GenomeNet

Database: PDB
Entry: 4M10
LinkDB: 4M10
Original site: 4M10 
HEADER    OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 02-AUG-13   4M10              
TITLE     CRYSTAL STRUCTURE OF MURINE CYCLOOXYGENASE-2 COMPLEX WITH ISOXICAM    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROSTAGLANDIN G/H SYNTHASE 2;                              
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 FRAGMENT: UNP RESIDUES 18-604;                                       
COMPND   5 SYNONYM: CYCLOOXYGENASE-2, COX-2, GLUCOCORTICOID-REGULATED           
COMPND   6 INFLAMMATORY CYCLOOXYGENASE, GRIPGHS, MACROPHAGE ACTIVATION-         
COMPND   7 ASSOCIATED MARKER PROTEIN P71/73, PES-2, PHS II, PROSTAGLANDIN H2    
COMPND   8 SYNTHASE 2, PGH SYNTHASE 2, PGHS-2, PROSTAGLANDIN-ENDOPEROXIDE       
COMPND   9 SYNTHASE 2, TIS10 PROTEIN;                                           
COMPND  10 EC: 1.14.99.1;                                                       
COMPND  11 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: PTGS2, COX-2, COX2, PGHS-B, TIS10;                             
SOURCE   6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: SF21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS;                          
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PVL1393                                   
KEYWDS    NSAID, COX, DIOXYGENASE, PEROXIDASE, GLYCOSYLATION, OXIDOREDUCTASE-   
KEYWDS   2 OXIDOREDUCTASE INHIBITOR COMPLEX                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.XU,D.J.HERMANSON,S.BANERJEE,K.GHEBREELASIE,L.J.MARNETT              
REVDAT   3   14-MAY-14 4M10    1       JRNL                                     
REVDAT   2   12-FEB-14 4M10    1       JRNL                                     
REVDAT   1   22-JAN-14 4M10    0                                                
JRNL        AUTH   S.XU,D.J.HERMANSON,S.BANERJEE,K.GHEBRESELASIE,G.M.CLAYTON,   
JRNL        AUTH 2 R.M.GARAVITO,L.J.MARNETT                                     
JRNL        TITL   OXICAMS BIND IN A NOVEL MODE TO THE CYCLOOXYGENASE ACTIVE    
JRNL        TITL 2 SITE VIA A TWO-WATER-MEDIATED H-BONDING NETWORK.             
JRNL        REF    J.BIOL.CHEM.                  V. 289  6799 2014              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   24425867                                                     
JRNL        DOI    10.1074/JBC.M113.517987                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.01 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.2_1309)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT 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) : 2.01                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 49.27                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 195768                         
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.190                           
REMARK   3   R VALUE            (WORKING SET) : 0.189                           
REMARK   3   FREE R VALUE                     : 0.220                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 9793                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 49.2881 -  6.2394    0.98     6531   343  0.1815 0.2030        
REMARK   3     2  6.2394 -  4.9539    1.00     6403   335  0.1675 0.1794        
REMARK   3     3  4.9539 -  4.3281    0.99     6302   332  0.1506 0.1708        
REMARK   3     4  4.3281 -  3.9325    1.00     6320   332  0.1533 0.1747        
REMARK   3     5  3.9325 -  3.6508    1.00     6306   332  0.1623 0.1804        
REMARK   3     6  3.6508 -  3.4356    1.00     6280   331  0.1725 0.1860        
REMARK   3     7  3.4356 -  3.2636    0.99     6229   328  0.1881 0.2222        
REMARK   3     8  3.2636 -  3.1215    0.99     6220   328  0.1966 0.2188        
REMARK   3     9  3.1215 -  3.0014    1.00     6258   330  0.1955 0.2231        
REMARK   3    10  3.0014 -  2.8978    1.00     6242   330  0.1924 0.2257        
REMARK   3    11  2.8978 -  2.8072    0.99     6202   326  0.1979 0.2553        
REMARK   3    12  2.8072 -  2.7270    1.00     6206   324  0.1910 0.2292        
REMARK   3    13  2.7270 -  2.6552    0.99     6213   327  0.1887 0.2372        
REMARK   3    14  2.6552 -  2.5904    1.00     6203   325  0.1841 0.2278        
REMARK   3    15  2.5904 -  2.5315    0.99     6183   324  0.1915 0.2483        
REMARK   3    16  2.5315 -  2.4777    0.99     6162   326  0.1876 0.2187        
REMARK   3    17  2.4777 -  2.4281    0.99     6184   325  0.1906 0.2393        
REMARK   3    18  2.4281 -  2.3823    0.99     6168   325  0.1924 0.2562        
REMARK   3    19  2.3823 -  2.3397    0.99     6173   326  0.2012 0.2501        
REMARK   3    20  2.3397 -  2.3001    0.99     6137   325  0.2032 0.2660        
REMARK   3    21  2.3001 -  2.2630    0.99     6155   326  0.2188 0.2780        
REMARK   3    22  2.2630 -  2.2282    0.98     6088   323  0.2411 0.2859        
REMARK   3    23  2.2282 -  2.1954    0.98     6093   321  0.2388 0.2669        
REMARK   3    24  2.1954 -  2.1645    0.99     6106   321  0.2269 0.2805        
REMARK   3    25  2.1645 -  2.1352    0.99     6112   326  0.2319 0.2885        
REMARK   3    26  2.1352 -  2.1075    0.99     6156   322  0.2349 0.2730        
REMARK   3    27  2.1075 -  2.0811    0.98     6043   319  0.2478 0.2916        
REMARK   3    28  2.0811 -  2.0561    0.98     6134   323  0.2509 0.2843        
REMARK   3    29  2.0561 -  2.0322    0.99     6087   317  0.2584 0.2970        
REMARK   3    30  2.0322 -  2.0100    0.98     6079   321  0.2733 0.2961        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.190            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.580           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 26.08                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  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      :  0.011          19051                                  
REMARK   3   ANGLE     :  1.222          25852                                  
REMARK   3   CHIRALITY :  0.084           2737                                  
REMARK   3   PLANARITY :  0.006           3298                                  
REMARK   3   DIHEDRAL  : 15.090           7000                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 80                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 33:45)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 116.3562  61.5748  36.7025              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5260 T22:   0.1804                                     
REMARK   3      T33:   0.2617 T12:   0.1003                                     
REMARK   3      T13:   0.1037 T23:   0.0484                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.2519 L22:   1.6961                                     
REMARK   3      L33:   2.5893 L12:   0.1078                                     
REMARK   3      L13:   1.4601 L23:   1.1777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2973 S12:   0.2683 S13:   0.5273                       
REMARK   3      S21:   0.0747 S22:  -0.0643 S23:   0.0985                       
REMARK   3      S31:  -0.3625 S32:  -0.2758 S33:  -0.2157                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 46:56)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 110.2455  65.1047  42.4978              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6050 T22:   0.3122                                     
REMARK   3      T33:   0.4547 T12:   0.2034                                     
REMARK   3      T13:   0.0775 T23:   0.0613                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0595 L22:   3.9437                                     
REMARK   3      L33:   2.2940 L12:   0.9787                                     
REMARK   3      L13:  -3.4084 L23:  -0.7248                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4804 S12:   0.3939 S13:   0.8101                       
REMARK   3      S21:  -0.6883 S22:  -0.1281 S23:   0.1526                       
REMARK   3      S31:  -0.3740 S32:  -0.1735 S33:  -0.2489                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 57:74)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 125.8055  69.3206  41.3480              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5977 T22:   0.1653                                     
REMARK   3      T33:   0.4299 T12:   0.0039                                     
REMARK   3      T13:   0.1530 T23:   0.0203                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2824 L22:   3.1642                                     
REMARK   3      L33:   4.1769 L12:   1.8736                                     
REMARK   3      L13:  -1.5532 L23:  -3.1950                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3689 S12:   0.0028 S13:   0.5178                       
REMARK   3      S21:  -0.3588 S22:  -0.1793 S23:  -0.3663                       
REMARK   3      S31:  -0.7623 S32:  -0.0710 S33:  -0.2022                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 75:89)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 139.1764  64.6631  32.8780              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6266 T22:   0.3756                                     
REMARK   3      T33:   0.7233 T12:  -0.1294                                     
REMARK   3      T13:   0.2982 T23:  -0.0084                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8622 L22:   4.2734                                     
REMARK   3      L33:   3.7476 L12:  -1.9176                                     
REMARK   3      L13:  -1.8017 L23:   3.9951                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5662 S12:  -0.1292 S13:   0.9108                       
REMARK   3      S21:  -1.0311 S22:   0.5260 S23:  -1.2670                       
REMARK   3      S31:  -0.9886 S32:  -0.0297 S33:  -0.9836                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 90:114)                             
REMARK   3    ORIGIN FOR THE GROUP (A): 153.4930  49.5487  32.0569              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2949 T22:   0.4151                                     
REMARK   3      T33:   0.4382 T12:  -0.1722                                     
REMARK   3      T13:   0.0885 T23:  -0.0179                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5219 L22:   2.2997                                     
REMARK   3      L33:   3.3039 L12:  -1.0669                                     
REMARK   3      L13:  -0.1955 L23:  -1.5289                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3668 S12:   0.0799 S13:   0.2948                       
REMARK   3      S21:   0.0999 S22:  -0.2995 S23:  -0.1009                       
REMARK   3      S31:   0.0702 S32:   0.7165 S33:  -0.0449                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 115:123)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 139.9528  52.9708  39.7286              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5382 T22:   0.2887                                     
REMARK   3      T33:   0.4777 T12:  -0.1317                                     
REMARK   3      T13:   0.0723 T23:  -0.0537                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.0500 L22:   0.8139                                     
REMARK   3      L33:   0.6998 L12:  -2.5204                                     
REMARK   3      L13:   0.8524 L23:   0.0370                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1387 S12:  -0.2099 S13:   1.8917                       
REMARK   3      S21:   0.0477 S22:   0.2397 S23:  -0.1149                       
REMARK   3      S31:  -0.7163 S32:   0.3826 S33:   0.0168                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 124:156)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 118.5836  47.3058  45.0457              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2205 T22:   0.1432                                     
REMARK   3      T33:   0.1639 T12:   0.0613                                     
REMARK   3      T13:   0.0089 T23:   0.0007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0674 L22:   0.8670                                     
REMARK   3      L33:   2.4847 L12:   0.1600                                     
REMARK   3      L13:  -0.2357 L23:  -0.2237                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1711 S12:   0.0289 S13:   0.1895                       
REMARK   3      S21:  -0.0339 S22:  -0.1141 S23:  -0.0167                       
REMARK   3      S31:  -0.3418 S32:  -0.2304 S33:  -0.0851                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 157:183)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 112.0415  48.1738  21.9766              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3636 T22:   0.4642                                     
REMARK   3      T33:   0.3138 T12:   0.1937                                     
REMARK   3      T13:  -0.0201 T23:   0.0132                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5408 L22:   4.2451                                     
REMARK   3      L33:   2.7680 L12:  -2.0022                                     
REMARK   3      L13:  -1.4515 L23:   3.2364                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2173 S12:   0.4988 S13:   0.0524                       
REMARK   3      S21:  -0.1702 S22:  -0.5499 S23:   0.3777                       
REMARK   3      S31:  -0.3170 S32:  -0.7185 S33:   0.2650                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 184:193)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 134.1923  36.2297  13.9932              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3283 T22:   0.3486                                     
REMARK   3      T33:   0.1840 T12:   0.1097                                     
REMARK   3      T13:   0.0609 T23:   0.0263                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9535 L22:   2.3869                                     
REMARK   3      L33:   0.5754 L12:   0.0471                                     
REMARK   3      L13:  -0.6342 L23:  -0.0491                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2254 S12:   0.5706 S13:   0.0240                       
REMARK   3      S21:  -0.4963 S22:  -0.1851 S23:  -0.0875                       
REMARK   3      S31:  -0.3281 S32:  -0.0303 S33:  -0.0758                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 194:239)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 127.9932  30.6234  38.7275              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1773 T22:   0.1832                                     
REMARK   3      T33:   0.2035 T12:   0.0030                                     
REMARK   3      T13:  -0.0036 T23:  -0.0124                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6747 L22:   1.4015                                     
REMARK   3      L33:   1.1799 L12:  -1.3548                                     
REMARK   3      L13:   0.3066 L23:   0.3553                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0320 S12:   0.0708 S13:  -0.2400                       
REMARK   3      S21:  -0.0248 S22:  -0.0099 S23:   0.1718                       
REMARK   3      S31:  -0.0236 S32:  -0.1362 S33:   0.0427                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 240:266)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 134.7976  12.9427  44.5459              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2479 T22:   0.1306                                     
REMARK   3      T33:   0.3061 T12:   0.0400                                     
REMARK   3      T13:   0.0189 T23:   0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8563 L22:   2.5949                                     
REMARK   3      L33:   3.1607 L12:   0.0995                                     
REMARK   3      L13:  -0.1738 L23:   0.8797                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0353 S12:   0.0713 S13:  -0.4403                       
REMARK   3      S21:   0.0332 S22:  -0.0964 S23:  -0.0181                       
REMARK   3      S31:   0.3985 S32:   0.1626 S33:   0.0525                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 267:278)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 122.2651  13.3669  37.5836              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2024 T22:   0.2109                                     
REMARK   3      T33:   0.4096 T12:  -0.0082                                     
REMARK   3      T13:  -0.0180 T23:  -0.0922                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9265 L22:   6.7741                                     
REMARK   3      L33:   5.8912 L12:   1.7296                                     
REMARK   3      L13:   2.0942 L23:  -2.0490                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1084 S12:   0.1211 S13:  -0.6990                       
REMARK   3      S21:  -0.1933 S22:   0.0532 S23:   0.5142                       
REMARK   3      S31:   0.4526 S32:  -0.3664 S33:   0.0171                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 279:292)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 126.2286  15.2586  35.3565              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3601 T22:   0.2397                                     
REMARK   3      T33:   0.2813 T12:   0.0221                                     
REMARK   3      T13:  -0.0050 T23:  -0.0247                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0317 L22:   5.2189                                     
REMARK   3      L33:   7.5809 L12:   1.9743                                     
REMARK   3      L13:   3.1388 L23:   2.9831                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2881 S12:   0.4941 S13:  -0.5079                       
REMARK   3      S21:  -0.2750 S22:  -0.3670 S23:   0.3802                       
