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Database: PDB
Entry: 4Q9N
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HEADER    OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 01-MAY-14   4Q9N              
TITLE     CRYSTAL STRUCTURE OF CHLAMYDIA TRACHOMATIS ENOYL-ACP REDUCTASE (FABI) 
TITLE    2 IN COMPLEX WITH NADH AND AFN-1252                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH];             
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 FRAGMENT: FABI;                                                      
COMPND   5 EC: 1.3.1.9;                                                         
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS F/11-96;                  
SOURCE   3 ORGANISM_TAXID: 1340853;                                             
SOURCE   4 STRAIN: D/UW-3/CX;                                                   
SOURCE   5 GENE: FABI(CT104), O173_00565;                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) TUNER;                           
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET21                                     
KEYWDS    ENOYL-ACP REDUCTASE, NADH, AFN-1252, FATTY ACID SYNTHESIS, CHLAMYDIA, 
KEYWDS   2 OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.YAO,Y.ABDELRAHMAN,R.M.ROBERTSON,J.V.COX,R.J.BELLAND,S.W.WHITE,      
AUTHOR   2 C.O.ROCK                                                             
REVDAT   3   22-NOV-17 4Q9N    1       REMARK                                   
REVDAT   2   27-AUG-14 4Q9N    1       JRNL                                     
REVDAT   1   25-JUN-14 4Q9N    0                                                
JRNL        AUTH   J.YAO,Y.M.ABDELRAHMAN,R.M.ROBERTSON,J.V.COX,R.J.BELLAND,     
JRNL        AUTH 2 S.W.WHITE,C.O.ROCK                                           
JRNL        TITL   TYPE II FATTY ACID SYNTHESIS IS ESSENTIAL FOR THE            
JRNL        TITL 2 REPLICATION OF CHLAMYDIA TRACHOMATIS.                        
JRNL        REF    J.BIOL.CHEM.                  V. 289 22365 2014              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   24958721                                                     
JRNL        DOI    10.1074/JBC.M114.584185                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.7.3_928                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.61                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 218306                         
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
REMARK   3   R VALUE            (WORKING SET) : 0.186                           
REMARK   3   FREE R VALUE                     : 0.229                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.010                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 10931                           
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 38.6157 -  5.5718    0.99     7005   381  0.1646 0.1700        
REMARK   3     2  5.5718 -  4.4245    0.99     7011   351  0.1412 0.1611        
REMARK   3     3  4.4245 -  3.8658    0.97     6777   368  0.1469 0.1768        
REMARK   3     4  3.8658 -  3.5126    0.97     6864   337  0.1756 0.2144        
REMARK   3     5  3.5126 -  3.2610    0.98     6835   369  0.1926 0.2324        
REMARK   3     6  3.2610 -  3.0688    0.98     6858   360  0.1894 0.2243        
REMARK   3     7  3.0688 -  2.9152    0.98     6787   400  0.1948 0.2299        
REMARK   3     8  2.9152 -  2.7883    0.98     6875   373  0.1929 0.2250        
REMARK   3     9  2.7883 -  2.6810    0.98     6922   346  0.1800 0.2316        
REMARK   3    10  2.6810 -  2.5885    0.99     6902   358  0.1906 0.2399        
REMARK   3    11  2.5885 -  2.5076    0.99     6936   380  0.1945 0.2589        
REMARK   3    12  2.5076 -  2.4359    0.99     6971   355  0.1900 0.2485        
REMARK   3    13  2.4359 -  2.3718    0.99     6985   346  0.1847 0.2421        
REMARK   3    14  2.3718 -  2.3140    0.99     6903   386  0.1854 0.2534        
REMARK   3    15  2.3140 -  2.2614    1.00     7002   350  0.1742 0.2422        
REMARK   3    16  2.2614 -  2.2132    1.00     7012   379  0.1798 0.2412        
REMARK   3    17  2.2132 -  2.1690    1.00     6993   344  0.1839 0.2389        
REMARK   3    18  2.1690 -  2.1280    1.00     6941   366  0.1980 0.2668        
REMARK   3    19  2.1280 -  2.0900    1.00     6912   397  0.1935 0.2483        
REMARK   3    20  2.0900 -  2.0546    1.00     7054   365  0.1983 0.2625        
REMARK   3    21  2.0546 -  2.0215    1.00     7033   374  0.1980 0.2707        
REMARK   3    22  2.0215 -  1.9904    1.00     6946   382  0.1934 0.2392        
REMARK   3    23  1.9904 -  1.9611    1.00     6948   349  0.2147 0.2732        
REMARK   3    24  1.9611 -  1.9335    1.00     7041   371  0.2135 0.2691        
REMARK   3    25  1.9335 -  1.9074    1.00     7009   359  0.2269 0.2959        
REMARK   3    26  1.9074 -  1.8826    1.00     6928   370  0.2517 0.3295        
REMARK   3    27  1.8826 -  1.8590    0.99     6932   360  0.2657 0.3188        
REMARK   3    28  1.8590 -  1.8367    0.98     6813   374  0.2864 0.3334        
REMARK   3    29  1.8367 -  1.8153    0.96     6732   348  0.3087 0.3293        
REMARK   3    30  1.8153 -  1.7949    0.91     6448   333  0.3261 0.3418        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.20                                          
