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Database: PDB
Entry: 3Q15
LinkDB: 3Q15
Original site: 3Q15 
HEADER    HYDROLASE/KINASE                        16-DEC-10   3Q15              
TITLE     CRYSTAL STRUCTURE OF RAPH COMPLEXED WITH SPO0F                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RESPONSE REGULATOR ASPARTATE PHOSPHATASE H;                
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: PSP28;                                                      
COMPND   5 EC: 3.1.-.-;                                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: SPORULATION INITIATION PHOSPHOTRANSFERASE F;               
COMPND   9 CHAIN: C, D;                                                         
COMPND  10 SYNONYM: STAGE 0 SPORULATION PROTEIN F;                              
COMPND  11 EC: 2.7.-.-;                                                         
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 GENE: BSU06830, RAPH, YEEH, YZQA;                                    
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE  10 ORGANISM_TAXID: 1423;                                                
SOURCE  11 GENE: BSU37130, SPO0F;                                               
SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  13 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  14 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
KEYWDS    TETRATRICOPEPTIDE REPEAT, 3-HELIX BUNDLE, PHOSPHORELAY SIGNAL         
KEYWDS   2 TRANSDUCTION, PHOSPHATASE, RESPONSE REGULATOR RECEIVER, HYDROLASE-   
KEYWDS   3 KINASE COMPLEX                                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    V.PARASHAR,M.B.NEIDITCH                                               
REVDAT   2   20-APR-11 3Q15    1       JRNL                                     
REVDAT   1   23-FEB-11 3Q15    0                                                
JRNL        AUTH   V.PARASHAR,N.MIROUZE,D.A.DUBNAU,M.B.NEIDITCH                 
JRNL        TITL   STRUCTURAL BASIS OF RESPONSE REGULATOR DEPHOSPHORYLATION BY  
JRNL        TITL 2 RAP PHOSPHATASES.                                            
JRNL        REF    PLOS BIOL.                    V.   9 E1000 2011              
JRNL        REFN                   ISSN 1544-9173                               
JRNL        PMID   21346797                                                     
JRNL        DOI    10.1371/JOURNAL.PBIO.1000589                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.19 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.19                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 31.25                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 54906                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.223                           
REMARK   3   R VALUE            (WORKING SET) : 0.220                           
REMARK   3   FREE R VALUE                     : 0.268                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.210                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3408                            
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 31.2487 -  6.3064    0.79     1875   126  0.2203 0.2489        
REMARK   3     2  6.3064 -  5.0123    0.98     2298   153  0.2094 0.2664        
REMARK   3     3  5.0123 -  4.3807    0.93     2166   144  0.1732 0.2241        
REMARK   3     4  4.3807 -  3.9810    0.96     2233   148  0.1738 0.2035        
REMARK   3     5  3.9810 -  3.6961    0.98     2267   155  0.1916 0.2154        
REMARK   3     6  3.6961 -  3.4785    0.99     2317   156  0.2102 0.2630        
REMARK   3     7  3.4785 -  3.3045    0.99     2315   155  0.2214 0.3055        
REMARK   3     8  3.3045 -  3.1608    0.99     2290   156  0.2372 0.2806        
REMARK   3     9  3.1608 -  3.0392    0.98     2284   155  0.2417 0.2969        
REMARK   3    10  3.0392 -  2.9344    0.97     2260   156  0.2415 0.2947        
REMARK   3    11  2.9344 -  2.8427    0.97     2255   152  0.2316 0.2789        
REMARK   3    12  2.8427 -  2.7615    0.96     2219   149  0.2516 0.2696        
REMARK   3    13  2.7615 -  2.6889    0.94     2186   151  0.2446 0.3059        
REMARK   3    14  2.6889 -  2.6233    0.94     2180   133  0.2526 0.3211        
REMARK   3    15  2.6233 -  2.5637    0.92     2143   136  0.2516 0.3527        
REMARK   3    16  2.5637 -  2.5092    0.92     2135   132  0.2520 0.3193        
REMARK   3    17  2.5092 -  2.4590    0.91     2150   129  0.2760 0.3127        
REMARK   3    18  2.4590 -  2.4126    0.91     2095   149  0.2697 0.3370        
REMARK   3    19  2.4126 -  2.3695    0.89     2097   114  0.2663 0.3191        
REMARK   3    20  2.3695 -  2.3294    0.88     2007   161  0.2702 0.3682        
REMARK   3    21  2.3294 -  2.2918    0.85     1928   136  0.2748 0.3517        
REMARK   3    22  2.2918 -  2.2566    0.85     1996   149  0.2698 0.3044        
REMARK   3    23  2.2566 -  2.2234    0.85     1956   125  0.2869 0.3140        
REMARK   3    24  2.2234 -  2.1921    0.78     1846    88  0.3028 0.3353        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.20                                          
REMARK   3   SHRINKAGE RADIUS   : 0.95                                          
REMARK   3   K_SOL              : 0.36                                          
REMARK   3   B_SOL              : 49.99                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.350            
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) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 8.00830                                              
REMARK   3    B22 (A**2) : -6.47880                                             
REMARK   3    B33 (A**2) : -1.52960                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -16.79020                                            
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004           7704                                  
REMARK   3   ANGLE     :  0.548          10373                                  
REMARK   3   CHIRALITY :  0.042           1127                                  
REMARK   3   PLANARITY :  0.002           1314                                  
REMARK   3   DIHEDRAL  : 11.741           2876                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 76                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 4:64)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  45.1544 120.4959  15.7227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4331 T22:   0.5318                                     
REMARK   3      T33:   0.3680 T12:   0.0962                                     
REMARK   3      T13:   0.1425 T23:   0.0042                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1067 L22:   4.1580                                     
REMARK   3      L33:   3.1432 L12:  -1.0934                                     
REMARK   3      L13:  -0.5777 L23:  -1.6022                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0407 S12:   0.5702 S13:   0.1483                       
REMARK   3      S21:  -0.1591 S22:  -0.1552 S23:  -0.4052                       
REMARK   3      S31:  -0.0611 S32:   0.3454 S33:   0.0001                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 65:69)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  43.9856 101.8411  12.3271              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7111 T22:   0.6562                                     
REMARK   3      T33:   1.0564 T12:   0.1142                                     
REMARK   3      T13:   0.0432 T23:  -0.0602                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0414 L22:   0.0587                                     
REMARK   3      L33:   0.0099 L12:  -0.0249                                     
REMARK   3      L13:   0.0664 L23:  -0.0013                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7375 S12:  -0.1843 S13:  -0.8555                       
REMARK   3      S21:   0.8492 S22:   0.2343 S23:  -0.7380                       
REMARK   3      S31:   0.6420 S32:   0.4247 S33:  -0.0014                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 77:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  32.5474 102.7666  16.2315              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5591 T22:   0.5427                                     
REMARK   3      T33:   0.9421 T12:   0.0284                                     
REMARK   3      T13:   0.0134 T23:  -0.1205                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0016 L22:  -0.0090                                     
REMARK   3      L33:   0.0697 L12:  -0.0320                                     
REMARK   3      L13:  -0.0976 L23:   0.0947                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0556 S12:  -0.0839 S13:   0.4637                       
REMARK   3      S21:  -1.3162 S22:   0.7762 S23:   0.6439                       
REMARK   3      S31:   0.8962 S32:   0.1735 S33:  -0.0001                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 84:98)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  41.0272 108.0421  25.8081              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6519 T22:   0.4302                                     
REMARK   3      T33:   0.5766 T12:   0.0865                                     
REMARK   3      T13:   0.0768 T23:   0.0034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3616 L22:   0.1521                                     
REMARK   3      L33:   0.5349 L12:  -0.0618                                     
REMARK   3      L13:  -0.1826 L23:   0.2343                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1264 S12:  -0.1509 S13:  -0.6276                       
REMARK   3      S21:   0.6337 S22:  -0.0545 S23:   0.0642                       
REMARK   3      S31:   1.1186 S32:  -0.1292 S33:   0.0003                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 99:128)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  36.3956 128.5110  28.4892              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5808 T22:   0.3665                                     
REMARK   3      T33:   0.3304 T12:   0.0875                                     
REMARK   3      T13:   0.0641 T23:   0.0161                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4830 L22:   1.0173                                     
REMARK   3      L33:   1.4177 L12:  -1.1938                                     
REMARK   3      L13:   0.2723 L23:   1.0991                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3034 S12:   0.1123 S13:   0.0772                       
REMARK   3      S21:   0.1767 S22:   0.1294 S23:   0.0064                       
REMARK   3      S31:   0.2259 S32:  -0.0741 S33:   0.0001                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 129:136)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  45.2856 116.6507  38.2202              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1009 T22:   0.5565                                     
REMARK   3      T33:   0.8704 T12:   0.3437                                     
REMARK   3      T13:  -0.0153 T23:  -0.0621                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1131 L22:   0.0506                                     
REMARK   3      L33:   0.0557 L12:  -0.0693                                     
REMARK   3      L13:  -0.0971 L23:   0.0379                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1287 S12:  -0.2915 S13:  -2.3553                       
REMARK   3      S21:   0.2005 S22:  -0.2879 S23:   0.2483                       
REMARK   3      S31:   0.4373 S32:   0.3456 S33:  -0.0006                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 137:161)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  41.3390 133.3338  38.1553              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4831 T22:   0.4165                                     
REMARK   3      T33:   0.3404 T12:   0.0238                                     
REMARK   3      T13:   0.0789 T23:   0.0320                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7568 L22:   0.5177                                     
REMARK   3      L33:   1.7002 L12:  -0.0177                                     
REMARK   3      L13:   0.8111 L23:   0.6955                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0654 S12:   0.4138 S13:   0.1375                       
REMARK   3      S21:   0.1357 S22:  -0.1250 S23:  -0.0450                       
REMARK   3      S31:   0.4180 S32:   0.4039 S33:  -0.0000                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 162:171)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  48.8982 127.9764  45.7177              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0954 T22:   0.5586                                     