REMARK   3      S31:   0.9493 S32:  -0.1914 S33:   0.1679                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 293:352)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 142.1738  24.6562  43.7979              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1354 T22:   0.1927                                     
REMARK   3      T33:   0.1919 T12:   0.0360                                     
REMARK   3      T13:   0.0212 T23:  -0.0076                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8890 L22:   1.0799                                     
REMARK   3      L33:   2.5637 L12:  -0.1291                                     
REMARK   3      L13:  -0.0686 L23:  -0.1979                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0262 S12:  -0.0319 S13:  -0.0948                       
REMARK   3      S21:   0.0533 S22:  -0.0471 S23:  -0.0998                       
REMARK   3      S31:   0.1741 S32:   0.3094 S33:   0.0240                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 353:366)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 148.1158  44.1460  38.1687              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1943 T22:   0.3161                                     
REMARK   3      T33:   0.2812 T12:   0.0036                                     
REMARK   3      T13:   0.0669 T23:  -0.0220                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7356 L22:   1.9259                                     
REMARK   3      L33:   8.5982 L12:   0.8867                                     
REMARK   3      L13:  -2.5038 L23:  -1.4202                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2011 S12:  -0.3163 S13:   0.1857                       
REMARK   3      S21:  -0.1681 S22:   0.0771 S23:  -0.1504                       
REMARK   3      S31:  -0.0408 S32:   1.2801 S33:  -0.2262                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 367:391)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 131.7720  42.4577  38.5913              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2050 T22:   0.1407                                     
REMARK   3      T33:   0.2182 T12:   0.0179                                     
REMARK   3      T13:   0.0247 T23:   0.0255                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4716 L22:   0.4317                                     
REMARK   3      L33:   3.1425 L12:  -0.8049                                     
REMARK   3      L13:  -0.7008 L23:   0.6907                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0505 S12:   0.0627 S13:   0.1561                       
REMARK   3      S21:  -0.1027 S22:  -0.0585 S23:  -0.1744                       
REMARK   3      S31:  -0.1534 S32:  -0.0167 S33:  -0.0105                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 392:429)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 135.1474  18.5034  21.3382              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2624 T22:   0.2730                                     
REMARK   3      T33:   0.2581 T12:   0.0869                                     
REMARK   3      T13:  -0.0088 T23:  -0.0863                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1380 L22:   4.0945                                     
REMARK   3      L33:   1.9756 L12:   0.5031                                     
REMARK   3      L13:   1.5186 L23:  -0.9378                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1736 S12:   0.5134 S13:  -0.3279                       
REMARK   3      S21:  -0.5535 S22:  -0.1201 S23:  -0.0172                       
REMARK   3      S31:   0.2233 S32:   0.1145 S33:  -0.0596                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 430:511)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 123.0889  47.7735  21.5782              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3728 T22:   0.3027                                     
REMARK   3      T33:   0.2134 T12:   0.1285                                     
REMARK   3      T13:   0.0249 T23:   0.0600                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1535 L22:   0.8294                                     
REMARK   3      L33:   1.5858 L12:  -0.0858                                     
REMARK   3      L13:  -0.1268 L23:   0.0768                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1549 S12:   0.3486 S13:   0.1836                       
REMARK   3      S21:  -0.2986 S22:  -0.0732 S23:  -0.0043                       
REMARK   3      S31:  -0.3848 S32:  -0.2393 S33:  -0.0726                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 512:578)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 143.3187  35.5786  39.3565              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1489 T22:   0.2061                                     
REMARK   3      T33:   0.2009 T12:  -0.0176                                     
REMARK   3      T13:   0.0291 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3410 L22:   0.3880                                     
REMARK   3      L33:   1.3796 L12:  -0.2903                                     
REMARK   3      L13:  -0.1907 L23:   0.5640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0564 S12:  -0.0279 S13:   0.0701                       
REMARK   3      S21:  -0.0387 S22:   0.0328 S23:  -0.1388                       
REMARK   3      S31:  -0.0772 S32:   0.2860 S33:  -0.0589                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 579:583)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 146.4124  31.4101  23.3939              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2036 T22:   0.3314                                     
REMARK   3      T33:   0.1829 T12:   0.0627                                     
REMARK   3      T13:  -0.0117 T23:   0.0539                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3040 L22:   2.5371                                     
REMARK   3      L33:   9.6388 L12:  -0.1402                                     
REMARK   3      L13:  -4.6417 L23:   0.6129                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0233 S12:   0.1131 S13:   0.1007                       
REMARK   3      S21:  -0.3092 S22:  -0.3089 S23:  -0.0596                       
REMARK   3      S31:  -0.0563 S32:   1.8043 S33:   0.2201                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 33:52)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 149.4417  28.4364  68.0519              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3024 T22:   0.6152                                     
REMARK   3      T33:   0.2724 T12:   0.1043                                     
REMARK   3      T13:  -0.0174 T23:  -0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8081 L22:   2.2285                                     
REMARK   3      L33:   3.1737 L12:  -0.5130                                     
REMARK   3      L13:  -0.3476 L23:   0.5290                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0475 S12:  -0.4347 S13:  -0.0187                       
REMARK   3      S21:   0.0847 S22:   0.0485 S23:  -0.0923                       
REMARK   3      S31:   0.4106 S32:   0.3301 S33:  -0.1103                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 53:70)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 154.9899  34.5953  65.6088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2019 T22:   0.7735                                     
REMARK   3      T33:   0.3409 T12:   0.0389                                     
REMARK   3      T13:  -0.0349 T23:  -0.1281                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0800 L22:   2.6847                                     
REMARK   3      L33:   3.0680 L12:   2.3606                                     
REMARK   3      L13:   0.2306 L23:   0.1740                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1303 S12:  -0.2621 S13:  -0.0826                       
REMARK   3      S21:   0.1416 S22:   0.1300 S23:  -0.5874                       
REMARK   3      S31:   0.2686 S32:   0.9057 S33:  -0.0235                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 71:81)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 158.1579  49.6307  68.8380              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5150 T22:   0.9144                                     
REMARK   3      T33:   0.7109 T12:  -0.2434                                     
REMARK   3      T13:  -0.0428 T23:  -0.2264                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9208 L22:   3.5159                                     
REMARK   3      L33:   3.9361 L12:  -3.4057                                     
REMARK   3      L13:   0.8913 L23:   0.6648                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1419 S12:  -0.7053 S13:   1.6062                       
REMARK   3      S21:   0.4607 S22:  -0.0370 S23:  -1.1764                       
REMARK   3      S31:  -0.7803 S32:   0.9499 S33:   0.2200                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 82:92)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 144.0246  56.6394  79.7785              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3057 T22:   0.5052                                     
REMARK   3      T33:   0.7655 T12:  -0.0933                                     
REMARK   3      T13:   0.0214 T23:  -0.1520                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5710 L22:   6.5890                                     
REMARK   3      L33:   2.3706 L12:   0.2491                                     
REMARK   3      L13:   2.7797 L23:  -0.9598                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5284 S12:  -0.9290 S13:   0.3679                       
REMARK   3      S21:  -0.5576 S22:   0.2412 S23:  -1.1211                       
REMARK   3      S31:   0.1733 S32:   0.2393 S33:  -0.4844                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 93:110)                             
REMARK   3    ORIGIN FOR THE GROUP (A): 134.7724  69.3801  75.3783              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4633 T22:   0.3454                                     
REMARK   3      T33:   0.4730 T12:  -0.1539                                     
REMARK   3      T13:   0.0274 T23:  -0.1413                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1773 L22:   3.0195                                     
REMARK   3      L33:   7.9344 L12:  -0.9454                                     
REMARK   3      L13:   3.1181 L23:  -0.2653                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4172 S12:  -0.0142 S13:   0.1133                       
REMARK   3      S21:  -0.0233 S22:   0.1838 S23:  -0.2831                       
REMARK   3      S31:  -1.4277 S32:   0.3633 S33:   0.1984                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 111:122)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 138.4543  57.6548  66.9495              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3196 T22:   0.5267                                     
REMARK   3      T33:   0.4322 T12:  -0.1978                                     
REMARK   3      T13:   0.0503 T23:  -0.1378                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1062 L22:   7.5515                                     
REMARK   3      L33:   1.8496 L12:  -0.9104                                     
REMARK   3      L13:   0.3597 L23:  -2.2759                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1445 S12:  -0.2253 S13:   0.1486                       
REMARK   3      S21:  -0.3097 S22:  -0.1495 S23:  -1.4516                       
REMARK   3      S31:   0.0952 S32:   0.9472 S33:   0.0800                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 123:160)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 135.2537  31.3346  63.6573              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1588 T22:   0.2194                                     
REMARK   3      T33:   0.1472 T12:   0.0389                                     
REMARK   3      T13:   0.0171 T23:  -0.0079                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1237 L22:   1.0088                                     
REMARK   3      L33:   3.8509 L12:   0.3487                                     
REMARK   3      L13:   1.1391 L23:   0.6551                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1086 S12:  -0.3188 S13:  -0.0357                       
REMARK   3      S21:   0.0576 S22:   0.1025 S23:  -0.1077                       
REMARK   3      S31:   0.1679 S32:   0.4343 S33:   0.0131                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 161:186)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 132.6905  29.2496  89.0552              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3784 T22:   0.5241                                     
REMARK   3      T33:   0.1801 T12:   0.1528                                     
REMARK   3      T13:  -0.0335 T23:   0.0457                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9888 L22:   2.9250                                     
REMARK   3      L33:   2.3164 L12:  -2.7182                                     
REMARK   3      L13:  -2.8583 L23:   1.5370                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1268 S12:  -0.2513 S13:  -0.3048                       
REMARK   3      S21:   0.4606 S22:  -0.0744 S23:   0.0785                       
REMARK   3      S31:   0.6260 S32:   0.3151 S33:   0.1453                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 187:212)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 119.2381  47.6569  79.1308              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1785 T22:   0.2620                                     
REMARK   3      T33:   0.1589 T12:  -0.0014                                     
REMARK   3      T13:   0.0005 T23:  -0.0297                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2494 L22:   1.1455                                     
REMARK   3      L33:   1.8573 L12:  -0.8385                                     
REMARK   3      L13:  -0.3281 L23:   0.9959                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0586 S12:  -0.2696 S13:   0.0301                       
REMARK   3      S21:   0.1581 S22:   0.0580 S23:  -0.0699                       
REMARK   3      S31:  -0.0556 S32:   0.1208 S33:  -0.0238                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 213:222)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 120.6625  28.9893  67.2786              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2735 T22:   0.2161                                     
REMARK   3      T33:   0.2500 T12:   0.0218                                     
REMARK   3      T13:   0.0606 T23:   0.0327                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3030 L22:   3.9267                                     
REMARK   3      L33:   7.4950 L12:  -3.8533                                     
REMARK   3      L13:   1.9292 L23:  -3.5308                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1686 S12:  -0.2755 S13:  -0.6259                       
REMARK   3      S21:   0.1468 S22:   0.1180 S23:   1.1901                       
REMARK   3      S31:   0.1742 S32:  -0.5033 S33:   0.0065                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 223:267)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 104.7873  45.3900  62.5597              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1760 T22:   0.1908                                     
REMARK   3      T33:   0.1834 T12:   0.0053                                     
REMARK   3      T13:  -0.0022 T23:  -0.0271                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5450 L22:   0.8367                                     
REMARK   3      L33:   2.3906 L12:  -0.7504                                     
REMARK   3      L13:  -1.3576 L23:   0.3882                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0938 S12:   0.0336 S13:  -0.0902                       
REMARK   3      S21:  -0.0863 S22:  -0.1241 S23:   0.1276                       
REMARK   3      S31:  -0.0075 S32:  -0.2864 S33:   0.0298                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 268:278)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 101.1803  34.9086  70.2589              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1567 T22:   0.2607                                     
REMARK   3      T33:   0.3358 T12:   0.0112                                     
REMARK   3      T13:   0.0124 T23:   0.0719                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3623 L22:   7.4580                                     
REMARK   3      L33:   6.9741 L12:   0.4268                                     
REMARK   3      L13:   0.8407 L23:  -4.7497                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1243 S12:  -0.0087 S13:  -0.7419                       
REMARK   3      S21:   0.0176 S22:   0.6080 S23:   0.4591                       
REMARK   3      S31:   0.0187 S32:  -0.7376 S33:  -0.4013                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 279:364)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 112.3792  53.5537  66.0553              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2007 T22:   0.1609                                     
REMARK   3      T33:   0.1971 T12:   0.0319                                     
REMARK   3      T13:   0.0140 T23:  -0.0424                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3237 L22:   0.5256                                     
REMARK   3      L33:   1.5942 L12:  -0.0012                                     
REMARK   3      L13:   0.0189 L23:   0.1056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0214 S12:  -0.1487 S13:   0.1509                       
REMARK   3      S21:  -0.0106 S22:   0.0014 S23:   0.0101                       