REMARK   3   SHRINKAGE RADIUS   : 0.98                                          
REMARK   3   K_SOL              : 0.33                                          
REMARK   3   B_SOL              : 30.46                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.360           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 20.45                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 25.43                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -5.28080                                             
REMARK   3    B22 (A**2) : -5.28080                                             
REMARK   3    B33 (A**2) : 10.56160                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006          18740                                  
REMARK   3   ANGLE     :  1.057          25529                                  
REMARK   3   CHIRALITY :  0.069           2832                                  
REMARK   3   PLANARITY :  0.005           3181                                  
REMARK   3   DIHEDRAL  : 11.903           6631                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 54                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 2:84)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 102.7552 -16.5387  10.2064              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1465 T22:   0.1474                                     
REMARK   3      T33:   0.2223 T12:  -0.0215                                     
REMARK   3      T13:   0.0351 T23:   0.0793                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1094 L22:   1.0801                                     
REMARK   3      L33:   0.9362 L12:   0.2892                                     
REMARK   3      L13:  -0.5201 L23:  -0.1837                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1599 S12:  -0.0857 S13:  -0.4763                       
REMARK   3      S21:   0.0276 S22:   0.0449 S23:   0.0691                       
REMARK   3      S31:   0.1857 S32:   0.0034 S33:   0.0436                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 85:125)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  89.4946  -7.0642  11.8602              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0889 T22:   0.1576                                     
REMARK   3      T33:   0.1355 T12:  -0.0347                                     
REMARK   3      T13:   0.0458 T23:   0.0800                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9167 L22:   1.8499                                     
REMARK   3      L33:   2.6375 L12:  -0.7387                                     
REMARK   3      L13:   0.2612 L23:  -0.0953                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0798 S12:  -0.1733 S13:  -0.3996                       
REMARK   3      S21:  -0.0195 S22:  -0.0723 S23:   0.4493                       
REMARK   3      S31:   0.1696 S32:  -0.4897 S33:  -0.1701                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 102.1286   2.1820   0.7445              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1000 T22:   0.0829                                     
REMARK   3      T33:   0.0873 T12:   0.0008                                     
REMARK   3      T13:   0.0116 T23:   0.0238                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3689 L22:   0.7450                                     
REMARK   3      L33:   3.4235 L12:   0.1937                                     
REMARK   3      L13:   0.6536 L23:   0.2293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0190 S12:  -0.0010 S13:  -0.0591                       
REMARK   3      S21:   0.0044 S22:   0.0310 S23:   0.1018                       
REMARK   3      S31:   0.0046 S32:  -0.0654 S33:  -0.0201                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 215:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 115.3336  -7.5352  -3.7685              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0978 T22:   0.0901                                     
REMARK   3      T33:   0.1169 T12:  -0.0120                                     
REMARK   3      T13:  -0.0149 T23:   0.0109                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4258 L22:   1.4850                                     
REMARK   3      L33:   1.8694 L12:  -0.3188                                     
REMARK   3      L13:  -0.3024 L23:   0.4458                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0439 S12:   0.1611 S13:  -0.1915                       
REMARK   3      S21:  -0.1804 S22:  -0.0465 S23:   0.0884                       
REMARK   3      S31:   0.1293 S32:  -0.1636 S33:  -0.0291                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 100.1226  28.8796 -21.2829              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1853 T22:   0.2722                                     
REMARK   3      T33:   0.1812 T12:   0.0274                                     
REMARK   3      T13:   0.0204 T23:   0.1392                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5813 L22:   0.8195                                     
REMARK   3      L33:   1.3175 L12:  -0.0165                                     