REMARK   3      T33:   0.3772 T12:   0.3860                                     
REMARK   3      T13:  -0.0702 T23:  -0.0185                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0299 L22:   0.0978                                     
REMARK   3      L33:   0.0681 L12:  -0.0670                                     
REMARK   3      L13:  -0.1562 L23:  -0.0990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4579 S12:  -0.3610 S13:  -0.5452                       
REMARK   3      S21:   1.6735 S22:   0.0963 S23:  -0.4931                       
REMARK   3      S31:   2.0312 S32:   0.9091 S33:   0.0003                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 172:196)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  49.6138 138.0462  43.6753              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5547 T22:   0.4129                                     
REMARK   3      T33:   0.4503 T12:   0.0965                                     
REMARK   3      T13:  -0.0468 T23:   0.0320                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9893 L22:   0.3268                                     
REMARK   3      L33:   1.9883 L12:   0.8098                                     
REMARK   3      L13:  -0.2911 L23:  -0.4469                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4560 S12:  -0.0144 S13:   0.2421                       
REMARK   3      S21:  -0.1285 S22:  -0.2678 S23:  -0.4536                       
REMARK   3      S31:   0.2864 S32:   0.5998 S33:   0.0001                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 197:207)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  52.3143 143.2637  50.0861              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4353 T22:   0.4933                                     
REMARK   3      T33:   0.4660 T12:   0.0440                                     
REMARK   3      T13:  -0.0531 T23:   0.0500                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1469 L22:   0.5021                                     
REMARK   3      L33:   0.7086 L12:   0.2061                                     
REMARK   3      L13:   0.3441 L23:  -0.2656                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1138 S12:   0.3714 S13:   0.0578                       
REMARK   3      S21:   0.8112 S22:  -0.4230 S23:  -0.3688                       
REMARK   3      S31:  -0.1760 S32:   0.0674 S33:  -0.0000                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 208:213)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  63.9510 137.1931  46.7158              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7214 T22:   1.0642                                     
REMARK   3      T33:   0.8149 T12:   0.3266                                     
REMARK   3      T13:  -0.2578 T23:   0.0616                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0669 L22:   0.1681                                     
REMARK   3      L33:   0.0530 L12:   0.1142                                     
REMARK   3      L13:   0.0845 L23:  -0.1108                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0940 S12:  -1.7695 S13:  -0.4821                       
REMARK   3      S21:   0.8737 S22:  -0.8635 S23:  -0.7223                       
REMARK   3      S31:  -0.0913 S32:   1.2943 S33:   0.0007                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 214:231)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  58.8218 146.1287  42.0614              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4661 T22:   0.6551                                     
REMARK   3      T33:   0.4405 T12:   0.0880                                     
REMARK   3      T13:   0.0675 T23:   0.1042                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9772 L22:   1.3419                                     
REMARK   3      L33:   1.0693 L12:   0.9695                                     
REMARK   3      L13:   1.1205 L23:   0.2290                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2658 S12:   0.0316 S13:   0.1048                       
REMARK   3      S21:  -0.5476 S22:  -0.3123 S23:   0.0709                       
REMARK   3      S31:   0.0682 S32:   0.9846 S33:  -0.0000                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 232:238)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  52.9954 156.9286  49.7077              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6940 T22:   0.6237                                     
REMARK   3      T33:   0.9253 T12:  -0.1382                                     
REMARK   3      T13:  -0.1706 T23:   0.0003                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1763 L22:  -0.0390                                     
REMARK   3      L33:   0.1502 L12:   0.0785                                     
REMARK   3      L13:  -0.2003 L23:  -0.0051                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7701 S12:  -0.6135 S13:   0.8047                       
REMARK   3      S21:   0.5641 S22:  -0.0126 S23:   0.0281                       
REMARK   3      S31:   0.1821 S32:   0.8412 S33:  -0.0008                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 239:258)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  64.3496 151.7932  39.3092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4948 T22:   0.8748                                     
REMARK   3      T33:   0.6099 T12:   0.0004                                     
REMARK   3      T13:  -0.0036 T23:   0.1631                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6127 L22:   0.5790                                     
REMARK   3      L33:   0.2073 L12:  -0.4177                                     
REMARK   3      L13:   0.0451 L23:  -0.1667                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1113 S12:   0.1140 S13:   0.2104                       
REMARK   3      S21:   0.4232 S22:  -0.1350 S23:  -0.6961                       
REMARK   3      S31:   0.6288 S32:   0.8618 S33:  -0.0001                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 259:290)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  58.2786 161.9483  35.3738              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4348 T22:   0.5673                                     
REMARK   3      T33:   0.5707 T12:  -0.0679                                     
REMARK   3      T13:  -0.0176 T23:   0.0947                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7354 L22:   1.9086                                     
REMARK   3      L33:   1.5308 L12:  -0.2676                                     
REMARK   3      L13:   0.4752 L23:  -1.3157                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0572 S12:   0.0885 S13:   0.2555                       
REMARK   3      S21:   0.2953 S22:  -0.0561 S23:  -0.2638                       
REMARK   3      S31:  -0.2534 S32:   0.6469 S33:   0.0000                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 291:295)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  55.4877 149.6333  21.1349              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1447 T22:   0.7107                                     
REMARK   3      T33:   1.2745 T12:  -0.0633                                     
REMARK   3      T13:  -0.0074 T23:  -0.2838                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0677 L22:   0.0723                                     
REMARK   3      L33:   0.0751 L12:   0.0970                                     
REMARK   3      L13:   0.0578 L23:   0.0213                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.8769 S12:   0.4371 S13:  -1.8140                       
REMARK   3      S21:  -0.9438 S22:   1.5300 S23:   0.1162                       
REMARK   3      S31:   0.5002 S32:  -0.2129 S33:   0.0013                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 296:324)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  48.0418 165.8662  27.8298              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5346 T22:   0.5283                                     
REMARK   3      T33:   0.7212 T12:  -0.1473                                     
REMARK   3      T13:  -0.1249 T23:   0.2301                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7527 L22:   0.2982                                     
REMARK   3      L33:   1.5728 L12:  -0.1597                                     
REMARK   3      L13:  -1.3782 L23:   0.3812                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0534 S12:   0.4779 S13:   0.4919                       
REMARK   3      S21:  -0.3291 S22:  -0.0932 S23:  -0.2932                       
REMARK   3      S31:  -0.6311 S32:   0.3178 S33:   0.0000                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 325:329)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  39.6334 155.5832  22.0494              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5921 T22:   0.6287                                     
REMARK   3      T33:   0.7294 T12:  -0.0062                                     
REMARK   3      T13:  -0.0455 T23:  -0.0065                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0059 L22:   0.0019                                     
REMARK   3      L33:   0.0329 L12:  -0.0825                                     
REMARK   3      L13:  -0.0028 L23:   0.0078                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7233 S12:   1.1541 S13:   0.7471                       
REMARK   3      S21:  -0.6003 S22:  -0.4331 S23:   1.1892                       
REMARK   3      S31:  -0.4413 S32:  -0.8881 S33:   0.0001                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 330:364)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  37.8900 166.0462  35.6725              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4160 T22:   0.3314                                     
REMARK   3      T33:   0.7711 T12:  -0.0246                                     
REMARK   3      T13:  -0.0594 T23:   0.0572                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5730 L22:   0.4190                                     
REMARK   3      L33:   2.2441 L12:   0.2465                                     
REMARK   3      L13:  -1.3568 L23:   0.0503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2456 S12:  -0.0150 S13:   0.6119                       
REMARK   3      S21:  -0.2042 S22:   0.1058 S23:  -0.3023                       
REMARK   3      S31:  -0.4124 S32:   0.1607 S33:   0.0000                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 365:376)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  28.6940 145.6631  28.8503              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5476 T22:   0.3066                                     
REMARK   3      T33:   0.4346 T12:   0.0197                                     
REMARK   3      T13:  -0.0153 T23:   0.0128                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1023 L22:   0.1987                                     
REMARK   3      L33:   0.1895 L12:   0.2718                                     
REMARK   3      L13:  -0.0067 L23:   0.2096                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2196 S12:   0.1831 S13:   0.4355                       
REMARK   3      S21:  -0.4107 S22:   0.2542 S23:   0.1526                       
REMARK   3      S31:   0.0841 S32:  -0.1052 S33:  -0.0002                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 4:11)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  23.8378  92.7668  -6.3057              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5829 T22:   1.3175                                     
REMARK   3      T33:   0.8376 T12:   0.1126                                     
REMARK   3      T13:   0.2061 T23:   0.2458                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0275 L22:   0.0338                                     
REMARK   3      L33:  -0.0755 L12:   0.0048                                     
REMARK   3      L13:  -0.0524 L23:   0.0031                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.2116 S12:   1.0690 S13:   1.5738                       
REMARK   3      S21:  -1.9225 S22:  -1.0085 S23:   0.2008                       
REMARK   3      S31:  -0.0765 S32:  -0.1246 S33:  -0.0007                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 12:20)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  20.2534  80.4816 -10.3847              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1610 T22:   0.8293                                     
REMARK   3      T33:   0.8468 T12:   0.5060                                     
