -0.1948 S32:   0.3463 S33:   0.0857                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 103:109)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.1252  64.4190  21.6923              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2191 T22:   0.1544                                     
REMARK   3      T33:   0.2648 T12:  -0.0215                                     
REMARK   3      T13:  -0.0527 T23:  -0.0031                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0403 L22:  -0.1046                                     
REMARK   3      L33:  -0.0564 L12:   0.0486                                     
REMARK   3      L13:  -0.0015 L23:   0.0006                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0759 S12:   0.1100 S13:   0.2432                       
REMARK   3      S21:  -0.6281 S22:  -0.2012 S23:  -0.3823                       
REMARK   3      S31:  -0.2985 S32:   0.3024 S33:   0.0002                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 110:119)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  16.6873  47.4965  28.3080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4603 T22:   0.1376                                     
REMARK   3      T33:   0.0189 T12:   0.1032                                     
REMARK   3      T13:   0.0619 T23:  -0.0253                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0617 L22:   0.6066                                     
REMARK   3      L33:   0.2093 L12:   0.6516                                     
REMARK   3      L13:   0.2177 L23:  -0.3312                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3136 S12:   0.5229 S13:  -0.5156                       
REMARK   3      S21:  -0.2797 S22:  -0.1813 S23:  -0.4444                       
REMARK   3      S31:   0.0672 S32:   0.4374 S33:  -0.0283                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 120:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   6.7988  57.4816  33.0003              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0624 T22:  -0.0357                                     
REMARK   3      T33:   0.1878 T12:  -0.0064                                     
REMARK   3      T13:  -0.0327 T23:   0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6386 L22:   1.1286                                     
REMARK   3      L33:   0.8865 L12:  -0.2640                                     
REMARK   3      L13:  -0.0293 L23:  -0.6545                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0492 S12:   0.1053 S13:  -0.0127                       
REMARK   3      S21:  -0.1180 S22:  -0.2314 S23:  -0.0413                       
REMARK   3      S31:   0.1715 S32:   0.1241 S33:  -0.1941                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 148:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   6.5800  44.8323  23.5030              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2251 T22:   0.3851                                     
REMARK   3      T33:   0.0367 T12:  -0.2969                                     
REMARK   3      T13:   0.1219 T23:   0.0886                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9619 L22:  -0.1503                                     
REMARK   3      L33:   1.8703 L12:  -0.4837                                     
REMARK   3      L13:   1.1184 L23:  -0.1216                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0832 S12:   0.3761 S13:  -0.1185                       
REMARK   3      S21:  -0.0127 S22:   0.0629 S23:  -0.0157                       
REMARK   3      S31:   0.4415 S32:  -0.3310 S33:   0.2344                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 2:17)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  27.4040  61.6410  21.0999              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0509 T22:  -0.0596                                     
REMARK   3      T33:   0.0969 T12:  -0.0244                                     
REMARK   3      T13:   0.0126 T23:   0.2760                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3634 L22:   4.0252                                     
REMARK   3      L33:   2.1917 L12:   0.8151                                     
REMARK   3      L13:   0.2516 L23:   2.4205                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0383 S12:   0.2075 S13:   0.1172                       
REMARK   3      S21:   0.3243 S22:   0.1581 S23:   0.4630                       
REMARK   3      S31:   0.3877 S32:  -0.1175 S33:  -0.1894                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 18:29)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  27.2124  56.3935  26.6376              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3223 T22:   0.1670                                     
REMARK   3      T33:   0.1915 T12:  -0.0796                                     
REMARK   3      T13:   0.0200 T23:   0.0612                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3453 L22:   0.1211                                     
REMARK   3      L33:  -0.1842 L12:  -0.5889                                     
REMARK   3      L13:   0.3550 L23:  -0.3396                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0121 S12:  -0.6437 S13:   0.2903                       
REMARK   3      S21:   0.4546 S22:   0.0865 S23:   0.2095                       
REMARK   3      S31:  -0.7257 S32:   0.2801 S33:  -0.0376                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 31:75)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  35.3044  60.9730  20.4875              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0290 T22:  -0.0838                                     
REMARK   3      T33:   0.1466 T12:  -0.0958                                     
REMARK   3      T13:  -0.0534 T23:  -0.0033                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9884 L22:   0.2905                                     
REMARK   3      L33:   2.5043 L12:  -0.2841                                     
REMARK   3      L13:  -0.8859 L23:   0.2220                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0602 S12:  -0.0070 S13:  -0.1316                       
REMARK   3      S21:   0.1954 S22:  -0.0757 S23:  -0.0470                       
REMARK   3      S31:   0.3196 S32:   0.4440 S33:  -0.2524                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 76:82)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  33.0609  69.5725   6.4973              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3573 T22:   0.8530                                     
REMARK   3      T33:   1.2697 T12:   0.4037                                     
REMARK   3      T13:   0.1088 T23:  -0.4201                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0145 L22:   0.0456                                     
REMARK   3      L33:  -0.0003 L12:  -0.0324                                     
REMARK   3      L13:   0.0157 L23:   0.0079                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1481 S12:   0.1007 S13:   0.1057                       
REMARK   3      S21:   0.0600 S22:   0.3216 S23:   0.2066                       
REMARK   3      S31:  -0.1120 S32:  -0.0393 S33:   0.0020                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 83:106)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  45.4885  56.0983  21.2184              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1950 T22:   0.1595                                     
REMARK   3      T33:   0.2841 T12:  -0.0295                                     
REMARK   3      T13:  -0.0851 T23:   0.0856                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9475 L22:   0.2328                                     
REMARK   3      L33:   0.5101 L12:   0.1912                                     
REMARK   3      L13:  -0.0967 L23:   0.4518                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3701 S12:   0.3676 S13:  -0.6195                       
REMARK   3      S21:   0.0075 S22:   0.2890 S23:  -0.1965                       
REMARK   3      S31:  -0.1253 S32:   0.4497 S33:  -0.0009                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 107:112)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  44.8223  62.0710  29.6840              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0817 T22:   0.3973                                     
REMARK   3      T33:  -0.0446 T12:   0.0061                                     
REMARK   3      T13:  -0.1260 T23:  -0.1660                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2944 L22:   0.8448                                     
REMARK   3      L33:   0.8629 L12:  -1.0703                                     
REMARK   3      L13:  -1.0173 L23:   0.9371                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2195 S12:   0.3707 S13:   0.0232                       
REMARK   3      S21:   0.3200 S22:   0.2063 S23:  -0.3361                       
REMARK   3      S31:   0.4613 S32:   0.3259 S33:   0.2168                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 113:126)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  41.2912  75.2613  20.8388              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5341 T22:   0.1756                                     
REMARK   3      T33:   0.3189 T12:  -0.1066                                     