REMARK   3      L13:   0.7079 L23:  -0.2984                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0231 S12:   0.2065 S13:   0.2365                       
REMARK   3      S21:  -0.1058 S22:   0.1456 S23:   0.1533                       
REMARK   3      S31:  -0.1904 S32:   0.0254 S33:  -0.0857                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  92.3301  31.9243 -16.6410              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1102 T22:   0.1645                                     
REMARK   3      T33:   0.4267 T12:   0.1458                                     
REMARK   3      T13:   0.0630 T23:   0.1633                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0499 L22:   0.3705                                     
REMARK   3      L33:   0.8368 L12:  -0.5161                                     
REMARK   3      L13:  -0.0186 L23:   0.0310                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1321 S12:   0.1765 S13:   0.4221                       
REMARK   3      S21:  -0.0324 S22:   0.0798 S23:   0.2631                       
REMARK   3      S31:  -0.3776 S32:  -0.1175 S33:  -0.0828                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  77.0561  18.4580  -9.1432              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1422 T22:   0.3198                                     
REMARK   3      T33:   0.6848 T12:   0.0941                                     
REMARK   3      T13:   0.0934 T23:   0.1029                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2426 L22:   1.1402                                     
REMARK   3      L33:   1.7013 L12:  -0.6028                                     
REMARK   3      L13:  -0.6914 L23:   1.2173                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0138 S12:   0.0558 S13:  -0.1279                       
REMARK   3      S21:   0.0860 S22:  -0.1509 S23:   0.6076                       
REMARK   3      S31:  -0.1110 S32:  -0.4646 S33:   0.0294                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  89.7107  19.4915 -24.5992              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1163 T22:   0.3207                                     
REMARK   3      T33:   0.3449 T12:   0.0052                                     
REMARK   3      T13:  -0.0635 T23:   0.1157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5582 L22:   0.6935                                     
REMARK   3      L33:   2.5520 L12:  -0.0702                                     
REMARK   3      L13:  -0.4768 L23:   0.2118                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0223 S12:   0.4546 S13:  -0.0797                       
REMARK   3      S21:  -0.2173 S22:   0.0720 S23:   0.6138                       
REMARK   3      S31:  -0.0174 S32:  -0.3245 S33:  -0.0591                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  99.7767  13.1585  -8.6241              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1024 T22:   0.0982                                     
REMARK   3      T33:   0.1205 T12:   0.0197                                     
REMARK   3      T13:  -0.0076 T23:   0.0274                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8081 L22:   0.4958                                     
REMARK   3      L33:   4.8264 L12:   0.1947                                     
REMARK   3      L13:  -0.1414 L23:  -0.2397                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0491 S12:   0.0875 S13:   0.0720                       
REMARK   3      S21:  -0.0198 S22:   0.0575 S23:   0.0738                       
REMARK   3      S31:  -0.0766 S32:  -0.0722 S33:  -0.0873                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 109.1760  26.4243  -8.5412              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0882 T22:   0.1258                                     
REMARK   3      T33:   0.1541 T12:   0.0277                                     
REMARK   3      T13:   0.0312 T23:   0.0356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3818 L22:   1.1787                                     
REMARK   3      L33:   1.7493 L12:   0.2670                                     
REMARK   3      L13:   0.8189 L23:   0.5397                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0399 S12:  -0.0702 S13:   0.2458                       
REMARK   3      S21:   0.0268 S22:  -0.0512 S23:   0.0987                       
REMARK   3      S31:  -0.1546 S32:  -0.2365 S33:   0.0126                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 118.5408  23.4719  -1.5508              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1614 T22:   0.1036                                     
REMARK   3      T33:   0.0981 T12:   0.0273                                     
REMARK   3      T13:   0.0282 T23:   0.0186                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5554 L22:   4.0637                                     
REMARK   3      L33:   1.9056 L12:  -1.2749                                     
REMARK   3      L13:  -0.4033 L23:  -2.4469                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0835 S12:  -0.4195 S13:   0.0851                       
REMARK   3      S21:   0.3384 S22:   0.0014 S23:  -0.1396                       