REMARK   3      T13:  -0.2606 T23:   0.0417                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0733 L22:   0.0140                                     
REMARK   3      L33:   0.0779 L12:   0.1510                                     
REMARK   3      L13:  -0.0426 L23:   0.0030                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5184 S12:   0.4754 S13:  -0.4138                       
REMARK   3      S21:  -1.0883 S22:  -0.4224 S23:   0.3560                       
REMARK   3      S31:   0.2925 S32:   1.3305 S33:  -0.0005                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 21:26)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  20.1176  71.2201 -13.4235              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4212 T22:   1.0058                                     
REMARK   3      T33:   0.9483 T12:   0.3339                                     
REMARK   3      T13:  -0.1005 T23:  -0.2679                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0066 L22:   0.0769                                     
REMARK   3      L33:   0.0105 L12:   0.1145                                     
REMARK   3      L13:   0.0316 L23:   0.0938                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1126 S12:   1.7470 S13:   0.3870                       
REMARK   3      S21:   0.1427 S22:  -0.2443 S23:   0.8380                       
REMARK   3      S31:   0.7770 S32:  -0.8438 S33:  -0.0004                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 46:50)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  23.5935  87.5961   3.3691              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7966 T22:   1.2453                                     
REMARK   3      T33:   0.7106 T12:   0.2141                                     
REMARK   3      T13:   0.0647 T23:  -0.0118                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0782 L22:   0.1180                                     
REMARK   3      L33:   0.0157 L12:   0.0576                                     
REMARK   3      L13:   0.0214 L23:  -0.0386                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.4986 S12:  -0.1467 S13:   1.1308                       
REMARK   3      S21:   0.6353 S22:  -2.3401 S23:   0.5805                       
REMARK   3      S31:  -0.1393 S32:   0.7819 S33:   0.0007                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 51:60)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  24.0975  76.4646  -2.0792              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4436 T22:   1.2511                                     
REMARK   3      T33:   0.6836 T12:   0.8807                                     
REMARK   3      T13:  -0.3275 T23:  -0.3303                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2018 L22:   0.1000                                     
REMARK   3      L33:   0.2210 L12:   0.0610                                     
REMARK   3      L13:  -0.0656 L23:  -0.0211                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.1719 S12:   0.1528 S13:  -2.1780                       
REMARK   3      S21:  -1.3930 S22:  -0.5471 S23:  -0.1601                       
REMARK   3      S31:   1.5027 S32:  -0.5878 S33:   0.0006                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 61:102)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  17.3896  71.9211  -1.9772              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2081 T22:   0.7239                                     
REMARK   3      T33:   1.0756 T12:   0.4020                                     
REMARK   3      T13:  -0.4148 T23:  -0.3207                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3767 L22:   0.2638                                     
REMARK   3      L33:   0.4460 L12:   0.2707                                     
REMARK   3      L13:   0.3527 L23:   0.5360                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.9822 S12:   0.6814 S13:  -1.3180                       
REMARK   3      S21:  -0.5901 S22:  -0.8476 S23:   0.3190                       
REMARK   3      S31:   0.6769 S32:   0.2437 S33:  -0.0001                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 103:122)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  11.4091  93.9155  -6.6130              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6016 T22:   0.7803                                     
REMARK   3      T33:   0.4151 T12:   0.2763                                     
REMARK   3      T13:   0.0287 T23:  -0.1117                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3990 L22:   0.2241                                     
REMARK   3      L33:   0.6541 L12:  -0.0593                                     
REMARK   3      L13:   0.5578 L23:  -0.9585                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0106 S12:   1.1982 S13:  -0.6595                       
REMARK   3      S21:  -1.2819 S22:  -0.5123 S23:  -0.1513                       
REMARK   3      S31:   1.0263 S32:   1.5787 S33:  -0.0004                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 123:141)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   8.6129  82.5881   5.4269              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0817 T22:   0.4856                                     
REMARK   3      T33:   0.9026 T12:   0.0185                                     
REMARK   3      T13:  -0.5171 T23:  -0.0018                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1154 L22:   0.5772                                     
REMARK   3      L33:   0.5429 L12:  -0.1162                                     
REMARK   3      L13:  -0.8940 L23:   0.0615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.8813 S12:   0.2129 S13:  -1.0165                       
REMARK   3      S21:  -1.4116 S22:   0.1001 S23:   1.2250                       
REMARK   3      S31:   1.8488 S32:   0.6322 S33:   0.0011                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 142:163)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   5.9380  97.4872   5.2534              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4571 T22:   0.3658                                     
REMARK   3      T33:   0.3906 T12:   0.0094                                     
REMARK   3      T13:   0.0271 T23:  -0.0210                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3416 L22:   0.3435                                     
REMARK   3      L33:   1.1590 L12:  -0.0834                                     
REMARK   3      L13:   1.1726 L23:   0.2501                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5692 S12:   0.1105 S13:  -0.7294                       
REMARK   3      S21:  -0.1191 S22:  -0.0483 S23:  -0.0723                       
REMARK   3      S31:   0.3984 S32:   0.2673 S33:   0.0002                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 164:206)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   8.0058  99.2611  16.7214              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3759 T22:   0.5432                                     
REMARK   3      T33:   0.2908 T12:  -0.0490                                     
REMARK   3      T13:   0.0790 T23:   0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9129 L22:   0.7066                                     
REMARK   3      L33:   1.2163 L12:   0.9605                                     
REMARK   3      L13:   1.5168 L23:  -0.4681                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1203 S12:  -0.8873 S13:  -0.2580                       
REMARK   3      S21:   0.1459 S22:   0.1578 S23:   0.1016                       
REMARK   3      S31:   0.0851 S32:  -0.3190 S33:   0.0001                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 207:218)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  19.6998 101.0979  24.5955              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4748 T22:   0.6962                                     
REMARK   3      T33:   0.3957 T12:  -0.0036                                     
REMARK   3      T13:  -0.0250 T23:  -0.0050                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5917 L22:   0.8565                                     
REMARK   3      L33:   0.3494 L12:  -0.2083                                     
REMARK   3      L13:   0.2407 L23:   0.7257                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2566 S12:  -0.7605 S13:  -0.6553                       
REMARK   3      S21:   0.0774 S22:   0.2831 S23:  -0.3225                       
REMARK   3      S31:   0.5144 S32:  -0.2307 S33:  -0.0001                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 219:234)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  11.8369 112.3293  19.0121              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4495 T22:   0.5525                                     
REMARK   3      T33:   0.4124 T12:  -0.0394                                     
REMARK   3      T13:   0.0401 T23:  -0.1258                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1313 L22:   0.2004                                     
REMARK   3      L33:   0.4166 L12:   0.3089                                     
REMARK   3      L13:   0.4431 L23:   0.4436                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3566 S12:  -0.7442 S13:   0.6974                       
REMARK   3      S21:  -0.1099 S22:   0.0177 S23:  -0.0197                       
REMARK   3      S31:  -0.2886 S32:  -0.5086 S33:   0.0003                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 235:240)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   9.0840 120.2633  23.9861              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8076 T22:   0.9354                                     
REMARK   3      T33:   0.7851 T12:   0.0428                                     
REMARK   3      T13:   0.0712 T23:  -0.3920                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0134 L22:   0.1010                                     
REMARK   3      L33:   0.0511 L12:   0.0421                                     
REMARK   3      L13:   0.0391 L23:   0.0463                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0911 S12:  -0.7053 S13:   1.4756                       
REMARK   3      S21:   1.8785 S22:  -0.5558 S23:   1.3788                       
REMARK   3      S31:  -2.6878 S32:   0.6794 S33:  -0.0005                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 241:259)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  23.2901 113.7604  21.6800              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5314 T22:   0.6127                                     
REMARK   3      T33:   0.5612 T12:   0.0425                                     
REMARK   3      T13:  -0.1074 T23:  -0.2134                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7327 L22:   1.6242                                     
REMARK   3      L33:   0.9640 L12:   0.2708                                     
REMARK   3      L13:   0.3936 L23:  -0.5714                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1187 S12:  -0.9109 S13:   0.1551                       
REMARK   3      S21:   0.3209 S22:  -0.0362 S23:  -0.0568                       
REMARK   3      S31:  -0.0466 S32:   0.0203 S33:  -0.0000                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 260:273)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.5459 122.6297  15.5776              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5958 T22:   0.4676                                     
REMARK   3      T33:   0.7776 T12:   0.0631                                     
REMARK   3      T13:  -0.1603 T23:  -0.2018                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1531 L22:   0.3884                                     
REMARK   3      L33:   0.6713 L12:   0.0976                                     
REMARK   3      L13:  -0.2735 L23:  -0.5959                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1087 S12:   0.1708 S13:   0.6197                       
REMARK   3      S21:  -0.7762 S22:  -0.1869 S23:   1.1056                       
REMARK   3      S31:  -0.8462 S32:  -0.0412 S33:   0.0002                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 274:291)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  24.4144 125.1726  15.7752              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5532 T22:   0.5409                                     
REMARK   3      T33:   0.7399 T12:  -0.0214                                     
REMARK   3      T13:  -0.1045 T23:  -0.0973                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3483 L22:   1.1050                                     