REMARK   3      S31:  -0.2832 S32:  -0.0952 S33:   0.0035                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 365:394)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 128.1029  46.1269  70.1986              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1572 T22:   0.2695                                     
REMARK   3      T33:   0.1951 T12:  -0.0218                                     
REMARK   3      T13:  -0.0244 T23:  -0.0490                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8163 L22:   0.8624                                     
REMARK   3      L33:   1.6707 L12:  -0.6720                                     
REMARK   3      L13:  -0.2774 L23:   0.5848                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0500 S12:  -0.2680 S13:   0.0552                       
REMARK   3      S21:   0.0846 S22:   0.0243 S23:  -0.1356                       
REMARK   3      S31:  -0.0991 S32:   0.2233 S33:   0.0097                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 395:407)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 105.5021  45.6332  90.1123              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4351 T22:   0.5073                                     
REMARK   3      T33:   0.3118 T12:   0.0968                                     
REMARK   3      T13:   0.0369 T23:   0.0486                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1241 L22:   6.4898                                     
REMARK   3      L33:   2.0775 L12:   1.6491                                     
REMARK   3      L13:   0.0063 L23:   0.4783                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0237 S12:  -0.7254 S13:   0.1415                       
REMARK   3      S21:   1.0183 S22:   0.2557 S23:   0.6373                       
REMARK   3      S31:   0.1789 S32:  -0.4608 S33:  -0.2870                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 408:430)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 104.8785  50.4812  83.5413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2667 T22:   0.4035                                     
REMARK   3      T33:   0.2274 T12:   0.0543                                     
REMARK   3      T13:   0.0403 T23:  -0.0662                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1270 L22:   1.7653                                     
REMARK   3      L33:   2.1719 L12:   0.5378                                     
REMARK   3      L13:   1.9754 L23:  -1.2203                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1755 S12:  -0.5715 S13:   0.0247                       
REMARK   3      S21:   0.1056 S22:   0.2572 S23:   0.0550                       
REMARK   3      S31:  -0.1167 S32:  -0.3878 S33:  -0.0607                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 431:482)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 133.8685  37.1691  83.3225              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2187 T22:   0.4132                                     
REMARK   3      T33:   0.1967 T12:   0.0521                                     
REMARK   3      T13:  -0.0449 T23:  -0.0229                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6696 L22:   0.5572                                     
REMARK   3      L33:   1.7072 L12:  -0.3200                                     
REMARK   3      L13:  -0.2962 L23:   0.4560                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0174 S12:  -0.3350 S13:   0.0086                       
REMARK   3      S21:   0.1876 S22:   0.1240 S23:  -0.0998                       
REMARK   3      S31:   0.0481 S32:   0.3572 S33:  -0.0970                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 483:493)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 137.9279  36.8379  96.8067              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3310 T22:   0.8217                                     
REMARK   3      T33:   0.2939 T12:   0.1271                                     
REMARK   3      T13:  -0.0758 T23:  -0.0289                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5190 L22:   7.1883                                     
REMARK   3      L33:   3.8744 L12:  -1.3943                                     
REMARK   3      L13:  -0.3848 L23:  -1.5168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2161 S12:  -0.4844 S13:   0.0501                       
REMARK   3      S21:   0.9751 S22:   0.4559 S23:  -0.4770                       
REMARK   3      S31:   0.0260 S32:   0.1892 S33:  -0.2013                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 494:578)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 125.3666  51.9525  72.1259              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2147 T22:   0.2332                                     
REMARK   3      T33:   0.2132 T12:  -0.0339                                     
REMARK   3      T13:   0.0148 T23:  -0.0883                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8025 L22:   0.7835                                     
REMARK   3      L33:   1.2765 L12:  -0.3096                                     
REMARK   3      L13:  -0.0584 L23:  -0.2200                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0186 S12:  -0.2517 S13:   0.1939                       
REMARK   3      S21:   0.1080 S22:   0.0487 S23:  -0.1119                       
REMARK   3      S31:  -0.1992 S32:   0.1453 S33:  -0.0271                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 579:583)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 118.5406  59.7019  83.9227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3937 T22:   0.4449                                     
REMARK   3      T33:   0.3818 T12:  -0.0263                                     
REMARK   3      T13:   0.0386 T23:  -0.1433                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.4132 L22:   9.2162                                     
REMARK   3      L33:   4.5989 L12:  -2.0353                                     
REMARK   3      L13:   1.9876 L23:  -5.9916                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2317 S12:  -0.5210 S13:   1.3520                       
REMARK   3      S21:   0.9792 S22:   0.5138 S23:  -0.3704                       
REMARK   3      S31:  -1.9712 S32:   1.0101 S33:  -0.7104                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 33:45)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  87.3619  36.9405  25.3909              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2483 T22:   0.4296                                     
REMARK   3      T33:   0.2240 T12:  -0.0822                                     
REMARK   3      T13:   0.0381 T23:  -0.0047                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8065 L22:   8.3217                                     
REMARK   3      L33:   2.6578 L12:  -0.9985                                     
REMARK   3      L13:   1.0955 L23:  -1.0561                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0129 S12:   0.1911 S13:   0.1711                       
REMARK   3      S21:  -0.3458 S22:  -0.0347 S23:  -0.3309                       
REMARK   3      S31:  -0.3736 S32:   0.3610 S33:   0.0363                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 46:56)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  90.9037  43.0176  31.2082              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2688 T22:   0.4165                                     
REMARK   3      T33:   0.2570 T12:  -0.1506                                     
REMARK   3      T13:   0.0462 T23:  -0.0062                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9042 L22:   7.6819                                     
REMARK   3      L33:   3.8014 L12:  -3.7371                                     
REMARK   3      L13:  -0.1334 L23:   4.2985                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0739 S12:   0.2321 S13:   0.0675                       
REMARK   3      S21:  -0.4564 S22:   0.2195 S23:  -0.7658                       
REMARK   3      S31:  -0.3484 S32:   0.3961 S33:  -0.0979                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 57:73)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  94.4592  28.2953  30.1416              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1864 T22:   0.4806                                     
REMARK   3      T33:   0.2530 T12:   0.0242                                     
REMARK   3      T13:   0.0279 T23:  -0.0586                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5041 L22:   1.4165                                     
REMARK   3      L33:   4.5431 L12:  -0.1573                                     
REMARK   3      L13:  -2.5370 L23:   1.3243                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0470 S12:   0.2816 S13:  -0.2170                       
REMARK   3      S21:  -0.3003 S22:   0.1845 S23:  -0.2931                       
REMARK   3      S31:   0.2031 S32:   0.9144 S33:  -0.2219                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 74:83)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  95.1360  15.1701  25.3831              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4885 T22:   0.5890                                     
REMARK   3      T33:   0.6936 T12:   0.2063                                     
REMARK   3      T13:   0.0295 T23:  -0.0991                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.3836 L22:   5.1418                                     
REMARK   3      L33:   6.8817 L12:   0.9855                                     
REMARK   3      L13:   3.3220 L23:   2.0570                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3517 S12:   1.1886 S13:  -0.6940                       
REMARK   3      S21:   0.0558 S22:   0.0184 S23:  -1.0394                       
REMARK   3      S31:   1.1488 S32:   0.5609 S33:  -0.3711                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 84:89)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  82.7434  12.4760  15.8289              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3122 T22:   0.4190                                     
REMARK   3      T33:   0.6806 T12:   0.0891                                     
REMARK   3      T13:   0.0310 T23:  -0.1043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8186 L22:   4.8343                                     
REMARK   3      L33:   1.4175 L12:  -1.0824                                     
REMARK   3      L13:   0.6672 L23:   2.2229                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7163 S12:   0.7336 S13:  -0.9175                       
REMARK   3      S21:  -0.2481 S22:  -0.0689 S23:  -1.0840                       
REMARK   3      S31:   0.2276 S32:   0.7427 S33:  -0.6210                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 90:114)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  74.5027   0.0941  20.6475              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2516 T22:   0.2442                                     
REMARK   3      T33:   0.3791 T12:   0.0809                                     
REMARK   3      T13:   0.0422 T23:  -0.0336                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6700 L22:   2.4941                                     
REMARK   3      L33:   5.1812 L12:   0.5260                                     
REMARK   3      L13:  -2.3229 L23:   0.2860                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2586 S12:   0.1394 S13:  -0.0989                       
REMARK   3      S21:  -0.0378 S22:   0.0639 S23:  -0.1737                       
REMARK   3      S31:   0.6553 S32:  -0.1804 S33:   0.2099                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 115:122)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  78.1245  12.5779  28.4100              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3957 T22:   0.4956                                     
REMARK   3      T33:   0.5169 T12:   0.0388                                     
REMARK   3      T13:  -0.0456 T23:   0.0025                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8149 L22:   3.4312                                     
REMARK   3      L33:   4.5337 L12:   3.3987                                     
REMARK   3      L13:   2.2186 L23:   1.2878                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0878 S12:  -0.5330 S13:  -0.2016                       
REMARK   3      S21:   0.2587 S22:   0.4305 S23:  -1.4099                       
REMARK   3      S31:   0.1846 S32:   0.6902 S33:  -0.3418                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 123:156)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  73.1097  34.6584  33.4998              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1290 T22:   0.1235                                     
REMARK   3      T33:   0.1219 T12:  -0.0280                                     
REMARK   3      T13:  -0.0059 T23:   0.0043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1445 L22:   1.2912                                     
REMARK   3      L33:   3.0372 L12:   0.7753                                     
REMARK   3      L13:  -0.1026 L23:  -0.5265                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0506 S12:   0.0984 S13:  -0.0659                       
REMARK   3      S21:   0.0573 S22:   0.0199 S23:  -0.1223                       
REMARK   3      S31:  -0.0844 S32:   0.2725 S33:   0.0367                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 157:174)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  78.3896  44.5327  14.7577              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3517 T22:   0.3552                                     
REMARK   3      T33:   0.2964 T12:  -0.1160                                     
REMARK   3      T13:  -0.0197 T23:   0.0714                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1825 L22:   2.0176                                     
REMARK   3      L33:   3.2170 L12:   3.3947                                     
REMARK   3      L13:   3.6689 L23:   1.6294                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5213 S12:   0.5827 S13:   0.5763                       
REMARK   3      S21:  -0.3179 S22:   0.1453 S23:   0.0252                       
REMARK   3      S31:  -0.5477 S32:   0.4766 S33:   0.4206                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 175:214)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  59.8882  24.7280  12.7657              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1393 T22:   0.2126                                     
REMARK   3      T33:   0.1650 T12:   0.0049                                     
REMARK   3      T13:  -0.0265 T23:   0.0137                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9688 L22:   1.3596                                     
REMARK   3      L33:   1.5340 L12:   0.7021                                     
REMARK   3      L13:  -0.0723 L23:  -0.1361                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0967 S12:   0.1685 S13:   0.0675                       
REMARK   3      S21:  -0.1399 S22:   0.0433 S23:   0.0843                       
REMARK   3      S31:  -0.0709 S32:   0.0182 S33:   0.0511                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 215:228)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  60.1120  33.7197  31.2592              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1286 T22:   0.1901                                     
REMARK   3      T33:   0.2047 T12:   0.0116                                     
REMARK   3      T13:   0.0105 T23:   0.0104                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7354 L22:   7.6033                                     
REMARK   3      L33:   5.7221 L12:   3.2764                                     
REMARK   3      L13:  -0.9353 L23:  -2.4657                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0658 S12:   0.0180 S13:   0.5265                       
REMARK   3      S21:   0.3877 S22:  -0.0721 S23:   0.4892                       
REMARK   3      S31:  -0.4399 S32:  -0.3574 S33:   0.0361                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 229:271)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  41.1125  21.7877  33.3976              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1526 T22:   0.1566                                     
REMARK   3      T33:   0.1978 T12:   0.0140                                     
REMARK   3      T13:   0.0185 T23:  -0.0228                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8742 L22:   1.0040                                     
REMARK   3      L33:   3.1686 L12:   0.0908                                     
REMARK   3      L13:   1.2781 L23:   0.6177                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0967 S12:  -0.0008 S13:   0.1655                       
REMARK   3      S21:  -0.0383 S22:  -0.0632 S23:   0.0932                       
REMARK   3      S31:  -0.0941 S32:  -0.3253 S33:   0.1558                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 272:289)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  39.5393  30.3777  23.0594              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2191 T22:   0.2142                                     
REMARK   3      T33:   0.2603 T12:   0.0306                                     
REMARK   3      T13:  -0.0346 T23:   0.0082                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3946 L22:   4.7289                                     
REMARK   3      L33:   5.9862 L12:  -1.6189                                     
REMARK   3      L13:   3.6268 L23:  -2.9899                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1471 S12:  -0.0314 S13:   0.5217                       