REMARK   3      S31:  -0.4407 S32:  -0.0428 S33:   0.1277                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 126.9690  29.3744 -27.3607              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1714 T22:   0.1813                                     
REMARK   3      T33:   0.1971 T12:   0.0262                                     
REMARK   3      T13:   0.0462 T23:   0.1095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2038 L22:   0.2356                                     
REMARK   3      L33:   1.7764 L12:   0.8674                                     
REMARK   3      L13:  -0.6145 L23:  -0.1173                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1092 S12:   0.2138 S13:   0.6111                       
REMARK   3      S21:  -0.0759 S22:  -0.0180 S23:  -0.0800                       
REMARK   3      S31:   0.0812 S32:  -0.1409 S33:  -0.0819                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A): 134.8160  26.5150 -32.4459              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1985 T22:   0.2054                                     
REMARK   3      T33:   0.2390 T12:   0.0345                                     
REMARK   3      T13:   0.0764 T23:   0.0819                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1937 L22:   1.7404                                     
REMARK   3      L33:   1.2757 L12:   0.2522                                     
REMARK   3      L13:  -0.9839 L23:  -0.3970                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1563 S12:   0.4120 S13:   0.3208                       
REMARK   3      S21:  -0.2828 S22:  -0.0663 S23:  -0.2317                       
REMARK   3      S31:   0.0073 S32:  -0.1197 S33:  -0.0394                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A): 153.9198  21.9793 -23.7074              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1544 T22:   0.1505                                     
REMARK   3      T33:   0.5478 T12:   0.0486                                     
REMARK   3      T13:   0.0915 T23:  -0.0171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7702 L22:   2.2345                                     
REMARK   3      L33:   5.0782 L12:  -2.4264                                     
REMARK   3      L13:  -1.5932 L23:   1.2866                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1344 S12:  -0.0305 S13:  -0.1438                       
REMARK   3      S21:  -0.0466 S22:   0.0790 S23:  -0.5027                       
REMARK   3      S31:   0.2866 S32:   0.5202 S33:  -0.1025                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 138.5361  34.6988 -20.3101              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1465 T22:   0.1350                                     
REMARK   3      T33:   0.2086 T12:  -0.0011                                     
REMARK   3      T13:   0.0497 T23:   0.0206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7285 L22:   5.0776                                     
REMARK   3      L33:   2.8524 L12:   1.6206                                     
REMARK   3      L13:   0.2340 L23:  -1.5218                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0564 S12:   0.1934 S13:   0.4577                       
REMARK   3      S21:   0.0283 S22:   0.1284 S23:  -0.2753                       
REMARK   3      S31:  -0.3599 S32:   0.1616 S33:  -0.0729                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 133.8585  16.6316 -13.1210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0996 T22:   0.1137                                     
REMARK   3      T33:   0.0914 T12:   0.0009                                     
REMARK   3      T13:   0.0117 T23:   0.0246                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2361 L22:   4.3258                                     
REMARK   3      L33:   0.6742 L12:  -1.0586                                     
REMARK   3      L13:  -0.2873 L23:   0.4798                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0791 S12:   0.0982 S13:   0.0958                       
REMARK   3      S21:  -0.1554 S22:  -0.0821 S23:  -0.1644                       
REMARK   3      S31:  -0.0253 S32:  -0.0311 S33:   0.0129                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 122.1136  14.7692 -24.0012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1268 T22:   0.1773                                     
REMARK   3      T33:   0.0966 T12:   0.0209                                     
REMARK   3      T13:   0.0264 T23:   0.0436                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9252 L22:   2.5919                                     
REMARK   3      L33:   1.0584 L12:   0.2883                                     
REMARK   3      L13:  -0.0352 L23:   0.9034                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0866 S12:   0.2200 S13:   0.0537                       
REMARK   3      S21:  -0.1783 S22:  -0.0735 S23:  -0.0859                       
REMARK   3      S31:   0.0232 S32:  -0.1618 S33:  -0.0023                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 115.1370   5.6827 -19.5353              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1665 T22:   0.1754                                     
REMARK   3      T33:   0.0872 T12:   0.0450                                     