REMARK   3      L33:   1.7352 L12:   0.5900                                     
REMARK   3      L13:   0.6648 L23:  -1.0664                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0823 S12:  -0.3879 S13:   0.2663                       
REMARK   3      S21:   0.1301 S22:  -0.3693 S23:  -0.2226                       
REMARK   3      S31:  -0.6998 S32:   0.5158 S33:  -0.0001                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 295:312)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  19.3572 127.0444   7.0238              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6390 T22:   0.5321                                     
REMARK   3      T33:   0.8943 T12:  -0.1539                                     
REMARK   3      T13:  -0.2304 T23:   0.0414                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9718 L22:   0.3125                                     
REMARK   3      L33:   1.6969 L12:  -0.3600                                     
REMARK   3      L13:   0.0552 L23:  -0.7275                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2332 S12:  -0.2068 S13:   0.8497                       
REMARK   3      S21:  -0.8054 S22:   0.3956 S23:   0.4531                       
REMARK   3      S31:  -0.1191 S32:   0.4128 S33:  -0.0001                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 313:320)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.7832 132.8827  -1.5477              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9295 T22:   1.0615                                     
REMARK   3      T33:   1.1056 T12:  -0.4052                                     
REMARK   3      T13:  -0.0647 T23:   0.1853                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0385 L22:   0.0637                                     
REMARK   3      L33:   0.0018 L12:   0.0318                                     
REMARK   3      L13:  -0.0297 L23:  -0.0002                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1690 S12:  -0.0771 S13:   1.2730                       
REMARK   3      S21:  -1.9127 S22:  -0.0666 S23:   1.2213                       
REMARK   3      S31:  -1.7872 S32:  -0.4136 S33:   0.0008                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 321:358)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   9.7428 127.1241   0.1290              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4933 T22:   0.3937                                     
REMARK   3      T33:   0.9672 T12:  -0.0731                                     
REMARK   3      T13:  -0.1695 T23:   0.1102                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2489 L22:   1.4503                                     
REMARK   3      L33:   2.1420 L12:   0.2527                                     
REMARK   3      L13:   2.1393 L23:  -0.3771                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2825 S12:   0.4015 S13:   0.9502                       
REMARK   3      S21:  -0.0660 S22:   0.1315 S23:  -0.2399                       
REMARK   3      S31:  -0.2485 S32:   0.3299 S33:   0.0001                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 359:376)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   5.0664 112.0999  -8.4249              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3597 T22:   0.4719                                     
REMARK   3      T33:   0.4950 T12:  -0.0021                                     
REMARK   3      T13:   0.0988 T23:   0.0324                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7485 L22:   0.1702                                     
REMARK   3      L33:   0.5551 L12:  -0.4907                                     
REMARK   3      L13:   0.0835 L23:   0.4430                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2400 S12:   0.8110 S13:   0.3906                       
REMARK   3      S21:  -0.4036 S22:  -0.1404 S23:   0.1680                       
REMARK   3      S31:  -0.0871 S32:   0.3659 S33:   0.0001                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 4:10)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  63.1492 107.8574  30.3697              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7125 T22:   0.7368                                     
REMARK   3      T33:   1.1902 T12:   0.3288                                     
REMARK   3      T13:  -0.3496 T23:  -0.2115                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2915 L22:   0.2482                                     
REMARK   3      L33:   0.3815 L12:   0.3200                                     
REMARK   3      L13:  -0.0377 L23:  -0.3405                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5649 S12:   2.1688 S13:  -0.9097                       
REMARK   3      S21:   0.2073 S22:  -0.7743 S23:  -0.6514                       
REMARK   3      S31:   0.0121 S32:   1.5966 S33:   0.0004                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 11:15)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  53.5004 117.5205  31.1104              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7125 T22:   0.6693                                     
REMARK   3      T33:   0.7652 T12:   0.0257                                     
REMARK   3      T13:  -0.1535 T23:   0.0214                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0929 L22:   0.1636                                     
REMARK   3      L33:   0.1468 L12:  -0.1694                                     
REMARK   3      L13:  -0.0761 L23:   0.1755                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4380 S12:  -0.4517 S13:   1.3981                       
REMARK   3      S21:   0.5285 S22:   0.0817 S23:  -0.3296                       
REMARK   3      S31:   0.9262 S32:  -0.1209 S33:  -0.0005                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 16:21)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  53.6317 109.9643  27.9024              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7482 T22:   0.7591                                     
REMARK   3      T33:   0.6006 T12:   0.2045                                     
REMARK   3      T13:  -0.0932 T23:   0.0294                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2005 L22:   0.0039                                     
REMARK   3      L33:   0.0969 L12:  -0.0392                                     
REMARK   3      L13:  -0.0402 L23:   0.0026                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3658 S12:  -0.6350 S13:  -0.2137                       
REMARK   3      S21:   1.3958 S22:  -1.1127 S23:   0.8718                       
REMARK   3      S31:   1.5558 S32:  -0.3453 S33:  -0.0009                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 22:28)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  57.6201 102.3073  23.4838              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9137 T22:   0.9288                                     
REMARK   3      T33:   1.0116 T12:   0.0421                                     
REMARK   3      T13:  -0.0542 T23:  -0.2769                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0226 L22:   0.0658                                     
REMARK   3      L33:   0.0201 L12:  -0.0106                                     
REMARK   3      L13:   0.1278 L23:  -0.0000                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0049 S12:   0.8523 S13:   0.0308                       
REMARK   3      S21:  -0.2219 S22:   0.1254 S23:  -0.5863                       
REMARK   3      S31:   0.7378 S32:   0.5663 S33:   0.0002                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 29:34)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  59.8366 106.7857  33.7782              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7566 T22:   0.6444                                     
REMARK   3      T33:   0.8934 T12:   0.0941                                     
REMARK   3      T13:  -0.0792 T23:   0.0845                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0948 L22:  -0.0188                                     
REMARK   3      L33:   0.0273 L12:  -0.0300                                     
REMARK   3      L13:   0.0028 L23:   0.0283                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4101 S12:   0.3702 S13:  -0.9724                       
REMARK   3      S21:   0.3107 S22:   0.1541 S23:   0.5780                       
REMARK   3      S31:  -0.2278 S32:   0.2568 S33:   0.0001                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 35:41)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  64.7745 114.1632  40.6469              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1127 T22:   0.4952                                     
REMARK   3      T33:   0.8006 T12:   0.1036                                     
REMARK   3      T13:  -0.2528 T23:  -0.0647                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0405 L22:   0.0235                                     
REMARK   3      L33:   0.0733 L12:  -0.0286                                     
REMARK   3      L13:   0.0485 L23:   0.0154                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4100 S12:  -0.4513 S13:   0.0369                       
REMARK   3      S21:   1.2381 S22:   0.2866 S23:   1.4975                       
REMARK   3      S31:   0.5608 S32:  -0.0126 S33:   0.0004                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 42:46)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  67.6223 105.4870  39.4523              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9422 T22:   0.6372                                     
REMARK   3      T33:   0.9154 T12:   0.1428                                     
REMARK   3      T13:  -0.2256 T23:   0.1201                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0265 L22:   0.0461                                     
REMARK   3      L33:   0.0482 L12:  -0.0197                                     
REMARK   3      L13:   0.0343 L23:   0.0225                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4804 S12:  -0.0128 S13:   0.1217                       
REMARK   3      S21:   0.4600 S22:   0.4152 S23:  -0.1749                       
REMARK   3      S31:   0.0206 S32:  -0.6912 S33:  -0.0003                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 47:54)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  67.6148 109.7412  30.3410              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8410 T22:   0.6952                                     
REMARK   3      T33:   1.0039 T12:   0.2584                                     
REMARK   3      T13:  -0.1201 T23:   0.0987                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2226 L22:   0.1070                                     
REMARK   3      L33:   0.2818 L12:   0.1066                                     
REMARK   3      L13:  -0.2406 L23:  -0.0054                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2675 S12:  -0.3556 S13:  -0.4990                       
REMARK   3      S21:   1.5179 S22:  -0.3969 S23:   0.1001                       
REMARK   3      S31:  -0.0612 S32:   1.0904 S33:   0.0003                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 55:60)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  63.8269 123.7157  34.1998              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9964 T22:   0.7515                                     
REMARK   3      T33:   1.2132 T12:   0.2525                                     
REMARK   3      T13:  -0.1487 T23:   0.1281                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0523 L22:   0.0630                                     
REMARK   3      L33:   0.0505 L12:   0.0242                                     
REMARK   3      L13:  -0.1337 L23:   0.0430                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1540 S12:  -1.3930 S13:   1.2416                       
REMARK   3      S21:  -0.3565 S22:   0.0684 S23:  -0.8166                       
REMARK   3      S31:   0.4620 S32:   0.5138 S33:  -0.0002                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 61:67)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  71.6977 121.1725  34.4509              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2843 T22:   0.8636                                     
REMARK   3      T33:   1.1343 T12:   0.0002                                     
REMARK   3      T13:  -0.0474 T23:  -0.1064                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0918 L22:   0.0221                                     
REMARK   3      L33:   0.0210 L12:   0.0736                                     