REMARK   3      T13:   0.0064 T23:  -0.1331                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2099 L22:   0.3202                                     
REMARK   3      L33:   0.3953 L12:   0.5314                                     
REMARK   3      L13:  -0.4116 L23:  -0.1688                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0435 S12:  -0.3005 S13:   1.1220                       
REMARK   3      S21:   0.3851 S22:   0.3403 S23:  -0.1482                       
REMARK   3      S31:  -0.4747 S32:   0.0768 S33:   0.0330                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 127:140)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  40.5041  53.7004  16.6495              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1856 T22:   0.1480                                     
REMARK   3      T33:   0.0606 T12:  -0.0764                                     
REMARK   3      T13:  -0.0717 T23:  -0.0786                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9577 L22:   4.8785                                     
REMARK   3      L33:   0.1982 L12:  -2.4254                                     
REMARK   3      L13:  -0.1151 L23:  -0.1261                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1102 S12:   0.2469 S13:  -0.3180                       
REMARK   3      S21:  -0.0638 S22:   0.0322 S23:   0.8163                       
REMARK   3      S31:   0.1596 S32:   0.0259 S33:   0.0179                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 141:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  35.9526  62.5683  27.0825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1456 T22:  -0.1563                                     
REMARK   3      T33:  -0.1090 T12:  -0.4493                                     
REMARK   3      T13:  -0.2299 T23:  -0.2753                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4434 L22:   0.0379                                     
REMARK   3      L33:   0.5713 L12:   0.1061                                     
REMARK   3      L13:   0.9574 L23:  -0.8464                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2462 S12:  -0.0721 S13:  -0.1237                       
REMARK   3      S21:   0.4297 S22:   0.0071 S23:  -0.4770                       
REMARK   3      S31:  -0.2126 S32:  -0.3226 S33:   0.1802                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 2:23)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  18.1518  52.6574  12.7412              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.2933 T22:   0.2133                                     
REMARK   3      T33:   0.1482 T12:  -0.1872                                     
REMARK   3      T13:  -0.3498 T23:  -0.0858                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0693 L22:  -0.0489                                     
REMARK   3      L33:   0.8910 L12:   0.3066                                     
REMARK   3      L13:  -0.9649 L23:  -0.1241                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1056 S12:  -0.4981 S13:  -0.1600                       
REMARK   3      S21:  -0.0215 S22:  -0.1199 S23:  -0.2092                       
REMARK   3      S31:   0.5054 S32:  -0.6874 S33:  -1.1479                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 24:29)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  10.2983  50.5105  12.8835              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2041 T22:  -0.0097                                     
REMARK   3      T33:   0.9392 T12:  -0.2290                                     
REMARK   3      T13:   0.2576 T23:   0.3243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0022 L22:   0.1443                                     
REMARK   3      L33:  -0.3126 L12:  -0.0157                                     
REMARK   3      L13:  -0.4922 L23:   0.1876                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3300 S12:   0.0705 S13:   0.1401                       
REMARK   3      S21:   0.0688 S22:   0.1238 S23:   0.4010                       
REMARK   3      S31:  -0.3425 S32:   0.1100 S33:  -0.2158                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 31:40)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  18.1029  64.1259   8.0719              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2619 T22:   0.0714                                     
REMARK   3      T33:   0.3797 T12:   0.0171                                     
REMARK   3      T13:   0.0417 T23:   0.1389                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9637 L22:   0.5106                                     
REMARK   3      L33:   1.4228 L12:   0.2727                                     
REMARK   3      L13:   2.1302 L23:   0.4881                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0265 S12:  -0.2710 S13:   0.1622                       
REMARK   3      S21:  -0.1563 S22:   0.1669 S23:  -0.3458                       
REMARK   3      S31:  -0.7276 S32:  -0.5860 S33:  -0.1956                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 41:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  19.2413  48.6897   3.2783              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2478 T22:   0.1916                                     
REMARK   3      T33:   0.1318 T12:  -0.0579                                     
REMARK   3      T13:  -0.0860 T23:   0.0091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5196 L22:   0.2323                                     
REMARK   3      L33:   0.8379 L12:  -0.0824                                     
REMARK   3      L13:   0.0615 L23:   0.2909                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1393 S12:   0.0489 S13:  -0.2130                       
REMARK   3      S21:   0.2021 S22:   0.1237 S23:  -0.1922                       
REMARK   3      S31:   0.5685 S32:   0.0784 S33:   0.0038                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 77:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  33.9486  46.4835   3.0012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.9764 T22:   0.8267                                     
REMARK   3      T33:   1.2251 T12:   0.7375                                     
REMARK   3      T13:   0.0673 T23:   0.0792                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0058 L22:   0.0182                                     
REMARK   3      L33:  -0.0044 L12:   0.0024                                     
REMARK   3      L13:   0.0098 L23:  -0.0110                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0175 S12:  -0.0509 S13:   0.1589                       
REMARK   3      S21:   0.0541 S22:   0.0093 S23:   0.1242                       
REMARK   3      S31:   0.0052 S32:   0.0544 S33:  -0.0012                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 84:99)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  17.6439  55.8421  -5.5444              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1288 T22:   0.2203                                     
REMARK   3      T33:   0.1592 T12:  -0.0105                                     
REMARK   3      T13:   0.0094 T23:   0.0313                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6100 L22:   0.7237                                     
REMARK   3      L33:   0.2543 L12:   0.1186                                     
REMARK   3      L13:  -0.0053 L23:  -0.2295                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0202 S12:   0.6951 S13:   0.1663                       
REMARK   3      S21:   0.1368 S22:   0.2127 S23:   0.0170                       
REMARK   3      S31:   0.1905 S32:   0.2123 S33:  -0.0313                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 100:109)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   8.5356  63.0537  -3.6562              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1113 T22:  -0.0095                                     
REMARK   3      T33:   0.1795 T12:  -0.0056                                     
REMARK   3      T13:  -0.0706 T23:   0.2116                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9900 L22:   1.1635                                     
REMARK   3      L33:   2.3170 L12:   0.7427                                     
REMARK   3      L13:  -1.7820 L23:  -0.6499                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3848 S12:   0.0750 S13:   0.2464                       
REMARK   3      S21:   0.0335 S22:   0.3405 S23:   0.4928                       
REMARK   3      S31:  -0.0235 S32:  -0.3001 S33:   0.3450                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 110:124)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  16.8886  40.7017  -5.3730              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4098 T22:   0.3228                                     
REMARK   3      T33:   0.4550 T12:  -0.0484                                     
REMARK   3      T13:  -0.1934 T23:  -0.0720                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0973 L22:   0.0719                                     
REMARK   3      L33:   0.0126 L12:   0.0343                                     
REMARK   3      L13:  -0.0545 L23:   0.0270                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3884 S12:  -0.4179 S13:  -0.5389                       