REMARK   3      T13:  -0.0197 T23:   0.0075                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5556 L22:   2.3867                                     
REMARK   3      L33:   4.9865 L12:  -1.5087                                     
REMARK   3      L13:  -0.2353 L23:  -2.5848                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2084 S12:   0.0570 S13:  -0.3453                       
REMARK   3      S21:  -0.2899 S22:  -0.1848 S23:   0.2056                       
REMARK   3      S31:   0.5346 S32:   0.1442 S33:  -0.0767                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 135.8672  -6.9068  12.4968              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1223 T22:   0.1508                                     
REMARK   3      T33:   0.2293 T12:  -0.0103                                     
REMARK   3      T13:  -0.0166 T23:   0.0717                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7065 L22:   0.7532                                     
REMARK   3      L33:   1.6765 L12:  -0.3654                                     
REMARK   3      L13:  -0.0210 L23:   0.4308                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0410 S12:  -0.2291 S13:  -0.4243                       
REMARK   3      S21:   0.2399 S22:  -0.0391 S23:  -0.1532                       
REMARK   3      S31:  -0.0091 S32:   0.0467 S33:   0.0854                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A): 143.7757  -2.2409  15.7149              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1750 T22:   0.1877                                     
REMARK   3      T33:   0.2025 T12:  -0.0225                                     
REMARK   3      T13:  -0.0776 T23:   0.0475                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6914 L22:   1.2341                                     
REMARK   3      L33:   1.3480 L12:  -0.3602                                     
REMARK   3      L13:   0.5312 L23:   0.0253                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0558 S12:  -0.3182 S13:  -0.1297                       
REMARK   3      S21:   0.3324 S22:  -0.0699 S23:  -0.3054                       
REMARK   3      S31:  -0.0700 S32:   0.1764 S33:   0.0249                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A): 158.7243   6.1958   2.6269              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1318 T22:   0.2665                                     
REMARK   3      T33:   0.3143 T12:  -0.0154                                     
REMARK   3      T13:  -0.0230 T23:  -0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.0935 L22:   5.2547                                     
REMARK   3      L33:   6.9061 L12:   1.4355                                     
REMARK   3      L13:   1.0238 L23:   3.5854                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2742 S12:   0.1610 S13:  -0.0228                       
REMARK   3      S21:   0.0459 S22:   0.2132 S23:  -0.6938                       
REMARK   3      S31:  -0.0911 S32:   1.1283 S33:  -0.2937                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 146.3720  -9.6433   2.6424              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1203 T22:   0.1373                                     
REMARK   3      T33:   0.2569 T12:   0.0027                                     
REMARK   3      T13:  -0.0586 T23:   0.0202                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4102 L22:   3.0217                                     
REMARK   3      L33:   2.5456 L12:  -0.5214                                     
REMARK   3      L13:  -0.0969 L23:  -1.1199                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0113 S12:  -0.0120 S13:  -0.5329                       
REMARK   3      S21:   0.0448 S22:  -0.0579 S23:  -0.2004                       
REMARK   3      S31:   0.2076 S32:   0.2694 S33:   0.0190                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 136.2127   6.6692  -2.6418              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1016 T22:   0.1028                                     
REMARK   3      T33:   0.1037 T12:  -0.0001                                     
REMARK   3      T13:  -0.0245 T23:   0.0258                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9782 L22:   4.0083                                     
REMARK   3      L33:   0.5635 L12:   0.6512                                     
REMARK   3      L13:  -0.0826 L23:   0.7986                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0218 S12:  -0.0609 S13:   0.0089                       
REMARK   3      S21:   0.1440 S22:  -0.0456 S23:  -0.2500                       
REMARK   3      S31:   0.0200 S32:   0.0030 S33:   0.0251                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 127.0513   6.1697  10.6897              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1317 T22:   0.1430                                     
REMARK   3      T33:   0.1412 T12:   0.0042                                     
REMARK   3      T13:  -0.0404 T23:   0.0195                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1583 L22:   2.1754                                     
REMARK   3      L33:   1.3206 L12:  -0.8085                                     