REMARK   3      L13:   0.0151 L23:   0.0904                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.9537 S12:  -0.0869 S13:   0.8277                       
REMARK   3      S21:   0.5316 S22:   1.0530 S23:   0.7546                       
REMARK   3      S31:  -2.3963 S32:   0.1552 S33:   0.0009                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 68:72)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  75.0181 113.7541  36.8995              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2668 T22:   0.9063                                     
REMARK   3      T33:   1.2251 T12:  -0.1055                                     
REMARK   3      T13:  -0.3753 T23:   0.1188                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1002 L22:   0.0042                                     
REMARK   3      L33:   0.0160 L12:   0.0410                                     
REMARK   3      L13:  -0.0146 L23:  -0.0050                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6663 S12:  -0.6568 S13:   0.0831                       
REMARK   3      S21:   1.2624 S22:  -0.6210 S23:  -0.2894                       
REMARK   3      S31:  -0.7168 S32:   1.2961 S33:  -0.0014                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 73:77)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  76.8041 108.1114  30.0942              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7858 T22:   1.1834                                     
REMARK   3      T33:   1.4619 T12:   0.2062                                     
REMARK   3      T13:  -0.1181 T23:   0.4927                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0792 L22:   0.0541                                     
REMARK   3      L33:   0.0068 L12:  -0.0637                                     
REMARK   3      L13:  -0.0495 L23:  -0.0102                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4732 S12:   1.1174 S13:  -1.0739                       
REMARK   3      S21:   0.0438 S22:  -0.6494 S23:  -0.3065                       
REMARK   3      S31:  -0.5424 S32:  -0.0561 S33:   0.0001                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 78:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  65.6203 118.1172  24.8803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8213 T22:   0.7676                                     
REMARK   3      T33:   1.2236 T12:   0.0942                                     
REMARK   3      T13:  -0.3596 T23:   0.1059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1373 L22:   0.1278                                     
REMARK   3      L33:   0.0513 L12:   0.0515                                     
REMARK   3      L13:   0.0683 L23:   0.0479                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4457 S12:   0.0406 S13:   0.9443                       
REMARK   3      S21:   0.7968 S22:   0.2676 S23:   1.4942                       
REMARK   3      S31:  -0.3205 S32:   0.5403 S33:   0.0007                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 84:88)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  66.4454 129.2981  22.8256              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9105 T22:   1.2044                                     
REMARK   3      T33:   1.7077 T12:  -0.0801                                     
REMARK   3      T13:  -0.0054 T23:   0.5293                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0193 L22:  -0.0349                                     
REMARK   3      L33:  -0.0577 L12:  -0.0095                                     
REMARK   3      L13:   0.0202 L23:   0.0015                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2592 S12:  -0.3463 S13:   0.2080                       
REMARK   3      S21:   1.2538 S22:  -0.9806 S23:  -1.1297                       
REMARK   3      S31:  -0.5381 S32:   1.9649 S33:  -0.0008                       
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 89:93)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  73.4397 124.4890  24.8109              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6715 T22:   1.1557                                     
REMARK   3      T33:   1.3318 T12:  -0.1702                                     
REMARK   3      T13:  -0.0163 T23:   0.2838                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0068 L22:   0.0856                                     
REMARK   3      L33:   0.0378 L12:  -0.0312                                     
REMARK   3      L13:   0.0526 L23:  -0.0228                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2813 S12:  -0.8301 S13:   1.1104                       
REMARK   3      S21:   1.2057 S22:   0.5245 S23:  -0.0186                       
REMARK   3      S31:  -0.2862 S32:  -0.5558 S33:   0.0001                       
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 94:101)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  74.2325 117.8981  22.8679              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6531 T22:   1.3473                                     
REMARK   3      T33:   1.0877 T12:   0.0319                                     
REMARK   3      T13:  -0.1385 T23:   0.0318                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0040 L22:   0.0827                                     
REMARK   3      L33:  -0.0134 L12:   0.0207                                     
REMARK   3      L13:   0.0162 L23:   0.0649                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0594 S12:   0.0635 S13:   1.3310                       
REMARK   3      S21:  -0.7982 S22:   0.0858 S23:  -0.6108                       
REMARK   3      S31:  -1.6604 S32:   1.4675 S33:  -0.0002                       
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 102:106)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  59.9016 118.7989  19.8829              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8381 T22:   0.8304                                     
REMARK   3      T33:   0.8005 T12:   0.0627                                     
REMARK   3      T13:  -0.0325 T23:  -0.0691                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0140 L22:  -0.0392                                     
REMARK   3      L33:   0.0116 L12:   0.0100                                     
REMARK   3      L13:  -0.0384 L23:   0.0132                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3756 S12:   0.1855 S13:  -0.1876                       
REMARK   3      S21:   0.1662 S22:   0.1397 S23:  -0.7678                       
REMARK   3      S31:   1.0035 S32:   0.8898 S33:  -0.0003                       
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 107:113)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  59.6757 110.3095  15.6955              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0014 T22:   1.0142                                     
REMARK   3      T33:   0.7593 T12:  -0.0094                                     
REMARK   3      T13:  -0.0478 T23:  -0.1307                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0169 L22:  -0.0090                                     
REMARK   3      L33:   0.1027 L12:   0.0216                                     
REMARK   3      L13:   0.0365 L23:   0.0126                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0474 S12:   1.0424 S13:  -1.3205                       
REMARK   3      S21:  -1.5822 S22:  -0.4256 S23:   0.1873                       
REMARK   3      S31:   0.7623 S32:  -0.4597 S33:  -0.0003                       
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 114:119)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  68.7236 106.0381  18.9407              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9813 T22:   1.0979                                     
REMARK   3      T33:   1.3925 T12:   0.0575                                     
REMARK   3      T13:   0.1842 T23:  -0.1627                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0020 L22:  -0.0033                                     
REMARK   3      L33:  -0.0077 L12:  -0.0123                                     
REMARK   3      L13:  -0.0070 L23:  -0.0188                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3000 S12:  -0.0939 S13:   0.1035                       
REMARK   3      S21:   0.2049 S22:  -0.2045 S23:   0.3582                       
REMARK   3      S31:  -0.0988 S32:   0.4726 S33:   0.0000                       
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 4:8)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  28.4288  67.0180  17.1638              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5226 T22:   0.9282                                     
REMARK   3      T33:   0.8354 T12:   0.4380                                     
REMARK   3      T13:   0.0729 T23:   0.2030                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0519 L22:   0.0295                                     
REMARK   3      L33:   0.0260 L12:   0.0509                                     
REMARK   3      L13:   0.0540 L23:  -0.0139                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0114 S12:  -1.1359 S13:  -1.3081                       
REMARK   3      S21:   0.8101 S22:   0.1175 S23:  -1.0236                       
REMARK   3      S31:   0.7301 S32:   0.4785 S33:   0.0007                       
REMARK   3   TLS GROUP : 61                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 9:13)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  21.4638  79.8954  12.4473              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8922 T22:   0.8064                                     
REMARK   3      T33:   0.7896 T12:  -0.0603                                     
REMARK   3      T13:  -0.2926 T23:   0.1765                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0804 L22:   0.0498                                     
REMARK   3      L33:   0.1122 L12:  -0.1438                                     
REMARK   3      L13:   0.0442 L23:   0.0777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8209 S12:   1.1835 S13:   0.3840                       
REMARK   3      S21:  -2.4575 S22:   0.5877 S23:   1.9354                       
REMARK   3      S31:  -0.6653 S32:  -0.1648 S33:  -0.0022                       
REMARK   3   TLS GROUP : 62                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 14:20)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  22.6943  74.2688   8.7773              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5438 T22:   0.7018                                     
REMARK   3      T33:   0.7773 T12:   0.1643                                     
REMARK   3      T13:  -0.0713 T23:   0.0854                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0542 L22:   0.0732                                     
REMARK   3      L33:  -0.0050 L12:  -0.0205                                     
REMARK   3      L13:   0.0599 L23:   0.0063                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0828 S12:   0.9643 S13:   0.9453                       
REMARK   3      S21:   0.9718 S22:  -0.7465 S23:  -1.1403                       
REMARK   3      S31:  -0.6562 S32:   0.9515 S33:   0.0023                       
REMARK   3   TLS GROUP : 63                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 21:25)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  25.7104  66.1366   6.8465              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0180 T22:   0.9253                                     
REMARK   3      T33:   1.0160 T12:   0.3483                                     
REMARK   3      T13:  -0.0424 T23:   0.0410                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0008 L22:   0.0200                                     
REMARK   3      L33:   0.0448 L12:  -0.0002                                     
REMARK   3      L13:  -0.0384 L23:   0.0324                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2599 S12:  -0.7988 S13:  -0.6367                       
REMARK   3      S21:  -0.1569 S22:   0.2516 S23:   1.0121                       
REMARK   3      S31:   0.1649 S32:  -0.0453 S33:   0.0001                       
REMARK   3   TLS GROUP : 64                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 26:30)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  27.8293  63.0949  11.7593              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0412 T22:   0.8558                                     
REMARK   3      T33:   1.1030 T12:   0.3782                                     
REMARK   3      T13:  -0.0705 T23:   0.0474                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0036 L22:   0.0389                                     