REMARK   3      S21:  -0.1415 S22:   0.0468 S23:   0.1104                       
REMARK   3      S31:  -0.3927 S32:  -0.3721 S33:   0.0376                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 290:357)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  51.3557  12.3421  30.7006              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1492 T22:   0.1202                                     
REMARK   3      T33:   0.1765 T12:  -0.0306                                     
REMARK   3      T13:  -0.0038 T23:  -0.0412                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9991 L22:   0.5104                                     
REMARK   3      L33:   2.2080 L12:  -0.0599                                     
REMARK   3      L13:  -0.4456 L23:   0.0781                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0051 S12:   0.0456 S13:  -0.0880                       
REMARK   3      S21:   0.0304 S22:  -0.0007 S23:   0.0686                       
REMARK   3      S31:   0.1868 S32:  -0.1278 S33:   0.0392                       
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 358:407)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  60.7567  19.0755  21.1041              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1291 T22:   0.2021                                     
REMARK   3      T33:   0.1535 T12:   0.0126                                     
REMARK   3      T13:   0.0444 T23:  -0.0258                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4494 L22:   0.7691                                     
REMARK   3      L33:   2.5138 L12:   0.1921                                     
REMARK   3      L13:   1.1393 L23:  -0.3365                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0014 S12:   0.2544 S13:  -0.0740                       
REMARK   3      S21:  -0.1516 S22:   0.0263 S23:   0.0220                       
REMARK   3      S31:   0.1269 S32:   0.0035 S33:  -0.0372                       
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 408:430)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  43.5006  16.7380  12.3599              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2034 T22:   0.2578                                     
REMARK   3      T33:   0.2116 T12:  -0.0591                                     
REMARK   3      T13:  -0.0548 T23:  -0.0318                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5983 L22:   2.6184                                     
REMARK   3      L33:   3.1667 L12:  -1.6613                                     
REMARK   3      L13:  -2.2255 L23:  -1.4240                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0993 S12:   0.2882 S13:  -0.0891                       
REMARK   3      S21:  -0.1130 S22:   0.1553 S23:   0.2742                       
REMARK   3      S31:   0.1013 S32:  -0.4118 S33:  -0.0729                       
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 431:482)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  72.3918  30.3366  12.6720              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1739 T22:   0.2726                                     
REMARK   3      T33:   0.1464 T12:  -0.0326                                     
REMARK   3      T13:   0.0211 T23:   0.0356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9871 L22:   0.4849                                     
REMARK   3      L33:   1.4525 L12:   0.1126                                     
REMARK   3      L13:   0.8048 L23:   0.1215                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0211 S12:   0.2340 S13:   0.0533                       
REMARK   3      S21:  -0.0667 S22:   0.0151 S23:  -0.0387                       
REMARK   3      S31:  -0.0581 S32:   0.2513 S33:   0.0077                       
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 483:506)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  76.6128  32.9635   5.2764              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2125 T22:   0.3700                                     
REMARK   3      T33:   0.1584 T12:  -0.0722                                     
REMARK   3      T13:   0.0079 T23:   0.0346                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6756 L22:   3.0565                                     
REMARK   3      L33:   5.7346 L12:  -0.1475                                     
REMARK   3      L13:  -0.0779 L23:  -0.3917                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0620 S12:   0.5267 S13:   0.2423                       
REMARK   3      S21:  -0.3058 S22:   0.0172 S23:  -0.1972                       
REMARK   3      S31:  -0.2597 S32:   0.2461 S33:   0.0459                       
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 507:577)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  61.7497  11.6342  26.5855              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1926 T22:   0.1698                                     
REMARK   3      T33:   0.1877 T12:  -0.0013                                     
REMARK   3      T13:   0.0099 T23:  -0.0466                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4262 L22:   1.0251                                     
REMARK   3      L33:   0.4126 L12:   0.3073                                     
REMARK   3      L13:   0.2322 L23:  -0.1793                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0352 S12:   0.0886 S13:  -0.1190                       
REMARK   3      S21:  -0.0299 S22:   0.0142 S23:  -0.0637                       
REMARK   3      S31:   0.1549 S32:   0.0081 S33:   0.0551                       
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 578:582)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  56.1143   8.2519  13.3808              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2465 T22:   0.2182                                     
REMARK   3      T33:   0.2336 T12:  -0.0324                                     
REMARK   3      T13:   0.0261 T23:  -0.0538                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3114 L22:   4.4202                                     
REMARK   3      L33:   2.9471 L12:   2.0887                                     
REMARK   3      L13:  -0.6643 L23:  -2.0263                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1824 S12:  -0.0667 S13:  -0.0066                       
REMARK   3      S21:  -0.4078 S22:  -0.1156 S23:  -0.0162                       
REMARK   3      S31:   0.9717 S32:   0.1585 S33:   0.2629                       
REMARK   3   TLS GROUP : 61                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 33:52)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  53.3589   4.5787  56.5277              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3886 T22:   0.2099                                     
REMARK   3      T33:   0.2576 T12:  -0.0924                                     
REMARK   3      T13:   0.0091 T23:   0.0206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1134 L22:   1.0340                                     
REMARK   3      L33:   2.4075 L12:  -0.9332                                     
REMARK   3      L13:   1.8973 L23:   0.4225                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0496 S12:  -0.2840 S13:  -0.2126                       
REMARK   3      S21:   0.2186 S22:  -0.0614 S23:   0.0649                       
REMARK   3      S31:   0.3382 S32:  -0.3056 S33:   0.0276                       
REMARK   3   TLS GROUP : 62                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 53:80)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  64.7910  -2.3145  55.0825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4714 T22:   0.1412                                     
REMARK   3      T33:   0.3287 T12:   0.0089                                     
REMARK   3      T13:  -0.0908 T23:   0.0322                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7235 L22:   3.6646                                     
REMARK   3      L33:   4.5549 L12:  -3.0529                                     
REMARK   3      L13:   0.4861 L23:  -0.7600                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0786 S12:  -0.1090 S13:  -0.8000                       
REMARK   3      S21:   0.3329 S22:  -0.0863 S23:  -0.2915                       
REMARK   3      S31:   0.7662 S32:   0.1082 S33:   0.0282                       
REMARK   3   TLS GROUP : 63                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 81:99)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  85.0985  11.3794  69.0529              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2569 T22:   0.2678                                     
REMARK   3      T33:   0.4639 T12:   0.0835                                     
REMARK   3      T13:  -0.0666 T23:   0.0370                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0557 L22:   6.5061                                     
REMARK   3      L33:   4.7139 L12:  -0.6215                                     
REMARK   3      L13:  -0.5605 L23:   0.2267                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4724 S12:   0.0974 S13:  -0.5424                       
REMARK   3      S21:   0.5147 S22:  -0.2350 S23:   0.1796                       
REMARK   3      S31:   0.6784 S32:   0.3823 S33:  -0.2476                       
REMARK   3   TLS GROUP : 64                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 100:114)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  94.4475  18.8108  58.8999              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2069 T22:   0.4744                                     
REMARK   3      T33:   0.3505 T12:   0.1204                                     
REMARK   3      T13:   0.0192 T23:   0.0488                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4431 L22:   4.8209                                     
REMARK   3      L33:   5.1798 L12:  -1.3935                                     
REMARK   3      L13:   0.1240 L23:  -1.7212                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1622 S12:   0.4235 S13:  -0.3468                       
REMARK   3      S21:  -0.3713 S22:  -0.2127 S23:  -0.2490                       
REMARK   3      S31:  -0.0208 S32:   1.2977 S33:   0.0094                       
REMARK   3   TLS GROUP : 65                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 115:122)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  79.7835  14.2229  55.8722              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5535 T22:   0.3128                                     
REMARK   3      T33:   0.4457 T12:   0.1402                                     
REMARK   3      T13:  -0.0295 T23:  -0.0989                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.7510 L22:   3.3324                                     
REMARK   3      L33:   4.2874 L12:   3.7673                                     
REMARK   3      L13:  -2.5072 L23:  -0.0128                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0568 S12:   0.3698 S13:  -1.3610                       
REMARK   3      S21:   0.0078 S22:   0.1835 S23:  -0.6826                       
REMARK   3      S31:   1.1612 S32:   0.0940 S33:  -0.1684                       
REMARK   3   TLS GROUP : 66                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 123:164)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  55.9819  18.2253  53.4420              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1685 T22:   0.1195                                     
REMARK   3      T33:   0.1746 T12:  -0.0461                                     
REMARK   3      T13:  -0.0008 T23:  -0.0123                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6572 L22:   1.8059                                     
REMARK   3      L33:   3.5160 L12:  -0.4367                                     
REMARK   3      L13:   0.2451 L23:  -0.5787                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0082 S12:  -0.0498 S13:  -0.0629                       
REMARK   3      S21:   0.0002 S22:  -0.0665 S23:   0.0847                       
REMARK   3      S31:   0.2415 S32:  -0.2816 S33:   0.0293                       
REMARK   3   TLS GROUP : 67                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 165:186)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  55.0100  22.5755  79.0967              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2831 T22:   0.2757                                     
REMARK   3      T33:   0.1468 T12:  -0.1234                                     
REMARK   3      T13:   0.0413 T23:   0.0191                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4625 L22:   7.2864                                     
REMARK   3      L33:   2.8351 L12:   2.4275                                     
REMARK   3      L13:   0.6660 L23:   2.4831                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0938 S12:  -0.3485 S13:   0.1115                       
REMARK   3      S21:   0.1166 S22:  -0.1435 S23:   0.4408                       
REMARK   3      S31:   0.2263 S32:  -0.3979 S33:   0.1328                       
REMARK   3   TLS GROUP : 68                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 187:212)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  73.1078  34.3975  67.7324              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1315 T22:   0.1379                                     
REMARK   3      T33:   0.1758 T12:  -0.0111                                     
REMARK   3      T13:  -0.0069 T23:  -0.0036                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8320 L22:   1.0194                                     
REMARK   3      L33:   1.4716 L12:   0.5228                                     
REMARK   3      L13:   0.5729 L23:  -0.0220                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0782 S12:  -0.1199 S13:   0.0534                       
REMARK   3      S21:   0.0115 S22:  -0.1142 S23:  -0.0863                       
REMARK   3      S31:   0.0584 S32:   0.1290 S33:   0.0202                       
REMARK   3   TLS GROUP : 69                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 213:228)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  58.2069  32.9078  54.1477              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1476 T22:   0.1347                                     
REMARK   3      T33:   0.2450 T12:  -0.0145                                     
REMARK   3      T13:   0.0010 T23:  -0.0292                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3175 L22:   3.5000                                     
REMARK   3      L33:   6.0404 L12:   1.5110                                     
REMARK   3      L13:  -3.9754 L23:  -0.4168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2089 S12:   0.0279 S13:   0.7714                       
REMARK   3      S21:   0.1358 S22:  -0.0088 S23:   0.3948                       
REMARK   3      S31:  -0.3224 S32:  -0.3507 S33:  -0.1542                       
REMARK   3   TLS GROUP : 70                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 229:265)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  72.1935  50.4881  51.0335              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1567 T22:   0.1069                                     
REMARK   3      T33:   0.2150 T12:  -0.0063                                     
REMARK   3      T13:  -0.0181 T23:   0.0215                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6849 L22:   2.7269                                     
REMARK   3      L33:   3.4674 L12:   0.2463                                     
REMARK   3      L13:   0.4946 L23:   0.7289                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0226 S12:   0.0121 S13:   0.1782                       
REMARK   3      S21:  -0.0700 S22:  -0.0355 S23:   0.0540                       
REMARK   3      S31:  -0.2990 S32:  -0.0840 S33:   0.0536                       
REMARK   3   TLS GROUP : 71                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 266:278)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  61.0445  53.7395  58.5827              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1379 T22:   0.1601                                     
REMARK   3      T33:   0.3530 T12:   0.0090                                     
REMARK   3      T13:  -0.0154 T23:  -0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4964 L22:   5.6147                                     
REMARK   3      L33:   7.6346 L12:  -0.0151                                     
REMARK   3      L13:  -4.1480 L23:  -1.7728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0460 S12:  -0.0948 S13:   0.2969                       
REMARK   3      S21:  -0.1096 S22:  -0.0520 S23:   0.2982                       
REMARK   3      S31:  -0.3836 S32:  -0.3371 S33:  -0.0580                       
REMARK   3   TLS GROUP : 72                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 279:293)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  65.0207  51.5148  61.0811              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1998 T22:   0.1578                                     
REMARK   3      T33:   0.1725 T12:  -0.0001                                     
REMARK   3      T13:  -0.0190 T23:   0.0094                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0651 L22:   5.6003                                     
REMARK   3      L33:   8.4379 L12:  -2.5363                                     
REMARK   3      L13:  -3.4671 L23:   3.9645                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1581 S12:  -0.2200 S13:   0.2944                       
REMARK   3      S21:   0.0245 S22:   0.0006 S23:  -0.0022                       
REMARK   3      S31:  -0.6931 S32:  -0.1973 S33:  -0.0948                       