REMARK   3      L13:  -0.2422 L23:   0.9417                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0036 S12:  -0.1640 S13:   0.1082                       
REMARK   3      S21:   0.1542 S22:   0.0373 S23:  -0.3513                       
REMARK   3      S31:  -0.0738 S32:  -0.0112 S33:  -0.0305                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A): 117.4246  13.2393   8.0928              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1822 T22:   0.1471                                     
REMARK   3      T33:   0.0896 T12:  -0.0293                                     
REMARK   3      T13:  -0.0239 T23:   0.0168                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8816 L22:   4.1486                                     
REMARK   3      L33:   1.7690 L12:  -1.3050                                     
REMARK   3      L13:   1.0727 L23:  -2.3192                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2202 S12:  -0.0766 S13:   0.3140                       
REMARK   3      S21:   0.4680 S22:   0.0546 S23:  -0.0706                       
REMARK   3      S31:  -0.3732 S32:   0.0963 S33:   0.1627                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  52.0617  19.1905  40.3116              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1811 T22:   0.2631                                     
REMARK   3      T33:   0.2107 T12:  -0.0355                                     
REMARK   3      T13:   0.0126 T23:   0.1232                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9948 L22:   1.7677                                     
REMARK   3      L33:   0.8289 L12:  -0.5013                                     
REMARK   3      L13:  -0.4547 L23:   0.2473                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0538 S12:  -0.3443 S13:  -0.2527                       
REMARK   3      S21:   0.2453 S22:   0.0494 S23:   0.2368                       
REMARK   3      S31:   0.2017 S32:  -0.0433 S33:  -0.0681                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  44.2158  16.1597  35.5954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1127 T22:   0.1685                                     
REMARK   3      T33:   0.4404 T12:  -0.1658                                     
REMARK   3      T13:  -0.0423 T23:   0.1887                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9619 L22:   0.5525                                     
REMARK   3      L33:   0.5621 L12:   0.4146                                     
REMARK   3      L13:  -0.0055 L23:   0.0873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0856 S12:  -0.1970 S13:  -0.3713                       
REMARK   3      S21:   0.0866 S22:   0.0499 S23:   0.3106                       
REMARK   3      S31:   0.2769 S32:  -0.1805 S33:  -0.0488                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  29.0965  29.7241  28.3786              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1537 T22:   0.3307                                     
REMARK   3      T33:   0.6957 T12:  -0.0611                                     
REMARK   3      T13:  -0.0903 T23:   0.0964                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4692 L22:   1.5990                                     
REMARK   3      L33:   2.6729 L12:   0.4479                                     
REMARK   3      L13:   0.8810 L23:   1.9339                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1772 S12:  -0.2340 S13:   0.1413                       
REMARK   3      S21:  -0.1133 S22:  -0.2714 S23:   0.7504                       
REMARK   3      S31:   0.1872 S32:  -0.6438 S33:   0.0469                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  41.6358  28.6583  43.5667              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1334 T22:   0.3051                                     
REMARK   3      T33:   0.2972 T12:  -0.0051                                     
REMARK   3      T13:   0.0565 T23:   0.0795                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5849 L22:   1.2024                                     
REMARK   3      L33:   2.6372 L12:  -0.1746                                     
REMARK   3      L13:   0.2011 L23:   0.5092                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0745 S12:  -0.6234 S13:  -0.1468                       
REMARK   3      S21:   0.3150 S22:   0.0468 S23:   0.5963                       
REMARK   3      S31:   0.1891 S32:  -0.4036 S33:   0.0555                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  51.7065  34.9511  27.5800              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0871 T22:   0.1005                                     
REMARK   3      T33:   0.1042 T12:  -0.0183                                     
REMARK   3      T13:   0.0096 T23:   0.0268                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7954 L22:   0.6262                                     
REMARK   3      L33:   4.2074 L12:  -0.0460                                     
REMARK   3      L13:  -0.0042 L23:  -0.0078                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0334 S12:  -0.0762 S13:  -0.0616                       
REMARK   3      S21:   0.0367 S22:   0.0388 S23:   0.0685                       