REMARK   3      S21:   0.5792 S22:  -0.2944 S23:   0.0539                       
REMARK   3      S31:   0.7805 S32:   0.2586 S33:  -0.0026                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 125:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.6285  54.2684   2.3096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1702 T22:   0.0123                                     
REMARK   3      T33:  -0.0141 T12:   0.0420                                     
REMARK   3      T13:  -0.0999 T23:   0.0922                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0907 L22:   0.7767                                     
REMARK   3      L33:   1.5988 L12:  -0.0909                                     
REMARK   3      L13:   0.3786 L23:  -0.3721                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1463 S12:  -0.3389 S13:  -0.5734                       
REMARK   3      S21:   0.1244 S22:  -0.1668 S23:   0.1287                       
REMARK   3      S31:  -0.3620 S32:  -0.2858 S33:   0.7803                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 2:25)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.6349  52.6070  -8.0820              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1055 T22:   0.1472                                     
REMARK   3      T33:  -0.0381 T12:  -0.1013                                     
REMARK   3      T13:   0.0486 T23:   0.0632                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4357 L22:   3.3490                                     
REMARK   3      L33:   0.9464 L12:  -0.3454                                     
REMARK   3      L13:   0.1235 L23:   1.0514                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0466 S12:   0.2598 S13:   0.2353                       
REMARK   3      S21:  -0.4112 S22:   0.4289 S23:  -0.3020                       
REMARK   3      S31:  -0.0466 S32:   0.4460 S33:   1.1585                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 26:32)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   0.0727  55.8011  -8.0769              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2832 T22:   0.4195                                     
REMARK   3      T33:   0.2060 T12:  -0.2122                                     
REMARK   3      T13:   0.0811 T23:   0.2430                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3187 L22:   0.3162                                     
REMARK   3      L33:   3.6399 L12:   1.1172                                     
REMARK   3      L13:   2.9263 L23:   1.2341                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3720 S12:   0.4790 S13:  -0.2095                       
REMARK   3      S21:  -0.0622 S22:   0.3665 S23:  -0.3518                       
REMARK   3      S31:   0.4304 S32:   0.7320 S33:   0.1843                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 33:41)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -14.4849  63.6333   0.1107              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2123 T22:   0.0963                                     
REMARK   3      T33:   0.4372 T12:   0.0712                                     
REMARK   3      T13:  -0.0427 T23:  -0.0144                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0310 L22:   0.0743                                     
REMARK   3      L33:   0.4587 L12:   0.1384                                     
REMARK   3      L13:  -0.0075 L23:  -0.1119                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1901 S12:  -0.1417 S13:   0.9073                       
REMARK   3      S21:   0.0688 S22:   0.1329 S23:   0.2509                       
REMARK   3      S31:   0.0405 S32:  -0.3021 S33:   0.0035                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 42:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -14.2961  50.1890  -3.1316              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1189 T22:  -0.0441                                     
REMARK   3      T33:   0.1224 T12:   0.1414                                     
REMARK   3      T13:   0.0680 T23:   0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2357 L22:   0.5631                                     
REMARK   3      L33:   0.4089 L12:  -0.2874                                     
REMARK   3      L13:   0.1788 L23:  -0.1767                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1623 S12:  -0.2443 S13:  -0.0470                       
REMARK   3      S21:  -0.2842 S22:   0.0435 S23:   0.2908                       
REMARK   3      S31:   0.2471 S32:  -0.1142 S33:   0.0356                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 50:59)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.2597  39.0353  -1.8273              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3784 T22:   0.2966                                     
REMARK   3      T33:   0.3498 T12:   0.1505                                     
REMARK   3      T13:  -0.1653 T23:  -0.0360                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1115 L22:   0.0278                                     
REMARK   3      L33:   0.0508 L12:  -0.0006                                     
REMARK   3      L13:  -0.0670 L23:   0.0979                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3993 S12:   0.3021 S13:   0.1940                       
REMARK   3      S21:   0.1104 S22:   0.4036 S23:  -0.2750                       
REMARK   3      S31:   0.8441 S32:   0.5537 S33:   0.0004                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 60:73)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.5264  53.0135   5.5845              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1904 T22:   0.1134                                     
REMARK   3      T33:   0.1797 T12:   0.0320                                     
REMARK   3      T13:   0.0418 T23:  -0.0671                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2340 L22:   0.2051                                     
REMARK   3      L33:   1.2464 L12:   0.2655                                     
REMARK   3      L13:  -0.2550 L23:   0.0215                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0353 S12:   0.0386 S13:  -0.5777                       
REMARK   3      S21:  -0.3949 S22:  -0.0327 S23:  -0.0166                       
REMARK   3      S31:   0.1100 S32:   0.4794 S33:  -0.1015                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 74:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -22.8357  41.1135  -1.4963              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9009 T22:   0.9552                                     
REMARK   3      T33:   0.8403 T12:   0.3372                                     
REMARK   3      T13:  -0.2185 T23:  -0.0896                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0247 L22:  -0.0156                                     
REMARK   3      L33:   0.0021 L12:  -0.0187                                     
REMARK   3      L13:  -0.0386 L23:   0.0053                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0932 S12:  -0.1392 S13:   0.1040                       
REMARK   3      S21:  -0.0374 S22:   0.0049 S23:   0.0541                       
REMARK   3      S31:  -0.0925 S32:  -0.1439 S33:   0.0003                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 84:113)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.0967  55.0391   9.9486              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1512 T22:   0.2175                                     
REMARK   3      T33:   0.2093 T12:   0.0160                                     
REMARK   3      T13:  -0.0087 T23:  -0.0599                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2735 L22:   0.4442                                     
REMARK   3      L33:   0.7429 L12:  -0.3218                                     
REMARK   3      L13:  -0.1440 L23:  -0.1338                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0737 S12:  -0.2997 S13:   0.0859                       
REMARK   3      S21:   0.1809 S22:  -0.1146 S23:  -0.3558                       
REMARK   3      S31:   0.1560 S32:   0.1724 S33:  -0.0025                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 114:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.0224  48.4204   3.8137              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2026 T22:   0.1066                                     
REMARK   3      T33:   0.2582 T12:  -0.0191                                     
REMARK   3      T13:  -0.0387 T23:   0.0080                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8288 L22:  -0.0765                                     
REMARK   3      L33:   1.2832 L12:  -0.1874                                     
REMARK   3      L13:   0.5375 L23:   0.2205                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0308 S12:   0.1996 S13:  -0.1609                       
REMARK   3      S21:   0.2893 S22:   0.3274 S23:  -0.3838                       
REMARK   3      S31:   0.2293 S32:  -0.0314 S33:  -0.0005                       
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 2:16)                               
REMARK   3    ORIGIN FOR THE GROUP (A): -12.4098   7.6106  25.4493              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3325 T22:   0.2936                                     