REMARK   3   TLS GROUP : 73                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 294:367)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  82.0819  38.3390  53.1641              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1179 T22:   0.1698                                     
REMARK   3      T33:   0.1861 T12:  -0.0242                                     
REMARK   3      T13:  -0.0204 T23:  -0.0065                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4337 L22:   0.6760                                     
REMARK   3      L33:   1.4380 L12:  -0.1494                                     
REMARK   3      L13:  -0.0927 L23:  -0.1493                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0201 S12:  -0.0032 S13:   0.0072                       
REMARK   3      S21:   0.0124 S22:  -0.0301 S23:  -0.0895                       
REMARK   3      S31:  -0.0538 S32:   0.2725 S33:   0.0242                       
REMARK   3   TLS GROUP : 74                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 368:398)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  70.7019  28.9293  62.4834              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1833 T22:   0.1422                                     
REMARK   3      T33:   0.1886 T12:   0.0095                                     
REMARK   3      T13:  -0.0149 T23:   0.0249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7019 L22:   1.6127                                     
REMARK   3      L33:   2.1814 L12:   0.3574                                     
REMARK   3      L13:   0.2376 L23:   1.2788                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0734 S12:  -0.1091 S13:   0.0192                       
REMARK   3      S21:   0.1359 S22:  -0.0776 S23:  -0.0618                       
REMARK   3      S31:   0.0815 S32:   0.0375 S33:   0.0167                       
REMARK   3   TLS GROUP : 75                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 399:428)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  73.8963  49.3726  73.8778              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2449 T22:   0.2579                                     
REMARK   3      T33:   0.2001 T12:  -0.0520                                     
REMARK   3      T13:   0.0187 T23:  -0.0418                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6329 L22:   3.9905                                     
REMARK   3      L33:   2.1972 L12:  -0.9618                                     
REMARK   3      L13:  -1.2032 L23:  -1.2491                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1669 S12:  -0.3929 S13:   0.2343                       
REMARK   3      S21:   0.3409 S22:  -0.0681 S23:   0.1361                       
REMARK   3      S31:  -0.2200 S32:   0.0175 S33:  -0.0905                       
REMARK   3   TLS GROUP : 76                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 429:457)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  62.6390  29.6228  75.2131              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2430 T22:   0.2501                                     
REMARK   3      T33:   0.1795 T12:  -0.0604                                     
REMARK   3      T13:   0.0181 T23:   0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5951 L22:   0.9221                                     
REMARK   3      L33:   0.9476 L12:   0.8174                                     
REMARK   3      L13:   0.7363 L23:   0.7801                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1086 S12:  -0.0813 S13:   0.0497                       
REMARK   3      S21:   0.1402 S22:  -0.0739 S23:   0.0775                       
REMARK   3      S31:   0.1580 S32:  -0.2410 S33:  -0.0343                       
REMARK   3   TLS GROUP : 77                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 458:485)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  63.9153  12.4019  70.9502              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2778 T22:   0.1499                                     
REMARK   3      T33:   0.1753 T12:  -0.0512                                     
REMARK   3      T13:   0.0006 T23:   0.0328                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2679 L22:   1.7533                                     
REMARK   3      L33:   3.4868 L12:   0.1705                                     
REMARK   3      L13:   0.5749 L23:   0.1099                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1748 S12:  -0.2277 S13:  -0.2496                       
REMARK   3      S21:   0.1550 S22:  -0.0346 S23:  -0.0169                       
REMARK   3      S31:   0.7048 S32:   0.0428 S33:  -0.1845                       
REMARK   3   TLS GROUP : 78                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 486:494)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  59.0723  16.5293  84.5117              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3854 T22:   0.3453                                     
REMARK   3      T33:   0.2389 T12:  -0.1305                                     
REMARK   3      T13:   0.0391 T23:   0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8691 L22:   5.1826                                     
REMARK   3      L33:   5.4073 L12:  -0.1808                                     
REMARK   3      L13:   3.0517 L23:  -4.0904                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0745 S12:  -0.7792 S13:   0.0738                       
REMARK   3      S21:   0.4283 S22:  -0.3308 S23:   0.0510                       
REMARK   3      S31:   0.2399 S32:  -0.1992 S33:   0.4201                       
REMARK   3   TLS GROUP : 79                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 495:530)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  67.7555  18.2826  71.6901              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2465 T22:   0.1150                                     
REMARK   3      T33:   0.1610 T12:  -0.0318                                     
REMARK   3      T13:  -0.0201 T23:   0.0336                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8523 L22:   1.5727                                     
REMARK   3      L33:   2.6591 L12:   0.0835                                     
REMARK   3      L13:  -0.3900 L23:   0.0468                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0693 S12:  -0.2200 S13:  -0.2377                       
REMARK   3      S21:   0.3237 S22:  -0.0791 S23:  -0.0539                       
REMARK   3      S31:   0.1879 S32:  -0.0703 S33:   0.0108                       
REMARK   3   TLS GROUP : 80                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 531:583)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  85.2255  36.0133  53.8491              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1205 T22:   0.2167                                     
REMARK   3      T33:   0.2141 T12:   0.0191                                     
REMARK   3      T13:  -0.0224 T23:   0.0024                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7616 L22:   1.1131                                     
REMARK   3      L33:   2.4943 L12:   0.6174                                     
REMARK   3      L13:   0.1357 L23:   0.9881                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0192 S12:  -0.0280 S13:   0.0193                       
REMARK   3      S21:   0.0530 S22:   0.0816 S23:  -0.0579                       
REMARK   3      S31:   0.0455 S32:   0.3979 S33:  -0.0886                       
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 4M10 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-AUG-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB081329.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-NOV-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XSCALE                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 197072                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.090                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 6.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.09600                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.9600                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.12                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.75400                            
REMARK 200  R SYM FOR SHELL            (I) : 0.75400                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASES                                                
REMARK 200 STARTING MODEL: PDB ENTRY 3NT1, CHAIN A                              
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.33                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: MCOX-2 PROTEIN RECONSTITUTED WITH A 2-   
REMARK 280  FOLD MOLAR EXCESS OF HEME IN PHOSPHTATE BUFFER, PH 6.7, 100 MM      
REMARK 280  NACL, 1.2% (W/V) -OG, AND 0.1% NAN3, AND 10-FOLD MOLAR EXCESS OF    
REMARK 280  INHIBITORS FROM 25 MM DMSO STOCKS WERE ADDED TO PROTEIN SAMPLES.    
REMARK 280  MIXING 3 UL OF THE PROTEIN-INHIBITOR COMPLEX WITH 3 UL              
REMARK 280  CRYSTALLIZATION SOLUTION CONTAINING 50 MM EPPS, PH 8.0, 120 MM      
REMARK 280  MGCL2, 22-26% PEG MME-550 AGAINST RESERVOIR SOLUTIONS COMPRISED     
REMARK 280  OF 50 MM EPPS PH 8.0, 120 MM MGCL2, 22-26% PEG MME-550, VAPOR       
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 291K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 2 21 21                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   X,-Y,-Z                                                 
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   -X,-Y+1/2,Z+1/2                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       67.03850            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       90.21950            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       67.03850            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       90.21950            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 12370 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 42010 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -28.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 12370 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 41970 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -28.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, 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 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     ASP A   584                                                      
REMARK 465     PRO A   585                                                      
REMARK 465     GLN A   586                                                      
REMARK 465     PRO A   587                                                      
REMARK 465     THR A   588                                                      
REMARK 465     LYS A   589                                                      
REMARK 465     THR A   590                                                      
REMARK 465     ALA A   591                                                      
REMARK 465     THR A   592                                                      
REMARK 465     ILE A   593                                                      
REMARK 465     ASN A   594                                                      
REMARK 465     ALA A   595                                                      
REMARK 465     SER A   596                                                      
REMARK 465     ALA A   597                                                      
REMARK 465     SER A   598                                                      
REMARK 465     HIS A   599                                                      
REMARK 465     SER A   600                                                      
REMARK 465     ARG A   601                                                      
REMARK 465     LEU A   602                                                      
REMARK 465     ASP A   603                                                      
REMARK 465     ASP A   604                                                      
REMARK 465     ILE A   605                                                      
REMARK 465     ASN A   606                                                      
REMARK 465     PRO A   607                                                      
REMARK 465     THR A   608                                                      
REMARK 465     VAL A   609                                                      
REMARK 465     LEU A   610                                                      
REMARK 465     ILE A   611                                                      
REMARK 465     LYS A   612                                                      
REMARK 465     ARG A   613                                                      
REMARK 465     ARG A   614                                                      
REMARK 465     SER A   615                                                      
REMARK 465     THR A   616                                                      
REMARK 465     GLU A   617                                                      
REMARK 465     LEU A   618                                                      
REMARK 465     ASP B   584                                                      
REMARK 465     PRO B   585                                                      
REMARK 465     GLN B   586                                                      
REMARK 465     PRO B   587                                                      
REMARK 465     THR B   588                                                      
REMARK 465     LYS B   589                                                      
REMARK 465     THR B   590                                                      
REMARK 465     ALA B   591                                                      
REMARK 465     THR B   592                                                      
REMARK 465     ILE B   593                                                      
REMARK 465     ASN B   594                                                      
REMARK 465     ALA B   595                                                      
REMARK 465     SER B   596                                                      
REMARK 465     ALA B   597                                                      
REMARK 465     SER B   598                                                      
REMARK 465     HIS B   599                                                      
REMARK 465     SER B   600                                                      
REMARK 465     ARG B   601                                                      
REMARK 465     LEU B   602                                                      
REMARK 465     ASP B   603                                                      
REMARK 465     ASP B   604                                                      
REMARK 465     ILE B   605                                                      
REMARK 465     ASN B   606                                                      
REMARK 465     PRO B   607                                                      
REMARK 465     THR B   608                                                      
REMARK 465     VAL B   609                                                      
REMARK 465     LEU B   610                                                      
REMARK 465     ILE B   611                                                      
REMARK 465     LYS B   612                                                      
REMARK 465     ARG B   613                                                      
REMARK 465     ARG B   614                                                      
REMARK 465     SER B   615                                                      
REMARK 465     THR B   616                                                      
REMARK 465     GLU B   617                                                      
REMARK 465     LEU B   618                                                      
REMARK 465     GLN C   583                                                      
REMARK 465     ASP C   584                                                      
REMARK 465     PRO C   585                                                      
REMARK 465     GLN C   586                                                      
REMARK 465     PRO C   587                                                      
REMARK 465     THR C   588                                                      
REMARK 465     LYS C   589                                                      
REMARK 465     THR C   590                                                      
REMARK 465     ALA C   591                                                      
REMARK 465     THR C   592                                                      
REMARK 465     ILE C   593                                                      
REMARK 465     ASN C   594                                                      
REMARK 465     ALA C   595                                                      
REMARK 465     SER C   596                                                      
REMARK 465     ALA C   597                                                      
REMARK 465     SER C   598                                                      
REMARK 465     HIS C   599                                                      
REMARK 465     SER C   600                                                      
REMARK 465     ARG C   601                                                      
REMARK 465     LEU C   602                                                      
REMARK 465     ASP C   603                                                      
REMARK 465     ASP C   604                                                      
REMARK 465     ILE C   605                                                      
REMARK 465     ASN C   606                                                      
REMARK 465     PRO C   607                                                      