REMARK   3      S31:   0.0760 S32:  -0.1497 S33:  -0.0704                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  61.0940  21.7143  27.4906              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0967 T22:   0.1146                                     
REMARK   3      T33:   0.1615 T12:  -0.0212                                     
REMARK   3      T13:  -0.0284 T23:   0.0347                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4584 L22:   1.1879                                     
REMARK   3      L33:   1.9103 L12:  -0.2943                                     
REMARK   3      L13:  -0.9257 L23:   0.7804                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0138 S12:   0.0802 S13:  -0.2483                       
REMARK   3      S21:  -0.0342 S22:  -0.0578 S23:   0.1387                       
REMARK   3      S31:   0.1306 S32:  -0.2358 S33:   0.0540                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  70.5362  24.6722  20.5361              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1875 T22:   0.1135                                     
REMARK   3      T33:   0.1085 T12:  -0.0232                                     
REMARK   3      T13:  -0.0009 T23:   0.0225                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5868 L22:   2.5714                                     
REMARK   3      L33:   3.0689 L12:   1.1947                                     
REMARK   3      L13:   0.5305 L23:  -2.2005                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1697 S12:   0.2790 S13:  -0.0394                       
REMARK   3      S21:  -0.3239 S22:   0.0901 S23:  -0.1408                       
REMARK   3      S31:   0.5008 S32:   0.0426 S33:   0.1319                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  60.9043  60.8618   6.2894              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1284 T22:   0.1396                                     
REMARK   3      T33:   0.1591 T12:  -0.0202                                     
REMARK   3      T13:   0.0024 T23:   0.0684                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0922 L22:   1.3964                                     
REMARK   3      L33:   0.6316 L12:  -1.0943                                     
REMARK   3      L13:   0.8028 L23:   0.2448                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0391 S12:   0.2920 S13:   0.4310                       
REMARK   3      S21:  -0.0112 S22:   0.1471 S23:  -0.1780                       
REMARK   3      S31:  -0.0540 S32:   0.0262 S33:  -0.1199                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  52.9541  65.7674   9.3992              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1430 T22:   0.1495                                     
REMARK   3      T33:   0.2901 T12:   0.0073                                     
REMARK   3      T13:  -0.0377 T23:   0.0876                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4208 L22:   1.3781                                     
REMARK   3      L33:   0.9729 L12:  -0.4333                                     
REMARK   3      L13:   0.4740 L23:  -0.3548                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1719 S12:   0.1019 S13:   0.5684                       
REMARK   3      S21:  -0.0239 S22:   0.0648 S23:   0.0928                       
REMARK   3      S31:  -0.1434 S32:  -0.0297 S33:   0.0425                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  34.0184  56.2530  13.1276              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1450 T22:   0.2726                                     
REMARK   3      T33:   0.3753 T12:   0.0319                                     
REMARK   3      T13:   0.0420 T23:   0.0383                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8001 L22:   6.6041                                     
REMARK   3      L33:   5.8363 L12:  -2.7838                                     
REMARK   3      L13:  -2.1628 L23:   1.8681                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1758 S12:  -0.0456 S13:   0.5607                       
REMARK   3      S21:   0.2112 S22:  -0.1109 S23:   0.5400                       
REMARK   3      S31:  -0.3230 S32:  -0.7797 S33:   0.0445                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  49.5481  53.9662   0.5261              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1682 T22:   0.2058                                     
REMARK   3      T33:   0.1672 T12:   0.0190                                     
REMARK   3      T13:  -0.0400 T23:   0.0456                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6048 L22:   2.3842                                     
REMARK   3      L33:   4.2102 L12:   0.7275                                     
REMARK   3      L13:  -0.9865 L23:  -0.2858                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1194 S12:   0.6307 S13:   0.3904                       
REMARK   3      S21:  -0.4030 S22:   0.0028 S23:   0.3328                       
REMARK   3      S31:  -0.1366 S32:  -0.2061 S33:   0.1147                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  54.0682  45.9198  18.2012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1025 T22:   0.0812                                     