REMARK   3      T33:   0.1685 T12:  -0.0959                                     
REMARK   3      T13:  -0.0353 T23:   0.0216                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2065 L22:   0.5733                                     
REMARK   3      L33:   0.1405 L12:  -0.6457                                     
REMARK   3      L13:  -0.1734 L23:   0.1693                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1465 S12:  -0.1247 S13:  -0.3250                       
REMARK   3      S21:  -0.1439 S22:   0.1519 S23:   0.8700                       
REMARK   3      S31:  -0.1945 S32:  -0.1673 S33:  -0.0287                       
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 17:23)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9541  18.3708  23.2646              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3038 T22:   0.4247                                     
REMARK   3      T33:   0.1172 T12:   0.1749                                     
REMARK   3      T13:   0.1247 T23:  -0.0399                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2070 L22:   0.4324                                     
REMARK   3      L33:   0.0238 L12:   0.3634                                     
REMARK   3      L13:   0.0652 L23:   0.0907                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1488 S12:   0.1734 S13:   0.5180                       
REMARK   3      S21:   0.2797 S22:   0.3674 S23:   0.4646                       
REMARK   3      S31:   0.0111 S32:  -0.1091 S33:  -0.0020                       
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 24:29)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -11.6594  10.3401  17.4639              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3945 T22:   0.3161                                     
REMARK   3      T33:   0.1221 T12:   0.0863                                     
REMARK   3      T13:  -0.0247 T23:  -0.0904                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0232 L22:  -0.0191                                     
REMARK   3      L33:   0.0217 L12:  -0.0079                                     
REMARK   3      L13:  -0.0096 L23:   0.0054                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1056 S12:   0.1182 S13:   0.2165                       
REMARK   3      S21:  -0.0126 S22:   0.3044 S23:   0.3435                       
REMARK   3      S31:  -0.1371 S32:  -0.0470 S33:  -0.0020                       
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 31:36)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.3421  18.8959  23.1964              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0542 T22:   0.2627                                     
REMARK   3      T33:   0.0157 T12:   0.0570                                     
REMARK   3      T13:   0.0495 T23:   0.0169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9781 L22:   4.4441                                     
REMARK   3      L33:   2.7696 L12:   0.3917                                     
REMARK   3      L13:  -0.1604 L23:   2.5753                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3204 S12:   0.4443 S13:  -0.2576                       
REMARK   3      S21:  -0.5595 S22:  -0.2746 S23:   0.5956                       
REMARK   3      S31:  -0.1727 S32:   0.1149 S33:  -0.2891                       
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 37:42)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.6782  22.2024  33.5080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5548 T22:   0.6068                                     
REMARK   3      T33:   0.2303 T12:  -0.1067                                     
REMARK   3      T13:   0.1161 T23:  -0.0064                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0442 L22:   0.0761                                     
REMARK   3      L33:   0.0152 L12:  -0.0508                                     
REMARK   3      L13:  -0.0260 L23:   0.0143                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0344 S12:   0.0424 S13:   0.1704                       
REMARK   3      S21:   0.0306 S22:   0.1200 S23:  -0.1154                       
REMARK   3      S31:  -0.2117 S32:  -0.2777 S33:   0.0009                       
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 43:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.5121   4.0810  25.6678              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1354 T22:   0.2131                                     
REMARK   3      T33:   0.1272 T12:  -0.0239                                     
REMARK   3      T13:   0.0061 T23:   0.0230                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5203 L22:   2.0417                                     
REMARK   3      L33:   0.5691 L12:  -1.0804                                     
REMARK   3      L13:  -0.0505 L23:  -0.4644                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3000 S12:  -0.0618 S13:  -0.3654                       
REMARK   3      S21:  -0.1965 S22:   0.4111 S23:   0.4906                       
REMARK   3      S31:   0.1962 S32:  -0.3888 S33:   0.0894                       
REMARK   3   TLS GROUP : 61                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 77:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.1664   0.6328  40.2967              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9079 T22:   1.2602                                     
REMARK   3      T33:   1.6022 T12:   0.0144                                     
REMARK   3      T13:   0.2334 T23:  -0.4945                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0117 L22:   0.0281                                     
REMARK   3      L33:  -0.0063 L12:   0.0168                                     
REMARK   3      L13:   0.0247 L23:   0.0217                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1620 S12:   0.0191 S13:   0.0307                       
REMARK   3      S21:  -0.0902 S22:  -0.0290 S23:   0.0992                       
REMARK   3      S31:   0.1092 S32:   0.0713 S33:   0.0002                       
REMARK   3   TLS GROUP : 62                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 84:113)                             
REMARK   3    ORIGIN FOR THE GROUP (A):   5.8918  12.2085  22.9016              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0951 T22:   0.2431                                     
REMARK   3      T33:   0.1544 T12:   0.0152                                     
REMARK   3      T13:  -0.0586 T23:  -0.0110                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4831 L22:   5.2392                                     
REMARK   3      L33:   0.5489 L12:   0.4145                                     
REMARK   3      L13:   0.0885 L23:  -0.3532                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3259 S12:  -0.1018 S13:  -0.2472                       
REMARK   3      S21:  -0.5283 S22:   0.2869 S23:  -0.7892                       
REMARK   3      S31:   0.2183 S32:   0.0372 S33:   0.0230                       
REMARK   3   TLS GROUP : 63                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 114:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.7885   5.9419  25.3666              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0590 T22:   0.1643                                     
REMARK   3      T33:   0.1057 T12:  -0.1557                                     
REMARK   3      T13:  -0.2078 T23:   0.0053                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6176 L22:   1.4312                                     
REMARK   3      L33:   0.7089 L12:   0.3094                                     
REMARK   3      L13:  -0.2237 L23:  -0.5662                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2266 S12:  -0.1833 S13:  -0.0874                       
REMARK   3      S21:  -0.2077 S22:  -0.3710 S23:  -0.1902                       
REMARK   3      S31:   0.6175 S32:   0.2316 S33:  -0.2954                       
REMARK   3   TLS GROUP : 64                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 2:18)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  20.8148  63.5964  59.1357              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1751 T22:   0.5230                                     
REMARK   3      T33:   0.1777 T12:  -0.0862                                     
REMARK   3      T13:  -0.0015 T23:  -0.0761                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4120 L22:   2.0081                                     
REMARK   3      L33:   0.1409 L12:  -0.6919                                     
REMARK   3      L13:  -0.2237 L23:  -0.1817                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3036 S12:  -0.6200 S13:   0.0672                       
REMARK   3      S21:   0.2194 S22:   0.3353 S23:  -0.8774                       
REMARK   3      S31:  -0.3587 S32:   0.9065 S33:   0.0353                       
REMARK   3   TLS GROUP : 65                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 19:31)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  28.1707  60.2596  59.7518              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0973 T22:   1.1665                                     
REMARK   3      T33:   0.4484 T12:  -0.1384                                     