REMARK 465     THR C   608                                                      
REMARK 465     VAL C   609                                                      
REMARK 465     LEU C   610                                                      
REMARK 465     ILE C   611                                                      
REMARK 465     LYS C   612                                                      
REMARK 465     ARG C   613                                                      
REMARK 465     ARG C   614                                                      
REMARK 465     SER C   615                                                      
REMARK 465     THR C   616                                                      
REMARK 465     GLU C   617                                                      
REMARK 465     LEU C   618                                                      
REMARK 465     ASP D   584                                                      
REMARK 465     PRO D   585                                                      
REMARK 465     GLN D   586                                                      
REMARK 465     PRO D   587                                                      
REMARK 465     THR D   588                                                      
REMARK 465     LYS D   589                                                      
REMARK 465     THR D   590                                                      
REMARK 465     ALA D   591                                                      
REMARK 465     THR D   592                                                      
REMARK 465     ILE D   593                                                      
REMARK 465     ASN D   594                                                      
REMARK 465     ALA D   595                                                      
REMARK 465     SER D   596                                                      
REMARK 465     ALA D   597                                                      
REMARK 465     SER D   598                                                      
REMARK 465     HIS D   599                                                      
REMARK 465     SER D   600                                                      
REMARK 465     ARG D   601                                                      
REMARK 465     LEU D   602                                                      
REMARK 465     ASP D   603                                                      
REMARK 465     ASP D   604                                                      
REMARK 465     ILE D   605                                                      
REMARK 465     ASN D   606                                                      
REMARK 465     PRO D   607                                                      
REMARK 465     THR D   608                                                      
REMARK 465     VAL D   609                                                      
REMARK 465     LEU D   610                                                      
REMARK 465     ILE D   611                                                      
REMARK 465     LYS D   612                                                      
REMARK 465     ARG D   613                                                      
REMARK 465     ARG D   614                                                      
REMARK 465     SER D   615                                                      
REMARK 465     THR D   616                                                      
REMARK 465     GLU D   617                                                      
REMARK 465     LEU D   618                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   ND2  ASN B    68     O5   NAG B   701              1.62            
REMARK 500   ND2  ASN A    68     O5   NAG A   701              1.73            
REMARK 500   ND2  ASN D    68     O5   NAG D   701              2.15            
REMARK 500   O4   NAG A   702     C2   NAG A   703              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    LEU C 306   CA  -  CB  -  CG  ANGL. DEV. =  15.4 DEGREES          
REMARK 500    LEU D 531   CA  -  CB  -  CG  ANGL. DEV. =  15.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    TYR A 122       -6.44   -144.90                                   
REMARK 500    THR A 129      -91.86   -119.86                                   
REMARK 500    ARG A 185      -80.63    -91.61                                   
REMARK 500    TRP A 387       40.30    -91.17                                   
REMARK 500    GLU A 398     -120.91     53.71                                   
REMARK 500    ASN A 439       20.78   -142.47                                   
REMARK 500    SER A 496      -49.87     65.18                                   
REMARK 500    ARG B  61       19.08     56.84                                   
REMARK 500    LEU B  81       41.69    -68.44                                   
REMARK 500    LEU B  82       11.94   -176.82                                   
REMARK 500    HIS B  95     -167.20   -126.72                                   
REMARK 500    TYR B 122       -3.56   -149.18                                   
REMARK 500    THR B 129      -92.67   -121.45                                   
REMARK 500    ARG B 185      -85.17    -93.40                                   
REMARK 500    TRP B 387       38.49    -96.34                                   
REMARK 500    GLU B 398     -116.39     54.72                                   
REMARK 500    ASN B 410       76.93   -117.87                                   
REMARK 500    ASN B 439       14.02   -143.49                                   
REMARK 500    SER B 496      -46.28     70.57                                   
REMARK 500    THR C 129      -90.20   -120.40                                   
REMARK 500    ARG C 185      -83.67    -96.09                                   
REMARK 500    TRP C 387       43.01    -90.39                                   
REMARK 500    GLU C 398     -113.64     54.11                                   
REMARK 500    ASN C 439       20.55   -143.24                                   
REMARK 500    SER C 496      -46.44     67.31                                   
REMARK 500    ARG D  61       18.47     56.41                                   
REMARK 500    TYR D 122       -9.91   -141.11                                   
REMARK 500    THR D 129      -92.02   -120.53                                   
REMARK 500    ARG D 185      -76.14    -91.85                                   
REMARK 500    TRP D 387       40.73    -95.50                                   
REMARK 500    GLU D 398     -121.15     53.67                                   
REMARK 500    ASN D 410       78.99   -119.70                                   
REMARK 500    SER D 496      -49.52     64.55                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM D 705  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS D 388   NE2                                                    
REMARK 620 2 HEM D 705   NA   91.1                                              
REMARK 620 3 HEM D 705   NB   99.3  87.2                                        
REMARK 620 4 HEM D 705   NC   98.6 170.3  90.2                                  
REMARK 620 5 HEM D 705   ND   88.3  92.5 172.4  88.8                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM A 705  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 388   NE2                                                    
REMARK 620 2 HEM A 705   NA   92.3                                              
REMARK 620 3 HEM A 705   NB   97.0  86.2                                        
REMARK 620 4 HEM A 705   NC   97.0 170.5  90.9                                  
REMARK 620 5 HEM A 705   ND   90.3  94.5 172.7  87.3                            
REMARK 620 6 HOH A 952   O   168.3  77.4  88.1  93.5  85.0                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM C 705  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS C 388   NE2                                                    
REMARK 620 2 HEM C 705   NA   91.2                                              
REMARK 620 3 HEM C 705   NB   98.8  87.6                                        
REMARK 620 4 HEM C 705   NC   96.1 172.7  90.3                                  
REMARK 620 5 HEM C 705   ND   87.6  92.7 173.6  88.6                            
REMARK 620 6 HOH C 831   O   164.2  74.5  87.4  98.5  86.6                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM B 705  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B 388   NE2                                                    
REMARK 620 2 HEM B 705   NA   89.6                                              
REMARK 620 3 HEM B 705   NB   97.6  89.3                                        
REMARK 620 4 HEM B 705   NC   97.1 173.2  89.7                                  
REMARK 620 5 HEM B 705   ND   85.5  89.4 176.7  91.2                            
REMARK 620 6 HOH B 864   O   162.3  73.6  88.0  99.7  88.7                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 705                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ICD A 706                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 705                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ICD B 706                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOG B 707                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOG B 708                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 705                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ICD C 706                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOG C 707                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 705                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ICD D 706                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOG D 707                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG A 701 BOUND   
REMARK 800  TO ASN A 68                                                         
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A   
REMARK 800  144 RESIDUES 702 TO 703                                             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG A 704 BOUND   
REMARK 800  TO ASN A 410                                                        
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG B 701 BOUND   
REMARK 800  TO ASN B 68                                                         
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B   
REMARK 800  144 RESIDUES 702 TO 703                                             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG B 704 BOUND   
REMARK 800  TO ASN B 410                                                        
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 701 BOUND   
REMARK 800  TO ASN C 68                                                         
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN C OF SUGAR BOUND TO ASN C   
REMARK 800  144 RESIDUES 702 TO 703                                             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 704 BOUND   
REMARK 800  TO ASN C 410                                                        
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG D 701 BOUND   
REMARK 800  TO ASN D 68                                                         
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN D OF SUGAR BOUND TO ASN D   
REMARK 800  144 RESIDUES 702 TO 703                                             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG D 704 BOUND   
REMARK 800  TO ASN D 410                                                        
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4M11   RELATED DB: PDB                                   
DBREF  4M10 A   33   618  UNP    Q05769   PGH2_MOUSE      18    604             
DBREF  4M10 B   33   618  UNP    Q05769   PGH2_MOUSE      18    604             
DBREF  4M10 C   33   618  UNP    Q05769   PGH2_MOUSE      18    604             
DBREF  4M10 D   33   618  UNP    Q05769   PGH2_MOUSE      18    604             
SEQRES   1 A  587  ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY          
SEQRES   2 A  587  GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP          
SEQRES   3 A  587  CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR          
SEQRES   4 A  587  PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO          
SEQRES   5 A  587  THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS          
SEQRES   6 A  587  GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG          
SEQRES   7 A  587  SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR          
SEQRES   8 A  587  LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY          
SEQRES   9 A  587  TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR          
SEQRES  10 A  587  THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR          
SEQRES  11 A  587  PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER          
SEQRES  12 A  587  LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE          
SEQRES  13 A  587  ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE          
SEQRES  14 A  587  PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP          
SEQRES  15 A  587  HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS          
SEQRES  16 A  587  GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP          
SEQRES  17 A  587  ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU          
SEQRES  18 A  587  LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR          
SEQRES  19 A  587  VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS          
SEQRES  20 A  587  ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL          
SEQRES  21 A  587  PHE GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE          
SEQRES  22 A  587  TRP LEU ARG GLU HIS ASN ARG VAL CYS ASP ILE LEU LYS          
SEQRES  23 A  587  GLN GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN          
SEQRES  24 A  587  THR SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE          
SEQRES  25 A  587  VAL ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS          
SEQRES  26 A  587  PHE LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN GLN          
SEQRES  27 A  587  GLN PHE GLN TYR GLN ASN ARG ILE ALA SER GLU PHE ASN          
SEQRES  28 A  587  THR LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE          
SEQRES  29 A  587  ASN ILE GLU ASP GLN GLU TYR SER PHE LYS GLN PHE LEU          
SEQRES  30 A  587  TYR ASN ASN SER ILE LEU LEU GLU HIS GLY LEU THR GLN          
SEQRES  31 A  587  PHE VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL          
SEQRES  32 A  587  ALA GLY GLY ARG ASN VAL PRO ILE ALA VAL GLN ALA VAL          
SEQRES  33 A  587  ALA LYS ALA SER ILE ASP GLN SER ARG GLU MET LYS TYR          
SEQRES  34 A  587  GLN SER LEU ASN GLU TYR ARG LYS ARG PHE SER LEU LYS          
SEQRES  35 A  587  PRO TYR THR SER PHE GLU GLU LEU THR GLY GLU LYS GLU          
SEQRES  36 A  587  MET ALA ALA GLU LEU LYS ALA LEU TYR SER ASP ILE ASP          
SEQRES  37 A  587  VAL MET GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO          
SEQRES  38 A  587  ARG PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU LEU          
SEQRES  39 A  587  GLY ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN PRO          
SEQRES  40 A  587  ILE CYS SER PRO GLN TYR TRP LYS PRO SER THR PHE GLY          
SEQRES  41 A  587  GLY GLU VAL GLY PHE LYS ILE ILE ASN THR ALA SER ILE          
SEQRES  42 A  587  GLN SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE          
SEQRES  43 A  587  THR SER PHE ASN VAL GLN ASP PRO GLN PRO THR LYS THR          
SEQRES  44 A  587  ALA THR ILE ASN ALA SER ALA SER HIS SER ARG LEU ASP          
SEQRES  45 A  587  ASP ILE ASN PRO THR VAL LEU ILE LYS ARG ARG SER THR          
SEQRES  46 A  587  GLU LEU                                                      
SEQRES   1 B  587  ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY          
SEQRES   2 B  587  GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP          
SEQRES   3 B  587  CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR          
SEQRES   4 B  587  PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO          
SEQRES   5 B  587  THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS          
SEQRES   6 B  587  GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG          
SEQRES   7 B  587  SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR          
SEQRES   8 B  587  LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY          
SEQRES   9 B  587  TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR          
SEQRES  10 B  587  THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR          
SEQRES  11 B  587  PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER          
SEQRES  12 B  587  LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE          
SEQRES  13 B  587  ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE          
SEQRES  14 B  587  PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP          
SEQRES  15 B  587  HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS          
SEQRES  16 B  587  GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP          
SEQRES  17 B  587  ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU          
SEQRES  18 B  587  LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR          
SEQRES  19 B  587  VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS          
SEQRES  20 B  587  ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL          
SEQRES  21 B  587  PHE GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE          
SEQRES  22 B  587  TRP LEU ARG GLU HIS ASN ARG VAL CYS ASP ILE LEU LYS          
SEQRES  23 B  587  GLN GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN          