REMARK   3      L33:   0.0352 L12:  -0.0282                                     
REMARK   3      L13:   0.0040 L23:   0.0697                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5609 S12:   0.3213 S13:  -0.9185                       
REMARK   3      S21:  -0.6506 S22:   0.2098 S23:  -0.0314                       
REMARK   3      S31:   0.8041 S32:   0.3597 S33:  -0.0001                       
REMARK   3   TLS GROUP : 65                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 31:36)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  21.5314  74.5141  18.8576              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4443 T22:   1.0217                                     
REMARK   3      T33:   0.5985 T12:   0.0991                                     
REMARK   3      T13:   0.0015 T23:  -0.0681                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0820 L22:   0.1440                                     
REMARK   3      L33:   0.0291 L12:   0.0839                                     
REMARK   3      L13:  -0.1588 L23:  -0.1416                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0346 S12:   0.2767 S13:  -0.4318                       
REMARK   3      S21:  -0.2679 S22:   0.3552 S23:   0.5842                       
REMARK   3      S31:   0.4467 S32:   0.4808 S33:  -0.0003                       
REMARK   3   TLS GROUP : 66                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 37:44)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  22.8989  73.6613  25.9591              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3986 T22:   0.8603                                     
REMARK   3      T33:   0.4933 T12:   0.0081                                     
REMARK   3      T13:   0.2352 T23:   0.2125                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0330 L22:   0.0624                                     
REMARK   3      L33:   0.0623 L12:  -0.0014                                     
REMARK   3      L13:   0.0367 L23:   0.0808                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1564 S12:  -1.2715 S13:  -0.8219                       
REMARK   3      S21:   0.3926 S22:  -0.5593 S23:  -0.3627                       
REMARK   3      S31:   0.2707 S32:   1.5951 S33:   0.0005                       
REMARK   3   TLS GROUP : 67                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 45:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  27.0752  65.2618  24.7419              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8686 T22:   1.0484                                     
REMARK   3      T33:   0.7497 T12:   0.2721                                     
REMARK   3      T13:  -0.0310 T23:   0.3022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0571 L22:  -0.0827                                     
REMARK   3      L33:  -0.0296 L12:   0.0028                                     
REMARK   3      L13:   0.0142 L23:  -0.0580                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0776 S12:   0.9374 S13:   0.6753                       
REMARK   3      S21:   0.1370 S22:  -0.2656 S23:  -0.3470                       
REMARK   3      S31:   0.7295 S32:   0.6307 S33:  -0.0003                       
REMARK   3   TLS GROUP : 68                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 50:54)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  30.6908  75.7208  17.0469              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3778 T22:   1.0524                                     
REMARK   3      T33:   0.6644 T12:   0.2203                                     
REMARK   3      T13:   0.0206 T23:   0.0586                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0649 L22:   0.0562                                     
REMARK   3      L33:   0.0240 L12:   0.0744                                     
REMARK   3      L13:  -0.0409 L23:  -0.0552                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4211 S12:   0.1103 S13:   0.3384                       
REMARK   3      S21:  -0.4282 S22:  -0.0110 S23:   0.2477                       
REMARK   3      S31:   0.0546 S32:   0.0673 S33:   0.0013                       
REMARK   3   TLS GROUP : 69                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 55:60)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  25.9356  86.2686  19.0899              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7083 T22:   0.9511                                     
REMARK   3      T33:   0.7489 T12:  -0.0820                                     
REMARK   3      T13:  -0.0310 T23:   0.1493                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0694 L22:   0.1500                                     
REMARK   3      L33:  -0.0091 L12:  -0.1374                                     
REMARK   3      L13:  -0.0235 L23:   0.1230                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.4153 S12:  -0.0880 S13:  -0.5521                       
REMARK   3      S21:   1.2183 S22:  -0.1760 S23:  -0.7176                       
REMARK   3      S31:  -0.5049 S32:   1.4882 S33:   0.0000                       
REMARK   3   TLS GROUP : 70                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 61:66)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  30.7339  83.9610  24.2453              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0742 T22:   1.1275                                     
REMARK   3      T33:   1.1780 T12:  -0.2557                                     
REMARK   3      T13:   0.1394 T23:  -0.0669                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0051 L22:   0.0093                                     
REMARK   3      L33:   0.0262 L12:  -0.0193                                     
REMARK   3      L13:  -0.0026 L23:   0.0679                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4859 S12:  -1.1241 S13:   0.6506                       
REMARK   3      S21:   0.4393 S22:  -0.4159 S23:   0.9806                       
REMARK   3      S31:  -1.2324 S32:   0.2024 S33:  -0.0009                       
REMARK   3   TLS GROUP : 71                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 67:71)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  31.8677  78.0440  29.2936              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7438 T22:   2.5049                                     
REMARK   3      T33:   0.8455 T12:   0.1229                                     
REMARK   3      T13:  -0.0368 T23:  -0.4809                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0384 L22:  -0.0097                                     
REMARK   3      L33:   0.0300 L12:   0.0011                                     
REMARK   3      L13:  -0.0110 L23:   0.0065                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2192 S12:  -1.5303 S13:   0.6868                       
REMARK   3      S21:  -0.0097 S22:  -1.2242 S23:  -0.1436                       
REMARK   3      S31:   0.2146 S32:   1.0048 S33:  -0.0003                       
REMARK   3   TLS GROUP : 72                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 72:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  35.3652  70.1334  28.6649              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6631 T22:   2.7790                                     
REMARK   3      T33:   0.9644 T12:   0.2298                                     
REMARK   3      T13:   0.1312 T23:   0.7066                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0284 L22:  -0.0132                                     
REMARK   3      L33:   0.0040 L12:  -0.0005                                     
REMARK   3      L13:  -0.0108 L23:   0.0003                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6301 S12:  -0.1191 S13:   0.9441                       
REMARK   3      S21:  -0.1410 S22:  -0.1690 S23:  -1.8430                       
REMARK   3      S31:   0.4506 S32:   0.8996 S33:   0.0023                       
REMARK   3   TLS GROUP : 73                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 77:82)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  34.9124  76.9797  16.3254              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5763 T22:   1.0139                                     
REMARK   3      T33:   0.8021 T12:   0.0894                                     
REMARK   3      T13:  -0.0025 T23:   0.0665                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1127 L22:   0.0749                                     
REMARK   3      L33:   0.1389 L12:   0.0116                                     
REMARK   3      L13:   0.0239 L23:   0.1304                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2905 S12:  -0.8662 S13:   0.3948                       
REMARK   3      S21:  -0.4031 S22:  -0.6554 S23:  -0.8396                       
REMARK   3      S31:  -0.0484 S32:   1.7195 S33:  -0.0001                       
REMARK   3   TLS GROUP : 74                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 99:104)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  36.9657  79.2713  11.5988              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7086 T22:   1.2800                                     
REMARK   3      T33:   1.1113 T12:  -0.0389                                     
REMARK   3      T13:  -0.0602 T23:   0.1105                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0179 L22:   0.0087                                     
REMARK   3      L33:  -0.0177 L12:   0.0571                                     
REMARK   3      L13:   0.0003 L23:  -0.0610                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0355 S12:   0.0193 S13:  -1.6579                       
REMARK   3      S21:  -1.1776 S22:   0.6129 S23:  -0.6908                       
REMARK   3      S31:  -0.3764 S32:   1.4165 S33:   0.0001                       
REMARK   3   TLS GROUP : 75                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 105:109)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  33.0572  75.7703   2.8339              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0147 T22:   1.7391                                     
REMARK   3      T33:   1.0500 T12:   0.2816                                     
REMARK   3      T13:   0.2251 T23:   0.1139                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0160 L22:   0.0352                                     
REMARK   3      L33:   0.0040 L12:  -0.0063                                     
REMARK   3      L13:  -0.0075 L23:  -0.0297                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2475 S12:   0.6209 S13:  -1.2312                       
REMARK   3      S21:   0.0223 S22:  -0.7328 S23:  -0.3058                       
REMARK   3      S31:   0.0267 S32:   0.5847 S33:   0.0007                       
REMARK   3   TLS GROUP : 76                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 110:119)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  38.1646  69.1129   9.5043              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8483 T22:   1.0939                                     
REMARK   3      T33:   1.1883 T12:   0.3105                                     
REMARK   3      T13:   0.1050 T23:  -0.0672                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0770 L22:   0.0091                                     
REMARK   3      L33:   0.0860 L12:  -0.0440                                     
REMARK   3      L13:   0.1080 L23:  -0.0295                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5073 S12:   0.1609 S13:  -1.3119                       
REMARK   3      S21:  -0.9062 S22:   0.0368 S23:  -1.4672                       
REMARK   3      S31:  -0.3655 S32:   2.2243 S33:  -0.0001                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3Q15 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-DEC-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB063063.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-OCT-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X29A                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.07500                            
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 58465                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.800                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 3.690                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.24                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.43                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.53                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% [W/V] PEG 3350, 200 MM LITHIUM       