REMARK   3      T13:   0.1109 T23:  -0.1668                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3924 L22:   0.7537                                     
REMARK   3      L33:   0.6987 L12:   0.3650                                     
REMARK   3      L13:   0.4221 L23:   0.3928                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0406 S12:  -0.1356 S13:  -0.2040                       
REMARK   3      S21:  -0.3517 S22:   0.5507 S23:  -1.5090                       
REMARK   3      S31:   0.3345 S32:   0.7952 S33:   0.0402                       
REMARK   3   TLS GROUP : 66                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 32:41)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  20.3133  50.1530  53.0841              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3645 T22:   0.9215                                     
REMARK   3      T33:   0.2666 T12:  -0.1351                                     
REMARK   3      T13:   0.0853 T23:   0.0019                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0742 L22:   0.2452                                     
REMARK   3      L33:   0.0820 L12:  -0.0846                                     
REMARK   3      L13:   0.0275 L23:  -0.3193                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2108 S12:   0.4779 S13:  -0.6502                       
REMARK   3      S21:  -0.8432 S22:   0.2545 S23:   0.0672                       
REMARK   3      S31:   0.7301 S32:   0.1307 S33:  -0.0059                       
REMARK   3   TLS GROUP : 67                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 42:53)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2203  68.7557  55.2467              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4554 T22:   0.6357                                     
REMARK   3      T33:   0.5673 T12:  -0.0017                                     
REMARK   3      T13:   0.1224 T23:  -0.1429                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0269 L22:   0.0472                                     
REMARK   3      L33:   0.0286 L12:  -0.0581                                     
REMARK   3      L13:  -0.0117 L23:  -0.0519                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2925 S12:  -0.2045 S13:   0.8790                       
REMARK   3      S21:   0.0220 S22:  -0.0581 S23:  -0.0991                       
REMARK   3      S31:  -0.4234 S32:  -0.4873 S33:  -0.0031                       
REMARK   3   TLS GROUP : 68                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 54:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  22.2130  65.7178  47.2031              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3013 T22:   0.3158                                     
REMARK   3      T33:   0.1482 T12:   0.0271                                     
REMARK   3      T13:   0.0158 T23:   0.0452                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2008 L22:   0.6083                                     
REMARK   3      L33:   0.3738 L12:  -0.0882                                     
REMARK   3      L13:   0.0613 L23:   0.2593                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1638 S12:  -0.2228 S13:   0.3057                       
REMARK   3      S21:  -0.4083 S22:  -0.0014 S23:  -0.4983                       
REMARK   3      S31:  -0.1763 S32:   0.0003 S33:   0.0075                       
REMARK   3   TLS GROUP : 69                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 77:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   5.8364  68.5053  49.6074              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8567 T22:   0.5675                                     
REMARK   3      T33:   1.0980 T12:  -0.1632                                     
REMARK   3      T13:   0.0924 T23:  -0.1532                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0019 L22:   0.0529                                     
REMARK   3      L33:  -0.0486 L12:  -0.0139                                     
REMARK   3      L13:  -0.0097 L23:   0.0241                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0288 S12:  -0.0969 S13:   0.0493                       
REMARK   3      S21:   0.3251 S22:   0.0337 S23:  -0.0903                       
REMARK   3      S31:  -0.3188 S32:  -0.1069 S33:  -0.0009                       
REMARK   3   TLS GROUP : 70                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 84:109)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  25.7455  56.4368  41.7904              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1405 T22:   0.1624                                     
REMARK   3      T33:   0.2495 T12:  -0.0540                                     
REMARK   3      T13:  -0.0246 T23:   0.0675                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6374 L22:   1.3523                                     
REMARK   3      L33:   0.9934 L12:   0.0823                                     
REMARK   3      L13:   0.1925 L23:  -0.7989                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1131 S12:  -0.4581 S13:   0.2646                       
REMARK   3      S21:  -0.0966 S22:  -0.4002 S23:  -0.4810                       
REMARK   3      S31:   0.3783 S32:  -0.2170 S33:   0.0222                       
REMARK   3   TLS GROUP : 71                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 110:122)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  24.1864  73.2653  40.1632              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2936 T22:   0.3501                                     
REMARK   3      T33:   0.4807 T12:   0.0794                                     
REMARK   3      T13:   0.1928 T23:   0.0402                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9260 L22:  -0.3746                                     
REMARK   3      L33:   0.9271 L12:   0.1487                                     
REMARK   3      L13:   0.6955 L23:   0.1568                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1779 S12:   0.7054 S13:   0.6086                       
REMARK   3      S21:  -0.1983 S22:   0.0292 S23:  -0.3778                       
REMARK   3      S31:  -0.8748 S32:  -0.1686 S33:  -0.0476                       
REMARK   3   TLS GROUP : 72                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 123:153)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  22.0149  62.3395  48.9798              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2300 T22:   0.3488                                     
REMARK   3      T33:   0.2008 T12:   0.0193                                     
REMARK   3      T13:  -0.1079 T23:  -0.0647                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0389 L22:   0.0674                                     
REMARK   3      L33:   1.0433 L12:   0.1042                                     
REMARK   3      L13:  -0.3089 L23:  -0.0272                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0271 S12:  -0.0046 S13:   0.0084                       
REMARK   3      S21:   0.4914 S22:  -0.1033 S23:  -0.1531                       
REMARK   3      S31:   0.0075 S32:  -0.1045 S33:   0.0002                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN B AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1172                                        
REMARK   3     RMSD               : 0.045                                       
REMARK   3    NCS OPERATOR : 2                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN C AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1160                                        
REMARK   3     RMSD               : 0.038                                       
REMARK   3    NCS OPERATOR : 3                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN D AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1159                                        
REMARK   3     RMSD               : 0.042                                       
REMARK   3    NCS OPERATOR : 4                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN E AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1160                                        
REMARK   3     RMSD               : 0.041                                       
REMARK   3    NCS OPERATOR : 5                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN F AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1172                                        
REMARK   3     RMSD               : 0.044                                       
REMARK   3    NCS OPERATOR : 6                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN G AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1165                                        
REMARK   3     RMSD               : 0.043                                       
REMARK   3    NCS OPERATOR : 7                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 2:153 )                 
REMARK   3     SELECTION          : CHAIN H AND (RESSEQ 2:153 )                 
REMARK   3     ATOM PAIRS NUMBER  : 1162                                        
REMARK   3     RMSD               : 0.041                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3K77 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-OCT-09.                  