SEQRES  24 B  587  THR SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE          
SEQRES  25 B  587  VAL ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS          
SEQRES  26 B  587  PHE LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN GLN          
SEQRES  27 B  587  GLN PHE GLN TYR GLN ASN ARG ILE ALA SER GLU PHE ASN          
SEQRES  28 B  587  THR LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE          
SEQRES  29 B  587  ASN ILE GLU ASP GLN GLU TYR SER PHE LYS GLN PHE LEU          
SEQRES  30 B  587  TYR ASN ASN SER ILE LEU LEU GLU HIS GLY LEU THR GLN          
SEQRES  31 B  587  PHE VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL          
SEQRES  32 B  587  ALA GLY GLY ARG ASN VAL PRO ILE ALA VAL GLN ALA VAL          
SEQRES  33 B  587  ALA LYS ALA SER ILE ASP GLN SER ARG GLU MET LYS TYR          
SEQRES  34 B  587  GLN SER LEU ASN GLU TYR ARG LYS ARG PHE SER LEU LYS          
SEQRES  35 B  587  PRO TYR THR SER PHE GLU GLU LEU THR GLY GLU LYS GLU          
SEQRES  36 B  587  MET ALA ALA GLU LEU LYS ALA LEU TYR SER ASP ILE ASP          
SEQRES  37 B  587  VAL MET GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO          
SEQRES  38 B  587  ARG PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU LEU          
SEQRES  39 B  587  GLY ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN PRO          
SEQRES  40 B  587  ILE CYS SER PRO GLN TYR TRP LYS PRO SER THR PHE GLY          
SEQRES  41 B  587  GLY GLU VAL GLY PHE LYS ILE ILE ASN THR ALA SER ILE          
SEQRES  42 B  587  GLN SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE          
SEQRES  43 B  587  THR SER PHE ASN VAL GLN ASP PRO GLN PRO THR LYS THR          
SEQRES  44 B  587  ALA THR ILE ASN ALA SER ALA SER HIS SER ARG LEU ASP          
SEQRES  45 B  587  ASP ILE ASN PRO THR VAL LEU ILE LYS ARG ARG SER THR          
SEQRES  46 B  587  GLU LEU                                                      
SEQRES   1 C  587  ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY          
SEQRES   2 C  587  GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP          
SEQRES   3 C  587  CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR          
SEQRES   4 C  587  PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO          
SEQRES   5 C  587  THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS          
SEQRES   6 C  587  GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG          
SEQRES   7 C  587  SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR          
SEQRES   8 C  587  LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY          
SEQRES   9 C  587  TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR          
SEQRES  10 C  587  THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR          
SEQRES  11 C  587  PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER          
SEQRES  12 C  587  LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE          
SEQRES  13 C  587  ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE          
SEQRES  14 C  587  PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP          
SEQRES  15 C  587  HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS          
SEQRES  16 C  587  GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP          
SEQRES  17 C  587  ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU          
SEQRES  18 C  587  LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR          
SEQRES  19 C  587  VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS          
SEQRES  20 C  587  ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL          
SEQRES  21 C  587  PHE GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE          
SEQRES  22 C  587  TRP LEU ARG GLU HIS ASN ARG VAL CYS ASP ILE LEU LYS          
SEQRES  23 C  587  GLN GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN          
SEQRES  24 C  587  THR SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE          
SEQRES  25 C  587  VAL ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS          
SEQRES  26 C  587  PHE LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN GLN          
SEQRES  27 C  587  GLN PHE GLN TYR GLN ASN ARG ILE ALA SER GLU PHE ASN          
SEQRES  28 C  587  THR LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE          
SEQRES  29 C  587  ASN ILE GLU ASP GLN GLU TYR SER PHE LYS GLN PHE LEU          
SEQRES  30 C  587  TYR ASN ASN SER ILE LEU LEU GLU HIS GLY LEU THR GLN          
SEQRES  31 C  587  PHE VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL          
SEQRES  32 C  587  ALA GLY GLY ARG ASN VAL PRO ILE ALA VAL GLN ALA VAL          
SEQRES  33 C  587  ALA LYS ALA SER ILE ASP GLN SER ARG GLU MET LYS TYR          
SEQRES  34 C  587  GLN SER LEU ASN GLU TYR ARG LYS ARG PHE SER LEU LYS          
SEQRES  35 C  587  PRO TYR THR SER PHE GLU GLU LEU THR GLY GLU LYS GLU          
SEQRES  36 C  587  MET ALA ALA GLU LEU LYS ALA LEU TYR SER ASP ILE ASP          
SEQRES  37 C  587  VAL MET GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO          
SEQRES  38 C  587  ARG PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU LEU          
SEQRES  39 C  587  GLY ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN PRO          
SEQRES  40 C  587  ILE CYS SER PRO GLN TYR TRP LYS PRO SER THR PHE GLY          
SEQRES  41 C  587  GLY GLU VAL GLY PHE LYS ILE ILE ASN THR ALA SER ILE          
SEQRES  42 C  587  GLN SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE          
SEQRES  43 C  587  THR SER PHE ASN VAL GLN ASP PRO GLN PRO THR LYS THR          
SEQRES  44 C  587  ALA THR ILE ASN ALA SER ALA SER HIS SER ARG LEU ASP          
SEQRES  45 C  587  ASP ILE ASN PRO THR VAL LEU ILE LYS ARG ARG SER THR          
SEQRES  46 C  587  GLU LEU                                                      
SEQRES   1 D  587  ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY          
SEQRES   2 D  587  GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP          
SEQRES   3 D  587  CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR          
SEQRES   4 D  587  PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO          
SEQRES   5 D  587  THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS          
SEQRES   6 D  587  GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG          
SEQRES   7 D  587  SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR          
SEQRES   8 D  587  LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY          
SEQRES   9 D  587  TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR          
SEQRES  10 D  587  THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR          
SEQRES  11 D  587  PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER          
SEQRES  12 D  587  LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE          
SEQRES  13 D  587  ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE          
SEQRES  14 D  587  PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP          
SEQRES  15 D  587  HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS          
SEQRES  16 D  587  GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP          
SEQRES  17 D  587  ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU          
SEQRES  18 D  587  LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR          
SEQRES  19 D  587  VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS          
SEQRES  20 D  587  ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL          
SEQRES  21 D  587  PHE GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE          
SEQRES  22 D  587  TRP LEU ARG GLU HIS ASN ARG VAL CYS ASP ILE LEU LYS          
SEQRES  23 D  587  GLN GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN          
SEQRES  24 D  587  THR SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE          
SEQRES  25 D  587  VAL ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS          
SEQRES  26 D  587  PHE LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN GLN          
SEQRES  27 D  587  GLN PHE GLN TYR GLN ASN ARG ILE ALA SER GLU PHE ASN          
SEQRES  28 D  587  THR LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE          
SEQRES  29 D  587  ASN ILE GLU ASP GLN GLU TYR SER PHE LYS GLN PHE LEU          
SEQRES  30 D  587  TYR ASN ASN SER ILE LEU LEU GLU HIS GLY LEU THR GLN          
SEQRES  31 D  587  PHE VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL          
SEQRES  32 D  587  ALA GLY GLY ARG ASN VAL PRO ILE ALA VAL GLN ALA VAL          
SEQRES  33 D  587  ALA LYS ALA SER ILE ASP GLN SER ARG GLU MET LYS TYR          
SEQRES  34 D  587  GLN SER LEU ASN GLU TYR ARG LYS ARG PHE SER LEU LYS          
SEQRES  35 D  587  PRO TYR THR SER PHE GLU GLU LEU THR GLY GLU LYS GLU          
SEQRES  36 D  587  MET ALA ALA GLU LEU LYS ALA LEU TYR SER ASP ILE ASP          
SEQRES  37 D  587  VAL MET GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO          
SEQRES  38 D  587  ARG PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU LEU          
SEQRES  39 D  587  GLY ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN PRO          
SEQRES  40 D  587  ILE CYS SER PRO GLN TYR TRP LYS PRO SER THR PHE GLY          
SEQRES  41 D  587  GLY GLU VAL GLY PHE LYS ILE ILE ASN THR ALA SER ILE          
SEQRES  42 D  587  GLN SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE          
SEQRES  43 D  587  THR SER PHE ASN VAL GLN ASP PRO GLN PRO THR LYS THR          
SEQRES  44 D  587  ALA THR ILE ASN ALA SER ALA SER HIS SER ARG LEU ASP          
SEQRES  45 D  587  ASP ILE ASN PRO THR VAL LEU ILE LYS ARG ARG SER THR          
SEQRES  46 D  587  GLU LEU                                                      
MODRES 4M10 ASN C   68  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN B   68  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN D   68  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN A   68  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN C  410  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN D  144  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN B  144  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN A  144  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN D  410  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN C  144  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN A  410  ASN  GLYCOSYLATION SITE                                 
MODRES 4M10 ASN B  410  ASN  GLYCOSYLATION SITE                                 
HET    NAG  A 701      14                                                       
HET    NAG  A 702      14                                                       
HET    NAG  A 703      14                                                       
HET    NAG  A 704      14                                                       
HET    HEM  A 705      43                                                       
HET    ICD  A 706      23                                                       
HET    NAG  B 701      14                                                       
HET    NAG  B 702      14                                                       
HET    NAG  B 703      14                                                       
HET    NAG  B 704      14                                                       
HET    HEM  B 705      43                                                       
HET    ICD  B 706      23                                                       
HET    BOG  B 707      20                                                       
HET    BOG  B 708      20                                                       
HET    NAG  C 701      14                                                       
HET    NAG  C 702      14                                                       
HET    NAG  C 703      14                                                       
HET    NAG  C 704      14                                                       
HET    HEM  C 705      43                                                       
HET    ICD  C 706      23                                                       
HET    BOG  C 707      20                                                       
HET    NAG  D 701      14                                                       
HET    NAG  D 702      14                                                       
HET    NAG  D 703      14                                                       
HET    NAG  D 704      14                                                       
HET    HEM  D 705      43                                                       
HET    ICD  D 706      23                                                       
HET    BOG  D 707      20                                                       
HETNAM     NAG N-ACETYL-D-GLUCOSAMINE                                           
HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
HETNAM     ICD 4-HYDROXY-2-METHYL-N-(5-METHYL-1,2-OXAZOL-3-YL)-2H-1,2-          
HETNAM   2 ICD  BENZOTHIAZINE-3-CARBOXAMIDE 1,1-DIOXIDE                         
HETNAM     BOG B-OCTYLGLUCOSIDE                                                 
HETSYN     HEM HEME                                                             
HETSYN     ICD ISOXICAM                                                         
FORMUL   5  NAG    16(C8 H15 N O6)                                              
FORMUL   8  HEM    4(C34 H32 FE N4 O4)                                          
FORMUL   9  ICD    4(C14 H13 N3 O5 S)                                           
FORMUL  15  BOG    4(C14 H28 O6)                                                
FORMUL  29  HOH   *1738(H2 O)                                                   
HELIX    1   1 GLU A   73  LYS A   83  1                                  11    
HELIX    2   2 THR A   85  THR A   94  1                                  10    
HELIX    3   3 PHE A   96  ASN A  105  1                                  10    
HELIX    4   4 ILE A  105A ARG A  120  1                                  16    
HELIX    5   5 SER A  138  ASN A  144  1                                   7    
HELIX    6   6 ASP A  173  LEU A  182  1                                  10    
HELIX    7   7 ASN A  195  HIS A  207  1                                  13    
HELIX    8   8 LEU A  230  GLY A  235  1                                   6    
HELIX    9   9 THR A  237  ARG A  245  1                                   9    
HELIX   10  10 THR A  265  GLN A  270  1                                   6    
HELIX   11  11 PRO A  280  GLN A  284  5                                   5    
HELIX   12  12 VAL A  291  LEU A  294  5                                   4    
HELIX   13  13 VAL A  295  HIS A  320  1                                  26    
HELIX   14  14 GLY A  324  ASP A  347  1                                  24    
HELIX   15  15 ASP A  347  GLY A  354  1                                   8    
HELIX   16  16 ASP A  362  PHE A  367  5                                   6    
HELIX   17  17 ALA A  378  TYR A  385  1                                   8    
HELIX   18  18 HIS A  386  LEU A  391  5                                   6    
HELIX   19  19 SER A  403  LEU A  408  1                                   6    
HELIX   20  20 ASN A  410  GLN A  429  1                                  20    
HELIX   21  21 PRO A  441  ALA A  443  5                                   3    
HELIX   22  22 VAL A  444  MET A  458  1                                  15    
HELIX   23  23 SER A  462  PHE A  470  1                                   9    
HELIX   24  24 SER A  477  GLY A  483  1                                   7    
HELIX   25  25 LYS A  485  SER A  496  1                                  12    
HELIX   26  26 ASP A  497  MET A  501  5                                   5    
HELIX   27  27 GLU A  502  GLU A  510  1                                   9    
HELIX   28  28 GLY A  519  GLY A  536  1                                  18    
HELIX   29  29 ASN A  537  SER A  541  5                                   5    
HELIX   30  30 LYS A  546  GLY A  551  5                                   6    
HELIX   31  31 GLY A  552  THR A  561  1                                  10    
HELIX   32  32 SER A  563  VAL A  572  1                                  10    
HELIX   33  33 GLU B   73  LEU B   81  1                                   9    
HELIX   34  34 THR B   85  THR B   94  1                                  10    
HELIX   35  35 PHE B   96  ASN B  105  1                                  10    
HELIX   36  36 ILE B  105A ARG B  120  1                                  16    
HELIX   37  37 SER B  138  ASN B  144  1                                   7    
HELIX   38  38 ASP B  173  LEU B  182  1                                  10    
HELIX   39  39 ASN B  195  HIS B  207  1                                  13    
HELIX   40  40 LEU B  230  GLY B  235  1                                   6    
HELIX   41  41 THR B  237  ARG B  245  1                                   9    
HELIX   42  42 THR B  265  GLN B  270  1                                   6    
HELIX   43  43 PRO B  280  GLN B  284  5                                   5    
HELIX   44  44 VAL B  291  LEU B  294  5                                   4    
HELIX   45  45 VAL B  295  HIS B  320  1                                  26    
HELIX   46  46 GLY B  324  ASP B  347  1                                  24    
HELIX   47  47 ASP B  347  GLY B  354  1                                   8    
HELIX   48  48 ASP B  362  PHE B  367  5                                   6    
HELIX   49  49 ALA B  378  TYR B  385  1                                   8    
HELIX   50  50 TRP B  387  LEU B  391  5                                   5    
HELIX   51  51 SER B  403  LEU B  408  1                                   6    
HELIX   52  52 ASN B  411  GLN B  429  1                                  19    
HELIX   53  53 PRO B  441  ALA B  443  5                                   3    
HELIX   54  54 VAL B  444  MET B  458  1                                  15    
HELIX   55  55 SER B  462  PHE B  470  1                                   9    