REMARK 280  SULPHATE, AND 100 MM BIS-TRIS (PH 6.0), VAPOR DIFFUSION, HANGING    
REMARK 280  DROP, TEMPERATURE 293K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       47.53200            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       78.72600            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       47.53200            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       78.72600            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 9490 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 43940 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -89.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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   BIOMT1   2 -1.000000  0.000000  0.000000       65.29926            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000       79.31388            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 9140 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 39660 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -81.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, 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   BIOMT1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH B 407  LIES ON A SPECIAL POSITION.                          
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     GLY A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     GLN A     3                                                      
REMARK 465     PRO A    69                                                      
REMARK 465     GLY A    70                                                      
REMARK 465     LYS A    71                                                      
REMARK 465     THR A    72                                                      
REMARK 465     TYR A    73                                                      
REMARK 465     GLY A    74                                                      
REMARK 465     ASN A    75                                                      
REMARK 465     ARG A    76                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     SER B     2                                                      
REMARK 465     GLN B     3                                                      
REMARK 465     PRO B    27                                                      
REMARK 465     ASP B    28                                                      
REMARK 465     ALA B    29                                                      
REMARK 465     GLU B    30                                                      
REMARK 465     ILE B    31                                                      
REMARK 465     LEU B    32                                                      
REMARK 465     LYS B    33                                                      
REMARK 465     ALA B    34                                                      
REMARK 465     GLU B    35                                                      
REMARK 465     VAL B    36                                                      
REMARK 465     GLU B    37                                                      
REMARK 465     GLN B    38                                                      
REMARK 465     ASP B    39                                                      
REMARK 465     ILE B    40                                                      
REMARK 465     GLN B    41                                                      
REMARK 465     GLN B    42                                                      
REMARK 465     MET B    43                                                      
REMARK 465     GLU B    44                                                      
REMARK 465     GLU B    45                                                      
REMARK 465     LEU B    67                                                      
REMARK 465     GLU B    68                                                      
REMARK 465     PRO B    69                                                      
REMARK 465     GLY B    70                                                      
REMARK 465     LYS B    71                                                      
REMARK 465     THR B    72                                                      
REMARK 465     TYR B    73                                                      
REMARK 465     GLY B    74                                                      
REMARK 465     ASN B    75                                                      
REMARK 465     ARG B    76                                                      
REMARK 465     PRO B    77                                                      
REMARK 465     THR B    78                                                      
REMARK 465     VAL B    79                                                      
REMARK 465     THR B    80                                                      
REMARK 465     GLU B    81                                                      
REMARK 465     LEU B    82                                                      
REMARK 465     LEU B    83                                                      
REMARK 465     GLU B    84                                                      
REMARK 465     THR B    85                                                      
REMARK 465     ARG B   292                                                      
REMARK 465     SER B   293                                                      
REMARK 465     HIS B   294                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     SER C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     MET C     2                                                      
REMARK 465     ASN C     3                                                      
REMARK 465     PRO C   120                                                      
REMARK 465     LEU C   121                                                      
REMARK 465     LYS C   122                                                      
REMARK 465     SER C   123                                                      
REMARK 465     ASN C   124                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     SER D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     MET D     2                                                      
REMARK 465     ASN D     3                                                      
REMARK 465     ALA D    83                                                      
REMARK 465     TYR D    84                                                      
REMARK 465     GLY D    85                                                      
REMARK 465     GLU D    86                                                      
REMARK 465     LEU D    87                                                      
REMARK 465     ASP D    88                                                      
REMARK 465     MET D    89                                                      
REMARK 465     ILE D    90                                                      
REMARK 465     GLN D    91                                                      
REMARK 465     GLU D    92                                                      
REMARK 465     SER D    93                                                      
REMARK 465     LYS D    94                                                      
REMARK 465     GLU D    95                                                      
REMARK 465     LEU D    96                                                      
REMARK 465     GLY D    97                                                      
REMARK 465     ALA D    98                                                      
REMARK 465     PRO D   120                                                      
REMARK 465     LEU D   121                                                      
REMARK 465     LYS D   122                                                      
REMARK 465     SER D   123                                                      
REMARK 465     ASN D   124                                                      
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    ASP A  46       90.79   -163.71                                   
REMARK 500    GLN A  90       52.01   -118.50                                   
REMARK 500    ASP A 134      112.63   -162.30                                   
REMARK 500    TYR A 175       51.91    -91.41                                   
REMARK 500    ASP A 235       75.13   -104.23                                   
REMARK 500    GLN A 274       57.69   -100.34                                   
REMARK 500    SER A 293      150.35    -46.76                                   
REMARK 500    ALA A 375       47.54   -150.97                                   
REMARK 500    SER B 133       70.07    -69.08                                   
REMARK 500    ASP B 134      104.22   -163.87                                   
REMARK 500    TYR B 175       47.42    -88.95                                   
REMARK 500    HIS B 195       63.14   -103.58                                   
REMARK 500    ASP B 235       73.23   -104.56                                   
REMARK 500    GLN B 274       55.98   -119.43                                   
REMARK 500    GLU B 314        1.43    -68.79                                   
REMARK 500    HIS B 349       72.44   -107.14                                   
REMARK 500    ARG C  47       70.07     55.40                                   
REMARK 500    LYS C  56       74.52   -107.02                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 428        DISTANCE =  5.07 ANGSTROMS                       
REMARK 525    HOH A 433        DISTANCE =  5.04 ANGSTROMS                       
REMARK 525    HOH B 424        DISTANCE =  5.62 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG C 125  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C  54   OD1                                                    
REMARK 620 2 ASP C  11   OD1  86.3                                              
REMARK 620 3 LYS C  56   O    71.9  87.5                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG D 125  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP D  11   OD1                                                    
REMARK 620 2 ASP D  54   OD1  82.4                                              
REMARK 620 3 LYS D  56   O    92.2  77.4                                        
REMARK 620 N                    1     2                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 377                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 378                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 377                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 378                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 125                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 125                  
DBREF  3Q15 A    1   376  UNP    Q59HN8   RAPH_BACSU       1    376             
DBREF  3Q15 B    1   376  UNP    Q59HN8   RAPH_BACSU       1    376             
DBREF  3Q15 C    1   124  UNP    P06628   SP0F_BACSU       1    124             
DBREF  3Q15 D    1   124  UNP    P06628   SP0F_BACSU       1    124             
SEQADV 3Q15 GLY A   -1  UNP  Q59HN8              EXPRESSION TAG                 
SEQADV 3Q15 SER A    0  UNP  Q59HN8              EXPRESSION TAG                 
SEQADV 3Q15 GLY B   -1  UNP  Q59HN8              EXPRESSION TAG                 
SEQADV 3Q15 SER B    0  UNP  Q59HN8              EXPRESSION TAG                 
SEQADV 3Q15 GLY C   -1  UNP  P06628              EXPRESSION TAG                 
SEQADV 3Q15 SER C    0  UNP  P06628              EXPRESSION TAG                 
SEQADV 3Q15 GLY D   -1  UNP  P06628              EXPRESSION TAG                 
SEQADV 3Q15 SER D    0  UNP  P06628              EXPRESSION TAG                 
SEQRES   1 A  378  GLY SER MET SER GLN ALA ILE PRO SER SER ARG VAL GLY          
SEQRES   2 A  378  VAL LYS ILE ASN GLU TRP TYR LYS MET ILE ARG GLN PHE          
SEQRES   3 A  378  SER VAL PRO ASP ALA GLU ILE LEU LYS ALA GLU VAL GLU          
SEQRES   4 A  378  GLN ASP ILE GLN GLN MET GLU GLU ASP GLN ASP LEU LEU          
SEQRES   5 A  378  ILE TYR TYR SER LEU MET CYS PHE ARG HIS GLN LEU MET          
SEQRES   6 A  378  LEU ASP TYR LEU GLU PRO GLY LYS THR TYR GLY ASN ARG          
SEQRES   7 A  378  PRO THR VAL THR GLU LEU LEU GLU THR ILE GLU THR PRO          
SEQRES   8 A  378  GLN LYS LYS LEU THR GLY LEU LEU LYS TYR TYR SER LEU          
SEQRES   9 A  378  PHE PHE ARG GLY MET TYR GLU PHE ASP GLN LYS GLU TYR          
SEQRES  10 A  378  VAL GLU ALA ILE GLY TYR TYR ARG GLU ALA GLU LYS GLU          
SEQRES  11 A  378  LEU PRO PHE VAL SER ASP ASP ILE GLU LYS ALA GLU PHE          
SEQRES  12 A  378  HIS PHE LYS VAL ALA GLU ALA TYR TYR HIS MET LYS GLN          