REMARK 100 THE DEPOSITION ID IS D_1000055632.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-OCT-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : MIRRORS                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU SATURN 92                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32158                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 3.800                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.3                               
REMARK 200  DATA REDUNDANCY                : 2.800                              
REMARK 200  R MERGE                    (I) : 0.11000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.69                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35100                            
REMARK 200  R SYM FOR SHELL            (I) : 0.35100                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.800                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 3K75                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 34.06                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25-30% PEG 3350, 0.2-0.3M MGCL2, PH      
REMARK 280  7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       44.65100            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8                                  
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 5                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350                                                                      
REMARK 350 BIOMOLECULE: 6                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: F                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 7                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: G                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 8                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: H                                     
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     ASP A   154                                                      
REMARK 465     LYS A   155                                                      
REMARK 465     HIS A   156                                                      
REMARK 465     HIS A   157                                                      
REMARK 465     HIS A   158                                                      
REMARK 465     HIS A   159                                                      
REMARK 465     HIS A   160                                                      
REMARK 465     HIS A   161                                                      
REMARK 465     MET B     1                                                      
REMARK 465     ASP B   154                                                      
REMARK 465     LYS B   155                                                      
REMARK 465     HIS B   156                                                      
REMARK 465     HIS B   157                                                      
REMARK 465     HIS B   158                                                      
REMARK 465     HIS B   159                                                      
REMARK 465     HIS B   160                                                      
REMARK 465     HIS B   161                                                      
REMARK 465     MET C     1                                                      
REMARK 465     ASP C   154                                                      
REMARK 465     LYS C   155                                                      
REMARK 465     HIS C   156                                                      
REMARK 465     HIS C   157                                                      
REMARK 465     HIS C   158                                                      
REMARK 465     HIS C   159                                                      
REMARK 465     HIS C   160                                                      
REMARK 465     HIS C   161                                                      
REMARK 465     MET D     1                                                      
REMARK 465     ASP D   154                                                      
REMARK 465     LYS D   155                                                      
REMARK 465     HIS D   156                                                      
REMARK 465     HIS D   157                                                      
REMARK 465     HIS D   158                                                      
REMARK 465     HIS D   159                                                      
REMARK 465     HIS D   160                                                      
REMARK 465     HIS D   161                                                      
REMARK 465     MET E     1                                                      
REMARK 465     ASP E   154                                                      
REMARK 465     LYS E   155                                                      
REMARK 465     HIS E   156                                                      
REMARK 465     HIS E   157                                                      
REMARK 465     HIS E   158                                                      
REMARK 465     HIS E   159                                                      
REMARK 465     HIS E   160                                                      
REMARK 465     HIS E   161                                                      
REMARK 465     MET F     1                                                      
REMARK 465     ASP F   154                                                      
REMARK 465     LYS F   155                                                      
REMARK 465     HIS F   156                                                      
REMARK 465     HIS F   157                                                      
REMARK 465     HIS F   158                                                      
REMARK 465     HIS F   159                                                      
REMARK 465     HIS F   160                                                      
REMARK 465     HIS F   161                                                      
REMARK 465     MET G     1                                                      
REMARK 465     ASP G   154                                                      
REMARK 465     LYS G   155                                                      
REMARK 465     HIS G   156                                                      
REMARK 465     HIS G   157                                                      
REMARK 465     HIS G   158                                                      
REMARK 465     HIS G   159                                                      
REMARK 465     HIS G   160                                                      
REMARK 465     HIS G   161                                                      
REMARK 465     MET H     1                                                      
REMARK 465     ASP H   154                                                      
REMARK 465     LYS H   155                                                      
REMARK 465     HIS H   156                                                      
REMARK 465     HIS H   157                                                      
REMARK 465     HIS H   158                                                      
REMARK 465     HIS H   159                                                      
REMARK 465     HIS H   160                                                      
REMARK 465     HIS H   161                                                      
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  22    CG   CD   OE1  OE2                                  
REMARK 470     GLU B  22    CG   CD   OE1  OE2                                  
REMARK 470     GLU E  22    CG   CD   OE1  OE2                                  
REMARK 470     ARG E  31    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG E 148    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU F  22    CG   CD   OE1  OE2                                  
REMARK 470     GLU G  22    CG   CD   OE1  OE2                                  
REMARK 470     LYS G  26    CG   CD   CE   NZ                                   
REMARK 470     ASP G  28    CG   OD1  OD2                                       
REMARK 470     GLU H  22    CG   CD   OE1  OE2                                  
REMARK 470     LYS H  26    CG   CD   CE   NZ                                   
REMARK 470     ARG H  31    CG   CD   NE   CZ   NH1  NH2                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OG1  THR B    29     O    HOH B   167              2.07            
REMARK 500   OG   SER C    57     O    HOH C   177              2.16            
REMARK 500   O    LYS F    51     O    HOH F   164              2.16            
REMARK 500   OE2  GLU D    85     O    HOH D   180              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   NZ   LYS B    26     OD2  ASP D    59     2646     2.06            
REMARK 500   NH1  ARG F    31     O    ASN G   106     2555     2.13            
REMARK 500   NH1  ARG B    31     O    ASN D   106     2646     2.16            
REMARK 500   NH1  ARG F    31     N    VAL G   108     2555     2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU C  22   CD    GLU C  22   OE2     0.076                       