HELIX   56  56 SER B  477  GLY B  483  1                                   7    
HELIX   57  57 LYS B  485  SER B  496  1                                  12    
HELIX   58  58 ASP B  497  MET B  501  5                                   5    
HELIX   59  59 GLU B  502  GLU B  510  1                                   9    
HELIX   60  60 GLY B  519  GLY B  536  1                                  18    
HELIX   61  61 ASN B  537  SER B  541  5                                   5    
HELIX   62  62 LYS B  546  GLY B  551  5                                   6    
HELIX   63  63 GLY B  552  THR B  561  1                                  10    
HELIX   64  64 SER B  563  VAL B  572  1                                  10    
HELIX   65  65 GLU C   73  LYS C   83  1                                  11    
HELIX   66  66 THR C   85  THR C   94  1                                  10    
HELIX   67  67 PHE C   96  ASN C  105  1                                  10    
HELIX   68  68 ILE C  105A ARG C  120  1                                  16    
HELIX   69  69 SER C  138  ASN C  144  1                                   7    
HELIX   70  70 ASP C  173  LEU C  182  1                                  10    
HELIX   71  71 ASN C  195  HIS C  207  1                                  13    
HELIX   72  72 LEU C  230  GLY C  235  1                                   6    
HELIX   73  73 THR C  237  ARG C  245  1                                   9    
HELIX   74  74 THR C  265  GLN C  270  1                                   6    
HELIX   75  75 PRO C  280  GLN C  284  5                                   5    
HELIX   76  76 VAL C  291  LEU C  294  5                                   4    
HELIX   77  77 VAL C  295  HIS C  320  1                                  26    
HELIX   78  78 GLY C  324  ASP C  347  1                                  24    
HELIX   79  79 ASP C  347  GLY C  354  1                                   8    
HELIX   80  80 ASP C  362  PHE C  367  5                                   6    
HELIX   81  81 ALA C  378  TYR C  385  1                                   8    
HELIX   82  82 HIS C  386  LEU C  391  5                                   6    
HELIX   83  83 SER C  403  LEU C  408  1                                   6    
HELIX   84  84 ASN C  411  GLN C  429  1                                  19    
HELIX   85  85 PRO C  441  ALA C  443  5                                   3    
HELIX   86  86 VAL C  444  MET C  458  1                                  15    
HELIX   87  87 SER C  462  PHE C  470  1                                   9    
HELIX   88  88 SER C  477  GLY C  483  1                                   7    
HELIX   89  89 LYS C  485  SER C  496  1                                  12    
HELIX   90  90 ASP C  497  MET C  501  5                                   5    
HELIX   91  91 GLU C  502  GLU C  510  1                                   9    
HELIX   92  92 GLY C  519  GLY C  536  1                                  18    
HELIX   93  93 ASN C  537  SER C  541  5                                   5    
HELIX   94  94 LYS C  546  GLY C  551  5                                   6    
HELIX   95  95 GLY C  552  THR C  561  1                                  10    
HELIX   96  96 SER C  563  VAL C  572  1                                  10    
HELIX   97  97 GLU D   73  LYS D   83  1                                  11    
HELIX   98  98 THR D   85  HIS D   95  1                                  11    
HELIX   99  99 PHE D   96  ASN D  105  1                                  10    
HELIX  100 100 ILE D  105A ARG D  120  1                                  16    
HELIX  101 101 SER D  138  ASN D  144  1                                   7    
HELIX  102 102 ASP D  173  LEU D  182  1                                  10    
HELIX  103 103 ASN D  195  HIS D  207  1                                  13    
HELIX  104 104 LEU D  230  GLY D  235  1                                   6    
HELIX  105 105 THR D  237  ARG D  245  1                                   9    
HELIX  106 106 THR D  265  GLN D  270  1                                   6    
HELIX  107 107 PRO D  280  GLN D  284  5                                   5    
HELIX  108 108 VAL D  295  HIS D  320  1                                  26    
HELIX  109 109 GLY D  324  ASP D  347  1                                  24    
HELIX  110 110 ASP D  347  GLY D  354  1                                   8    
HELIX  111 111 ASP D  362  PHE D  367  5                                   6    
HELIX  112 112 ALA D  378  TYR D  385  1                                   8    
HELIX  113 113 TRP D  387  LEU D  391  5                                   5    
HELIX  114 114 SER D  403  LEU D  408  1                                   6    
HELIX  115 115 ASN D  411  GLN D  429  1                                  19    
HELIX  116 116 PRO D  441  ALA D  443  5                                   3    
HELIX  117 117 VAL D  444  MET D  458  1                                  15    
HELIX  118 118 SER D  462  PHE D  470  1                                   9    
HELIX  119 119 SER D  477  GLY D  483  1                                   7    
HELIX  120 120 LYS D  485  SER D  496  1                                  12    
HELIX  121 121 ASP D  497  MET D  501  5                                   5    
HELIX  122 122 GLU D  502  GLU D  510  1                                   9    
HELIX  123 123 GLY D  519  GLY D  536  1                                  18    
HELIX  124 124 ASN D  537  SER D  541  5                                   5    
HELIX  125 125 LYS D  546  GLY D  551  5                                   6    
HELIX  126 126 GLY D  552  THR D  561  1                                  10    
HELIX  127 127 SER D  563  VAL D  572  1                                  10    
SHEET    1   A 2 GLU A  46  GLY A  51  0                                        
SHEET    2   A 2 GLN A  54  ASP A  58 -1  O  LYS A  56   N  MET A  48           
SHEET    1   B 2 PHE A  64  TYR A  65  0                                        
SHEET    2   B 2 THR A  71  PRO A  72 -1  O  THR A  71   N  TYR A  65           
SHEET    1   C 2 TYR A 130  ASN A 131  0                                        
SHEET    2   C 2 THR A 149  ARG A 150 -1  O  ARG A 150   N  TYR A 130           
SHEET    1   D 2 GLN A 255  ILE A 257  0                                        
SHEET    2   D 2 GLU A 260  TYR A 262 -1  O  GLU A 260   N  ILE A 257           
SHEET    1   E 2 PHE A 395  ILE A 397  0                                        
SHEET    2   E 2 GLN A 400  TYR A 402 -1  O  TYR A 402   N  PHE A 395           
SHEET    1   F 2 GLU B  46  SER B  49  0                                        
SHEET    2   F 2 TYR B  55  ASP B  58 -1  O  LYS B  56   N  MET B  48           
SHEET    1   G 2 PHE B  64  TYR B  65  0                                        
SHEET    2   G 2 THR B  71  PRO B  72 -1  O  THR B  71   N  TYR B  65           
SHEET    1   H 2 TYR B 130  ASN B 131  0                                        
SHEET    2   H 2 THR B 149  ARG B 150 -1  O  ARG B 150   N  TYR B 130           
SHEET    1   I 2 GLN B 255  ILE B 257  0                                        
SHEET    2   I 2 GLU B 260  TYR B 262 -1  O  TYR B 262   N  GLN B 255           
SHEET    1   J 2 PHE B 395  ILE B 397  0                                        
SHEET    2   J 2 GLN B 400  TYR B 402 -1  O  TYR B 402   N  PHE B 395           
SHEET    1   K 2 GLU C  46  SER C  49  0                                        
SHEET    2   K 2 TYR C  55  ASP C  58 -1  O  LYS C  56   N  MET C  48           
SHEET    1   L 2 PHE C  64  TYR C  65  0                                        
SHEET    2   L 2 THR C  71  PRO C  72 -1  O  THR C  71   N  TYR C  65           
SHEET    1   M 2 TYR C 130  ASN C 131  0                                        
SHEET    2   M 2 THR C 149  ARG C 150 -1  O  ARG C 150   N  TYR C 130           
SHEET    1   N 2 GLN C 255  ILE C 257  0                                        
SHEET    2   N 2 GLU C 260  TYR C 262 -1  O  GLU C 260   N  ILE C 257           
SHEET    1   O 2 PHE C 395  ILE C 397  0                                        
SHEET    2   O 2 GLN C 400  TYR C 402 -1  O  TYR C 402   N  PHE C 395           
SHEET    1   P 2 GLU D  46  SER D  49  0                                        
SHEET    2   P 2 TYR D  55  ASP D  58 -1  O  ASP D  58   N  GLU D  46           
SHEET    1   Q 2 PHE D  64  TYR D  65  0                                        
SHEET    2   Q 2 THR D  71  PRO D  72 -1  O  THR D  71   N  TYR D  65           
SHEET    1   R 2 TYR D 130  ASN D 131  0                                        
SHEET    2   R 2 THR D 149  ARG D 150 -1  O  ARG D 150   N  TYR D 130           
SHEET    1   S 2 GLN D 255  ILE D 257  0                                        
SHEET    2   S 2 GLU D 260  TYR D 262 -1  O  GLU D 260   N  ILE D 257           
SHEET    1   T 2 PHE D 395  ILE D 397  0                                        
SHEET    2   T 2 GLN D 400  TYR D 402 -1  O  TYR D 402   N  PHE D 395           
SSBOND   1 CYS A   36    CYS A   47                          1555   1555  2.07  
SSBOND   2 CYS A   37    CYS A  159                          1555   1555  2.04  
SSBOND   3 CYS A   41    CYS A   57                          1555   1555  2.02  
SSBOND   4 CYS A   59    CYS A   69                          1555   1555  2.04  
SSBOND   5 CYS A  569    CYS A  575                          1555   1555  2.05  
SSBOND   6 CYS B   36    CYS B   47                          1555   1555  2.06  
SSBOND   7 CYS B   37    CYS B  159                          1555   1555  2.05  
SSBOND   8 CYS B   41    CYS B   57                          1555   1555  2.02  
SSBOND   9 CYS B   59    CYS B   69                          1555   1555  2.05  
SSBOND  10 CYS B  569    CYS B  575                          1555   1555  2.05  
SSBOND  11 CYS C   36    CYS C   47                          1555   1555  2.05  
SSBOND  12 CYS C   37    CYS C  159                          1555   1555  2.04  
SSBOND  13 CYS C   41    CYS C   57                          1555   1555  2.03  
SSBOND  14 CYS C   59    CYS C   69                          1555   1555  2.05  
SSBOND  15 CYS C  569    CYS C  575                          1555   1555  2.05  
SSBOND  16 CYS D   36    CYS D   47                          1555   1555  2.07  
SSBOND  17 CYS D   37    CYS D  159                          1555   1555  2.05  
SSBOND  18 CYS D   41    CYS D   57                          1555   1555  2.02  
SSBOND  19 CYS D   59    CYS D   69                          1555   1555  2.04  
SSBOND  20 CYS D  569    CYS D  575                          1555   1555  2.06  
LINK         ND2 ASN C  68                 C1  NAG C 701     1555   1555  1.31  
LINK         ND2 ASN B  68                 C1  NAG B 701     1555   1555  1.34  
LINK         ND2 ASN D  68                 C1  NAG D 701     1555   1555  1.43  
LINK         ND2 ASN A  68                 C1  NAG A 701     1555   1555  1.44  
LINK         ND2 ASN C 410                 C1  NAG C 704     1555   1555  1.46  
LINK         ND2 ASN D 144                 C1  NAG D 702     1555   1555  1.47  
LINK         ND2 ASN B 144                 C1  NAG B 702     1555   1555  1.48  
LINK         ND2 ASN A 144                 C1  NAG A 702     1555   1555  1.49  
LINK         O4  NAG A 702                 C1  NAG A 703     1555   1555  1.49  
LINK         O4  NAG C 702                 C1  NAG C 703     1555   1555  1.49  
LINK         O4  NAG B 702                 C1  NAG B 703     1555   1555  1.49  
LINK         ND2 ASN D 410                 C1  NAG D 704     1555   1555  1.51  
LINK         ND2 ASN C 144                 C1  NAG C 702     1555   1555  1.51  
LINK         ND2 ASN A 410                 C1  NAG A 704     1555   1555  1.51  
LINK         O4  NAG D 702                 C1  NAG D 703     1555   1555  1.52  
LINK         ND2 ASN B 410                 C1  NAG B 704     1555   1555  1.86  
LINK         NE2 HIS D 388                FE   HEM D 705     1555   1555  2.32  
LINK         NE2 HIS A 388                FE   HEM A 705     1555   1555  2.32  
LINK         NE2 HIS C 388                FE   HEM C 705     1555   1555  2.33  
LINK         NE2 HIS B 388                FE   HEM B 705     1555   1555  2.39  
LINK        FE   HEM B 705                 O   HOH B 864     1555   1555  2.55  
LINK        FE   HEM C 705                 O   HOH C 831     1555   1555  2.64  
LINK        FE   HEM A 705                 O   HOH A 952     1555   1555  2.68  
CISPEP   1 SER A  126    PRO A  127          0         1.72                     
CISPEP   2 SER B  126    PRO B  127          0         4.77                     
CISPEP   3 SER C  126    PRO C  127          0         2.44                     
CISPEP   4 SER D  126    PRO D  127          0         0.09                     
SITE     1 AC1 18 ALA A 199  GLN A 203  HIS A 207  PHE A 210                    
SITE     2 AC1 18 LYS A 211  THR A 212  HIS A 214  VAL A 295                    
SITE     3 AC1 18 ASN A 382  TYR A 385  HIS A 386  HIS A 388                    
SITE     4 AC1 18 LEU A 391  LEU A 408  HOH A 952  HOH A1047                    
SITE     5 AC1 18 HOH A1149  HOH A1178                                          
SITE     1 AC2 12 VAL A 116  LEU A 117  ARG A 120  ILE A 345                    
SITE     2 AC2 12 VAL A 349  LEU A 352  PHE A 518  ALA A 527                    
SITE     3 AC2 12 SER A 530  LEU A 531  HOH A 951  HOH A1106                    
SITE     1 AC3 17 TYR B 148  ALA B 199  GLN B 203  HIS B 207                    
SITE     2 AC3 17 PHE B 210  LYS B 211  THR B 212  HIS B 214                    
SITE     3 AC3 17 ASN B 382  TYR B 385  HIS B 386  HIS B 388                    
SITE     4 AC3 17 LEU B 391  VAL B 447  ALA B 450  HOH B 864                    
SITE     5 AC3 17 HOH B 978                                                     
SITE     1 AC4 10 VAL B 116  ARG B 120  ILE B 345  VAL B 349                    
SITE     2 AC4 10 LEU B 352  PHE B 518  ALA B 527  SER B 530                    
SITE     3 AC4 10 HOH B 889  HOH B1087                                          
SITE     1 AC5 11 GLU A 179  LEU A 183  ARG A 185  ILE A 442                    
SITE     2 AC5 11 GLN A 445  LYS B 180  ARG B 184  ARG B 185                    
SITE     3 AC5 11 ARG B 438  GLU B 486  GLU B 490                               
SITE     1 AC6  3 ASN B  87  THR B  88  TYR B  91                               
SITE     1 AC7 17 TYR C 148  ALA C 199  GLN C 203  HIS C 207                    
SITE     2 AC7 17 PHE C 210  LYS C 211  THR C 212  HIS C 214                    
SITE     3 AC7 17 ASN C 382  TYR C 385  HIS C 386  HIS C 388                    
SITE     4 AC7 17 LEU C 391  VAL C 447  ALA C 450  HOH C 831                    
SITE     5 AC7 17 HOH C1167                                                     
SITE     1 AC8 11 VAL C 116  ARG C 120  ILE C 345  VAL C 349                    
SITE     2 AC8 11 LEU C 352  PHE C 518  ALA C 527  SER C 530                    
SITE     3 AC8 11 LEU C 531  HOH C 898  HOH C1074                               
SITE     1 AC9  6 ASN C  87  TYR C  91  PRO C 514  HOH C1140                    
SITE     2 AC9  6 HOH C1144  HOH C1166                                          
SITE     1 BC1 16 ALA D 199  GLN D 203  HIS D 207  PHE D 210                    
SITE     2 BC1 16 LYS D 211  THR D 212  HIS D 214  VAL D 295                    
SITE     3 BC1 16 ASN D 382  TYR D 385  HIS D 386  HIS D 388                    
SITE     4 BC1 16 LEU D 391  VAL D 447  HOH D1061  HOH D1224                    
SITE     1 BC2 14 MET D 113  VAL D 116  ARG D 120  ILE D 345                    
SITE     2 BC2 14 VAL D 349  LEU D 352  PHE D 518  ALA D 527                    
SITE     3 BC2 14 SER D 530  LEU D 531  LEU D 534  HOH D 840                    
SITE     4 BC2 14 HOH D 943  HOH D1247                                          
SITE     1 BC3 11 LYS C 180  ARG C 184  ARG C 185  ARG C 438                    
SITE     2 BC3 11 GLU C 486  GLU C 490  GLU D 179  ARG D 184                    
SITE     3 BC3 11 ARG D 185  ILE D 442  GLN D 445                               
SITE     1 BC4  4 TYR A  55  GLU A  67  ASN A  68  HOH A 982                    
SITE     1 BC5  8 GLU A 140  ASN A 144  TYR A 147  ARG A 216                    
SITE     2 BC5  8 HOH A 808  HOH A 890  HOH A1184  ASP B 239                    
SITE     1 BC6  5 GLN A 406  ASN A 410  SER A 412  ILE A 413                    
SITE     2 BC6  5 HOH A1181                                                     
SITE     1 BC7  3 TYR B  55  GLU B  67  ASN B  68                               
SITE     1 BC8  9 ASP A 239  GLU B 140  ASN B 144  TYR B 147                    
SITE     2 BC8  9 ARG B 216  HOH B 804  HOH B 841  HOH B 953                    
SITE     3 BC8  9 HOH B 964                                                     
SITE     1 BC9  5 GLN B 406  ASN B 410  SER B 412  ILE B 413                    
SITE     2 BC9  5 HOH B1108                                                     
SITE     1 CC1  5 TYR C  55  GLU C  67  ASN C  68  HOH C1175                    
SITE     2 CC1  5 HOH C1245                                                     
SITE     1 CC2  9 GLU C 140  ASN C 144  TYR C 147  ARG C 216                    
SITE     2 CC2  9 HOH C 807  HOH C 905  HOH C 933  HOH C 971                    
SITE     3 CC2  9 HOH C1176                                                     
SITE     1 CC3  4 GLN C 406  ASN C 410  SER C 412  ILE C 413                    
SITE     1 CC4  4 TYR D  55  GLU D  67  ASN D  68  HOH D1013                    
SITE     1 CC5  8 GLU D 140  ASN D 144  TYR D 147  ARG D 216                    
SITE     2 CC5  8 HOH D 827  HOH D 913  HOH D 989  HOH D1178                    
SITE     1 CC6  4 GLN D 406  ASN D 410  SER D 412  ILE D 413                    
CRYST1  122.612  134.077  180.439  90.00  90.00  90.00 P 2 21 21    16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.008156  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007458  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005542        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system