SEQRES  13 A  378  THR HIS VAL SER MET TYR HIS ILE LEU GLN ALA LEU ASP          
SEQRES  14 A  378  ILE TYR GLN ASN HIS PRO LEU TYR SER ILE ARG THR ILE          
SEQRES  15 A  378  GLN SER LEU PHE VAL ILE ALA GLY ASN TYR ASP ASP PHE          
SEQRES  16 A  378  LYS HIS TYR ASP LYS ALA LEU PRO HIS LEU GLU ALA ALA          
SEQRES  17 A  378  LEU GLU LEU ALA MET ASP ILE GLN ASN ASP ARG PHE ILE          
SEQRES  18 A  378  ALA ILE SER LEU LEU ASN ILE ALA ASN SER TYR ASP ARG          
SEQRES  19 A  378  SER GLY ASP ASP GLN MET ALA VAL GLU HIS PHE GLN LYS          
SEQRES  20 A  378  ALA ALA LYS VAL SER ARG GLU LYS VAL PRO ASP LEU LEU          
SEQRES  21 A  378  PRO LYS VAL LEU PHE GLY LEU SER TRP THR LEU CYS LYS          
SEQRES  22 A  378  ALA GLY GLN THR GLN LYS ALA PHE GLN PHE ILE GLU GLU          
SEQRES  23 A  378  GLY LEU ASP HIS ILE THR ALA ARG SER HIS LYS PHE TYR          
SEQRES  24 A  378  LYS GLU LEU PHE LEU PHE LEU GLN ALA VAL TYR LYS GLU          
SEQRES  25 A  378  THR VAL ASP GLU ARG LYS ILE HIS ASP LEU LEU SER TYR          
SEQRES  26 A  378  PHE GLU LYS LYS ASN LEU HIS ALA TYR ILE GLU ALA CYS          
SEQRES  27 A  378  ALA ARG SER ALA ALA ALA VAL PHE GLU SER SER CYS HIS          
SEQRES  28 A  378  PHE GLU GLN ALA ALA ALA PHE TYR ARG LYS VAL LEU LYS          
SEQRES  29 A  378  ALA GLN GLU ASP ILE LEU LYS GLY GLU CYS LEU TYR ALA          
SEQRES  30 A  378  TYR                                                          
SEQRES   1 B  378  GLY SER MET SER GLN ALA ILE PRO SER SER ARG VAL GLY          
SEQRES   2 B  378  VAL LYS ILE ASN GLU TRP TYR LYS MET ILE ARG GLN PHE          
SEQRES   3 B  378  SER VAL PRO ASP ALA GLU ILE LEU LYS ALA GLU VAL GLU          
SEQRES   4 B  378  GLN ASP ILE GLN GLN MET GLU GLU ASP GLN ASP LEU LEU          
SEQRES   5 B  378  ILE TYR TYR SER LEU MET CYS PHE ARG HIS GLN LEU MET          
SEQRES   6 B  378  LEU ASP TYR LEU GLU PRO GLY LYS THR TYR GLY ASN ARG          
SEQRES   7 B  378  PRO THR VAL THR GLU LEU LEU GLU THR ILE GLU THR PRO          
SEQRES   8 B  378  GLN LYS LYS LEU THR GLY LEU LEU LYS TYR TYR SER LEU          
SEQRES   9 B  378  PHE PHE ARG GLY MET TYR GLU PHE ASP GLN LYS GLU TYR          
SEQRES  10 B  378  VAL GLU ALA ILE GLY TYR TYR ARG GLU ALA GLU LYS GLU          
SEQRES  11 B  378  LEU PRO PHE VAL SER ASP ASP ILE GLU LYS ALA GLU PHE          
SEQRES  12 B  378  HIS PHE LYS VAL ALA GLU ALA TYR TYR HIS MET LYS GLN          
SEQRES  13 B  378  THR HIS VAL SER MET TYR HIS ILE LEU GLN ALA LEU ASP          
SEQRES  14 B  378  ILE TYR GLN ASN HIS PRO LEU TYR SER ILE ARG THR ILE          
SEQRES  15 B  378  GLN SER LEU PHE VAL ILE ALA GLY ASN TYR ASP ASP PHE          
SEQRES  16 B  378  LYS HIS TYR ASP LYS ALA LEU PRO HIS LEU GLU ALA ALA          
SEQRES  17 B  378  LEU GLU LEU ALA MET ASP ILE GLN ASN ASP ARG PHE ILE          
SEQRES  18 B  378  ALA ILE SER LEU LEU ASN ILE ALA ASN SER TYR ASP ARG          
SEQRES  19 B  378  SER GLY ASP ASP GLN MET ALA VAL GLU HIS PHE GLN LYS          
SEQRES  20 B  378  ALA ALA LYS VAL SER ARG GLU LYS VAL PRO ASP LEU LEU          
SEQRES  21 B  378  PRO LYS VAL LEU PHE GLY LEU SER TRP THR LEU CYS LYS          
SEQRES  22 B  378  ALA GLY GLN THR GLN LYS ALA PHE GLN PHE ILE GLU GLU          
SEQRES  23 B  378  GLY LEU ASP HIS ILE THR ALA ARG SER HIS LYS PHE TYR          
SEQRES  24 B  378  LYS GLU LEU PHE LEU PHE LEU GLN ALA VAL TYR LYS GLU          
SEQRES  25 B  378  THR VAL ASP GLU ARG LYS ILE HIS ASP LEU LEU SER TYR          
SEQRES  26 B  378  PHE GLU LYS LYS ASN LEU HIS ALA TYR ILE GLU ALA CYS          
SEQRES  27 B  378  ALA ARG SER ALA ALA ALA VAL PHE GLU SER SER CYS HIS          
SEQRES  28 B  378  PHE GLU GLN ALA ALA ALA PHE TYR ARG LYS VAL LEU LYS          
SEQRES  29 B  378  ALA GLN GLU ASP ILE LEU LYS GLY GLU CYS LEU TYR ALA          
SEQRES  30 B  378  TYR                                                          
SEQRES   1 C  126  GLY SER MET MET ASN GLU LYS ILE LEU ILE VAL ASP ASP          
SEQRES   2 C  126  GLN TYR GLY ILE ARG ILE LEU LEU ASN GLU VAL PHE ASN          
SEQRES   3 C  126  LYS GLU GLY TYR GLN THR PHE GLN ALA ALA ASN GLY LEU          
SEQRES   4 C  126  GLN ALA LEU ASP ILE VAL THR LYS GLU ARG PRO ASP LEU          
SEQRES   5 C  126  VAL LEU LEU ASP MET LYS ILE PRO GLY MET ASP GLY ILE          
SEQRES   6 C  126  GLU ILE LEU LYS ARG MET LYS VAL ILE ASP GLU ASN ILE          
SEQRES   7 C  126  ARG VAL ILE ILE MET THR ALA TYR GLY GLU LEU ASP MET          
SEQRES   8 C  126  ILE GLN GLU SER LYS GLU LEU GLY ALA LEU THR HIS PHE          
SEQRES   9 C  126  ALA LYS PRO PHE ASP ILE ASP GLU ILE ARG ASP ALA VAL          
SEQRES  10 C  126  LYS LYS TYR LEU PRO LEU LYS SER ASN                          
SEQRES   1 D  126  GLY SER MET MET ASN GLU LYS ILE LEU ILE VAL ASP ASP          
SEQRES   2 D  126  GLN TYR GLY ILE ARG ILE LEU LEU ASN GLU VAL PHE ASN          
SEQRES   3 D  126  LYS GLU GLY TYR GLN THR PHE GLN ALA ALA ASN GLY LEU          
SEQRES   4 D  126  GLN ALA LEU ASP ILE VAL THR LYS GLU ARG PRO ASP LEU          
SEQRES   5 D  126  VAL LEU LEU ASP MET LYS ILE PRO GLY MET ASP GLY ILE          
SEQRES   6 D  126  GLU ILE LEU LYS ARG MET LYS VAL ILE ASP GLU ASN ILE          
SEQRES   7 D  126  ARG VAL ILE ILE MET THR ALA TYR GLY GLU LEU ASP MET          
SEQRES   8 D  126  ILE GLN GLU SER LYS GLU LEU GLY ALA LEU THR HIS PHE          
SEQRES   9 D  126  ALA LYS PRO PHE ASP ILE ASP GLU ILE ARG ASP ALA VAL          
SEQRES  10 D  126  LYS LYS TYR LEU PRO LEU LYS SER ASN                          
HET    GOL  A 377       6                                                       
HET    SO4  A 378       5                                                       
HET    GOL  B 377       6                                                       
HET    SO4  B 378       5                                                       
HET     MG  C 125       1                                                       
HET     MG  D 125       1                                                       
HETNAM     GOL GLYCEROL                                                         
HETNAM     SO4 SULFATE ION                                                      
HETNAM      MG MAGNESIUM ION                                                    
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    2(C3 H8 O3)                                                  
FORMUL   6  SO4    2(O4 S 2-)                                                   
FORMUL   9   MG    2(MG 2+)                                                     
FORMUL  11  HOH   *236(H2 O)                                                    
HELIX    1   1 PRO A    6  GLN A   23  1                                  18    
HELIX    2   2 SER A   25  ILE A   40  1                                  16    
HELIX    3   3 GLN A   41  MET A   43  5                                   3    
HELIX    4   4 ASP A   46  TYR A   66  1                                  21    
HELIX    5   5 THR A   78  THR A   88  1                                  11    
HELIX    6   6 GLN A   90  GLN A  112  1                                  23    
HELIX    7   7 GLU A  114  LYS A  127  1                                  14    
HELIX    8   8 GLU A  128  VAL A  132  5                                   5    
HELIX    9   9 ASP A  134  MET A  152  1                                  19    
HELIX   10  10 GLN A  154  ASN A  171  1                                  18    
HELIX   11  11 TYR A  175  PHE A  193  1                                  19    
HELIX   12  12 HIS A  195  ILE A  213  1                                  19    
HELIX   13  13 ASN A  215  GLY A  234  1                                  20    
HELIX   14  14 ASP A  235  VAL A  254  1                                  20    
HELIX   15  15 LEU A  257  ALA A  272  1                                  16    
HELIX   16  16 GLN A  274  ILE A  289  1                                  16    
HELIX   17  17 PHE A  296  LYS A  309  1                                  14    
HELIX   18  18 ASP A  313  LYS A  327  1                                  15    
HELIX   19  19 LEU A  329  SER A  347  1                                  19    
HELIX   20  20 HIS A  349  GLU A  371  1                                  23    
HELIX   21  21 PRO B    6  ARG B   22  1                                  17    
HELIX   22  22 ASP B   46  TYR B   66  1                                  21    
HELIX   23  23 GLU B   87  PRO B   89  5                                   3    
HELIX   24  24 GLN B   90  GLN B  112  1                                  23    
HELIX   25  25 GLU B  114  LYS B  127  1                                  14    
HELIX   26  26 GLU B  128  VAL B  132  5                                   5    
HELIX   27  27 ASP B  134  MET B  152  1                                  19    
HELIX   28  28 GLN B  154  GLN B  170  1                                  17    
HELIX   29  29 TYR B  175  PHE B  193  1                                  19    
HELIX   30  30 HIS B  195  ILE B  213  1                                  19    
HELIX   31  31 ASN B  215  SER B  233  1                                  19    
HELIX   32  32 ASP B  235  VAL B  254  1                                  20    
HELIX   33  33 LEU B  257  GLY B  273  1                                  17    
HELIX   34  34 GLN B  274  ASP B  287  1                                  14    
HELIX   35  35 PHE B  296  TYR B  308  1                                  13    
HELIX   36  36 ASP B  313  LYS B  327  1                                  15    
HELIX   37  37 LEU B  329  SER B  347  1                                  19    
HELIX   38  38 HIS B  349  CYS B  372  1                                  24    
HELIX   39  39 GLN C   12  LYS C   25  1                                  14    
HELIX   40  40 ASN C   35  ARG C   47  1                                  13    
HELIX   41  41 ASP C   61  ASP C   73  1                                  13    
HELIX   42  42 GLU C   86  LEU C   96  1                                  11    
HELIX   43  43 ASP C  107  LEU C  119  1                                  13    
HELIX   44  44 GLN D   12  GLU D   26  1                                  15    
HELIX   45  45 ASN D   35  ARG D   47  1                                  13    
HELIX   46  46 ASP D   61  ASP D   73  1                                  13    
HELIX   47  47 ASP D  107  TYR D  118  1                                  12    
SHEET    1   A 5 GLN C  29  ALA C  33  0                                        
SHEET    2   A 5 LYS C   5  VAL C   9  1  N  ILE C   6   O  PHE C  31           
SHEET    3   A 5 LEU C  50  ASP C  54  1  O  LEU C  52   N  VAL C   9           
SHEET    4   A 5 VAL C  78  THR C  82  1  O  ILE C  79   N  VAL C  51           
SHEET    5   A 5 HIS C 101  ALA C 103  1  O  PHE C 102   N  ILE C  80           
SHEET    1   B 5 GLN D  29  ALA D  33  0                                        
SHEET    2   B 5 LYS D   5  VAL D   9  1  N  ILE D   8   O  PHE D  31           
SHEET    3   B 5 LEU D  50  ASP D  54  1  O  LEU D  52   N  LEU D   7           
SHEET    4   B 5 ARG D  77  THR D  82  1  O  ILE D  79   N  VAL D  51           
SHEET    5   B 5 HIS D 101  ALA D 103  1  O  PHE D 102   N  THR D  82           
LINK         OD1 ASP C  54                MG    MG C 125     1555   1555  2.09  
LINK         OD1 ASP D  11                MG    MG D 125     1555   1555  2.13  
LINK         OD1 ASP C  11                MG    MG C 125     1555   1555  2.16  
LINK         OD1 ASP D  54                MG    MG D 125     1555   1555  2.20  
LINK         O   LYS C  56                MG    MG C 125     1555   1555  2.27  
LINK         O   LYS D  56                MG    MG D 125     1555   1555  2.28  
CISPEP   1 LYS C  104    PRO C  105          0        -1.34                     
CISPEP   2 LYS D  104    PRO D  105          0        -1.94                     
SITE     1 AC1  8 LYS A 153  GLN A 154  THR A 155  PHE A 193                    
SITE     2 AC1  8 LEU A 368  GLU A 371  HOH A 453  HOH A 466                    
SITE     1 AC2  2 LYS A 144  ARG A 178                                          
SITE     1 AC3  6 LYS B 153  GLN B 154  THR B 155  LEU B 368                    
SITE     2 AC3  6 GLU B 371  HOH B 389                                          
SITE     1 AC4  1 ARG B 178                                                     
SITE     1 AC5  3 ASP C  11  ASP C  54  LYS C  56                               
SITE     1 AC6  3 ASP D  11  ASP D  54  LYS D  56                               
CRYST1   95.064  157.452   84.715  90.00 110.57  90.00 C 1 2 1       8          
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      0.010519  0.000000  0.003947        0.00000                         
SCALE2      0.000000  0.006351  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012608        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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