REMARK 500    GLU D  22   CD    GLU D  22   OE2     0.089                       
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    SER A  14      134.61   -171.55                                   
REMARK 500    ASP A  63       57.64   -163.08                                   
REMARK 500    SER B  14      135.88   -172.17                                   
REMARK 500    ASP B  63       56.81   -164.58                                   
REMARK 500    SER C  14      135.97   -170.46                                   
REMARK 500    ASP C  63       58.72   -164.43                                   
REMARK 500    ASP D  63       58.27   -165.04                                   
REMARK 500    SER E  14      134.12   -170.73                                   
REMARK 500    ASP E  63       57.21   -163.53                                   
REMARK 500    SER F  14      135.53   -171.42                                   
REMARK 500    ASP F  63       56.26   -166.39                                   
REMARK 500    ASP G  63       58.40   -166.20                                   
REMARK 500    SER H  14      135.64   -170.69                                   
REMARK 500    ASP H  63       59.40   -166.01                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1XNA   RELATED DB: PDB                                   
REMARK 900 NMR SOLUTION STRUCTURE OF THE SINGLE-STRAND BREAK REPAIR PROTEIN     
REMARK 900 XRCC1-N-TERMINAL DOMAIN                                              
REMARK 900 RELATED ID: 3K75   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3K76   RELATED DB: PDB                                   
DBREF  3K77 A    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 B    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 C    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 D    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 E    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 F    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 G    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
DBREF  3K77 H    1   155  UNP    P18887   XRCC1_HUMAN      1    155             
SEQADV 3K77 HIS A  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS A  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS A  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS A  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS A  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS A  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS B  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS C  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS D  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS E  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS F  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS G  161  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  156  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  157  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  158  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  159  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  160  UNP  P18887              EXPRESSION TAG                 
SEQADV 3K77 HIS H  161  UNP  P18887              EXPRESSION TAG                 
SEQRES   1 A  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 A  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 A  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 A  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 A  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 A  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 A  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 A  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 A  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 A  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 A  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 A  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 A  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 B  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 B  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 B  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 B  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 B  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 B  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 B  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 B  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 B  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 B  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 B  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 B  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 B  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 C  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 C  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 C  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 C  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 C  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 C  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 C  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 C  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 C  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 C  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 C  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 C  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 C  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 D  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 D  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 D  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 D  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 D  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 D  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 D  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 D  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 D  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 D  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 D  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 D  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 D  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 E  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 E  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 E  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 E  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 E  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 E  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 E  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 E  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 E  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 E  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 E  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 E  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 E  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 F  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 F  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 F  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 F  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 F  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 F  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 F  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 F  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 F  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 F  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 F  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 F  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 F  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 G  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 G  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 G  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 G  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 G  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 G  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 G  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 G  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 G  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 G  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 G  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 G  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 G  161  HIS HIS HIS HIS HIS                                          
SEQRES   1 H  161  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 H  161  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 H  161  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 H  161  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 H  161  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 H  161  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 H  161  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 H  161  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 H  161  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 H  161  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 H  161  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 H  161  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS HIS          
SEQRES  13 H  161  HIS HIS HIS HIS HIS                                          
FORMUL   9  HOH   *122(H2 O)                                                    
HELIX    1   1 CYS A   20  LEU A   25  5                                   6    
HELIX    2   2 LYS A   26  TYR A   30  5                                   5    
HELIX    3   3 GLY A   80  TYR A   84  5                                   5    
HELIX    4   4 SER A   95  GLY A  102  1                                   8    
HELIX    5   5 VAL A  117  LYS A  123  1                                   7    
HELIX    6   6 CYS B   20  LEU B   25  5                                   6    
HELIX    7   7 LYS B   26  TYR B   30  5                                   5    
HELIX    8   8 GLY B   80  TYR B   84  5                                   5    
HELIX    9   9 SER B   95  GLY B  102  1                                   8    
HELIX   10  10 VAL B  117  LYS B  123  1                                   7    
HELIX   11  11 CYS C   20  LEU C   25  5                                   6    
HELIX   12  12 LYS C   26  TYR C   30  5                                   5    
HELIX   13  13 GLY C   80  TYR C   84  5                                   5    
HELIX   14  14 SER C   95  GLY C  102  1                                   8    
HELIX   15  15 VAL C  117  LYS C  123  1                                   7    
HELIX   16  16 CYS D   20  LEU D   25  5                                   6    
HELIX   17  17 LYS D   26  TYR D   30  5                                   5    
HELIX   18  18 GLY D   80  TYR D   84  5                                   5    
HELIX   19  19 SER D   95  GLY D  102  1                                   8    
HELIX   20  20 VAL D  117  LYS D  123  1                                   7    
HELIX   21  21 CYS E   20  LEU E   25  5                                   6    
HELIX   22  22 LYS E   26  TYR E   30  5                                   5    
HELIX   23  23 GLY E   80  TYR E   84  5                                   5    
HELIX   24  24 SER E   95  GLY E  102  1                                   8    
HELIX   25  25 VAL E  117  LYS E  123  1                                   7    
HELIX   26  26 CYS F   20  LEU F   25  5                                   6    
HELIX   27  27 LYS F   26  TYR F   30  5                                   5    
HELIX   28  28 GLY F   80  TYR F   84  5                                   5    
HELIX   29  29 SER F   95  GLY F  102  1                                   8    
HELIX   30  30 VAL F  117  LYS F  123  1                                   7    
HELIX   31  31 CYS G   20  LEU G   25  5                                   6    
HELIX   32  32 LYS G   26  TYR G   30  5                                   5    
HELIX   33  33 GLY G   80  TYR G   84  5                                   5    
HELIX   34  34 SER G   95  GLY G  102  1                                   8    
HELIX   35  35 VAL G  117  LYS G  123  1                                   7    
HELIX   36  36 CYS H   20  LEU H   25  5                                   6    
HELIX   37  37 LYS H   26  TYR H   30  5                                   5    
HELIX   38  38 GLY H   80  TYR H   84  5                                   5    
HELIX   39  39 SER H   95  GLY H  102  1                                   8    
HELIX   40  40 VAL H  117  LYS H  123  1                                   7    
SHEET    1   A 5 LEU A   6  CYS A  12  0                                        
SHEET    2   A 5 THR A  42  GLU A  53 -1  O  GLN A  48   N  HIS A   8           
SHEET    3   A 5 TRP A 125  SER A 133 -1  O  TRP A 125   N  GLU A  53           
SHEET    4   A 5 PHE A  67  GLY A  73 -1  N  LEU A  71   O  LYS A 129           
SHEET    5   A 5 GLU A  85  SER A  92 -1  O  GLU A  85   N  VAL A  72           
SHEET    1   B 4 TRP A  33  ARG A  34  0                                        
SHEET    2   B 4 GLY A 143  HIS A 150 -1  O  LEU A 144   N  TRP A  33           
SHEET    3   B 4 SER A  57  ASP A  63 -1  N  GLY A  61   O  SER A 145           
SHEET    4   B 4 VAL A 108  PHE A 111 -1  O  ARG A 109   N  ILE A  60           
SHEET    1   C 5 LEU B   6  CYS B  12  0                                        
SHEET    2   C 5 THR B  42  GLU B  53 -1  O  GLN B  48   N  HIS B   8           
SHEET    3   C 5 TRP B 125  SER B 133 -1  O  VAL B 128   N  LEU B  47           
SHEET    4   C 5 PHE B  67  GLY B  73 -1  N  LEU B  71   O  LYS B 129           
SHEET    5   C 5 GLU B  85  SER B  92 -1  O  GLU B  85   N  VAL B  72           
SHEET    1   D 4 TRP B  33  ARG B  34  0                                        
SHEET    2   D 4 GLY B 143  HIS B 150 -1  O  LEU B 144   N  TRP B  33           
SHEET    3   D 4 SER B  57  ASP B  63 -1  N  GLY B  61   O  SER B 145           
SHEET    4   D 4 VAL B 108  PHE B 111 -1  O  ARG B 109   N  ILE B  60           
SHEET    1   E 5 LEU C   6  CYS C  12  0                                        
SHEET    2   E 5 THR C  42  GLU C  53 -1  O  GLN C  48   N  HIS C   8           
SHEET    3   E 5 TRP C 125  SER C 133 -1  O  TRP C 125   N  GLU C  53           
SHEET    4   E 5 PHE C  67  GLY C  73 -1  N  LEU C  71   O  LYS C 129           
SHEET    5   E 5 GLU C  85  SER C  92 -1  O  GLU C  85   N  VAL C  72           
SHEET    1   F 4 TRP C  33  ARG C  34  0                                        
SHEET    2   F 4 GLY C 143  HIS C 150 -1  O  LEU C 144   N  TRP C  33           
SHEET    3   F 4 SER C  57  ASP C  63 -1  N  GLY C  61   O  SER C 145           
SHEET    4   F 4 VAL C 108  PHE C 111 -1  O  ARG C 109   N  ILE C  60           
SHEET    1   G 5 LEU D   6  CYS D  12  0                                        
SHEET    2   G 5 THR D  42  GLU D  53 -1  O  GLN D  48   N  HIS D   8           
SHEET    3   G 5 TRP D 125  SER D 133 -1  O  TRP D 125   N  GLU D  53           
SHEET    4   G 5 PHE D  67  GLY D  73 -1  N  LEU D  71   O  LYS D 129           
SHEET    5   G 5 GLU D  85  SER D  92 -1  O  GLU D  85   N  VAL D  72           
SHEET    1   H 4 TRP D  33  ARG D  34  0                                        
SHEET    2   H 4 GLY D 143  HIS D 150 -1  O  LEU D 144   N  TRP D  33           
SHEET    3   H 4 SER D  57  ASP D  63 -1  N  GLY D  61   O  SER D 145           
SHEET    4   H 4 VAL D 108  PHE D 111 -1  O  ARG D 109   N  ILE D  60           
SHEET    1   I 5 LEU E   6  CYS E  12  0                                        
SHEET    2   I 5 THR E  42  GLU E  53 -1  O  GLN E  48   N  HIS E   8           
SHEET    3   I 5 TRP E 125  SER E 133 -1  O  TRP E 125   N  GLU E  53           
SHEET    4   I 5 PHE E  67  GLY E  73 -1  N  LEU E  71   O  LYS E 129           
SHEET    5   I 5 GLU E  85  SER E  92 -1  O  GLU E  85   N  VAL E  72           
SHEET    1   J 4 TRP E  33  ARG E  34  0                                        
SHEET    2   J 4 GLY E 143  HIS E 150 -1  O  LEU E 144   N  TRP E  33           
SHEET    3   J 4 SER E  57  ASP E  63 -1  N  GLY E  61   O  SER E 145           
SHEET    4   J 4 VAL E 108  PHE E 111 -1  O  ARG E 109   N  ILE E  60           
SHEET    1   K 5 LEU F   6  CYS F  12  0                                        
SHEET    2   K 5 THR F  42  GLU F  53 -1  O  GLN F  48   N  HIS F   8           
SHEET    3   K 5 TRP F 125  SER F 133 -1  O  TRP F 125   N  GLU F  53           
SHEET    4   K 5 PHE F  67  GLY F  73 -1  N  LEU F  71   O  LYS F 129           
SHEET    5   K 5 GLU F  85  SER F  92 -1  O  GLU F  85   N  VAL F  72           
SHEET    1   L 4 TRP F  33  ARG F  34  0                                        
SHEET    2   L 4 GLY F 143  HIS F 150 -1  O  LEU F 144   N  TRP F  33           
SHEET    3   L 4 SER F  57  ASP F  63 -1  N  GLY F  61   O  SER F 145           
SHEET    4   L 4 VAL F 108  PHE F 111 -1  O  PHE F 111   N  VAL F  58           
SHEET    1   M 5 LEU G   6  CYS G  12  0                                        
SHEET    2   M 5 THR G  42  GLU G  53 -1  O  GLN G  48   N  HIS G   8           
SHEET    3   M 5 TRP G 125  SER G 133 -1  O  TRP G 125   N  GLU G  53           
SHEET    4   M 5 PHE G  67  GLY G  73 -1  N  LEU G  71   O  LYS G 129           
SHEET    5   M 5 GLU G  85  SER G  92 -1  O  GLU G  85   N  VAL G  72           
SHEET    1   N 4 TRP G  33  ARG G  34  0                                        
SHEET    2   N 4 GLY G 143  HIS G 150 -1  O  LEU G 144   N  TRP G  33           
SHEET    3   N 4 SER G  57  ASP G  63 -1  N  GLY G  61   O  SER G 145           
SHEET    4   N 4 VAL G 108  PHE G 111 -1  O  ARG G 109   N  ILE G  60           
SHEET    1   O 5 LEU H   6  CYS H  12  0                                        
SHEET    2   O 5 THR H  42  GLU H  53 -1  O  GLN H  48   N  HIS H   8           
SHEET    3   O 5 TRP H 125  SER H 133 -1  O  TRP H 125   N  GLU H  53           
SHEET    4   O 5 PHE H  67  GLY H  73 -1  N  LEU H  71   O  LYS H 129           
SHEET    5   O 5 GLU H  85  SER H  92 -1  O  GLU H  85   N  VAL H  72           
SHEET    1   P 4 TRP H  33  ARG H  34  0                                        
SHEET    2   P 4 GLY H 143  HIS H 150 -1  O  LEU H 144   N  TRP H  33           
SHEET    3   P 4 SER H  57  ASP H  63 -1  N  GLY H  61   O  SER H 145           
SHEET    4   P 4 VAL H 108  PHE H 111 -1  O  ARG H 109   N  ILE H  60           
CRYST1   64.451   89.302   93.178  90.00  90.03  90.00 P 1 21 1     16          
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      0.015516  0.000000  0.000009        0.00000                         
SCALE2      0.000000  0.011198  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010732        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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