REMARK   3      T33:   0.0816 T12:  -0.0021                                     
REMARK   3      T13:  -0.0084 T23:   0.0222                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2144 L22:   0.6653                                     
REMARK   3      L33:   3.1557 L12:  -0.1675                                     
REMARK   3      L13:  -0.6416 L23:   0.2743                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0271 S12:   0.0366 S13:   0.0656                       
REMARK   3      S21:  -0.0276 S22:   0.0176 S23:   0.0966                       
REMARK   3      S31:   0.0364 S32:  -0.0558 S33:   0.0035                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  65.7367  56.7469  20.7065              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0889 T22:   0.0998                                     
REMARK   3      T33:   0.1425 T12:   0.0225                                     
REMARK   3      T13:   0.0042 T23:   0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4768 L22:   1.5046                                     
REMARK   3      L33:   2.1518 L12:   0.5229                                     
REMARK   3      L13:   0.2118 L23:   0.3777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0720 S12:  -0.0951 S13:   0.2717                       
REMARK   3      S21:   0.1240 S22:  -0.0316 S23:   0.0424                       
REMARK   3      S31:  -0.2044 S32:  -0.1987 S33:  -0.0553                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  72.6942  51.8137  29.5582              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1454 T22:   0.1081                                     
REMARK   3      T33:   0.1115 T12:   0.0038                                     
REMARK   3      T13:   0.0141 T23:   0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6171 L22:   3.0080                                     
REMARK   3      L33:   4.7003 L12:  -0.6700                                     
REMARK   3      L13:  -0.1223 L23:  -1.1639                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0177 S12:  -0.2912 S13:  -0.0572                       
REMARK   3      S21:   0.4790 S22:   0.0195 S23:   0.0894                       
REMARK   3      S31:  -0.2128 S32:   0.2591 S33:   0.0105                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 2:35)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  87.1581  53.9342   5.0762              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1114 T22:   0.1455                                     
REMARK   3      T33:   0.1530 T12:   0.0054                                     
REMARK   3      T13:   0.0262 T23:   0.0649                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6487 L22:   1.3700                                     
REMARK   3      L33:   2.4076 L12:   1.0710                                     
REMARK   3      L13:  -0.5025 L23:   0.7838                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0492 S12:   0.1605 S13:   0.2351                       
REMARK   3      S21:  -0.1978 S22:  -0.0742 S23:  -0.3303                       
REMARK   3      S31:  -0.0748 S32:  -0.0267 S33:   0.0954                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 36:54)                           
REMARK   3    ORIGIN FOR THE GROUP (A): 101.1341  47.5107   4.0150              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1217 T22:   0.1599                                     
REMARK   3      T33:   0.2697 T12:  -0.0094                                     
REMARK   3      T13:   0.0776 T23:   0.0348                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3586 L22:   5.4099                                     
REMARK   3      L33:   2.5998 L12:  -2.6927                                     
REMARK   3      L13:   1.9385 L23:   0.5408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2230 S12:   0.3906 S13:   0.0599                       
REMARK   3      S21:  -0.3824 S22:  -0.0534 S23:  -0.2081                       
REMARK   3      S31:   0.0327 S32:   0.4133 S33:  -0.1541                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 55:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  96.2813  51.2714   2.7318              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1715 T22:   0.1945                                     
REMARK   3      T33:   0.2271 T12:   0.0535                                     
REMARK   3      T13:   0.1011 T23:   0.0489                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5937 L22:   1.3055                                     
REMARK   3      L33:   4.8660 L12:   0.8325                                     
REMARK   3      L13:   0.2934 L23:  -0.5950                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0157 S12:   0.3425 S13:   0.1279                       
REMARK   3      S21:  -0.2428 S22:   0.0114 S23:  -0.0945                       
REMARK   3      S31:  -0.2034 S32:   0.3394 S33:  -0.0347                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A): 110.6358  41.9312  16.2081              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1295 T22:   0.2388                                     
REMARK   3      T33:   0.3555 T12:   0.0259                                     
REMARK   3      T13:   0.0023 T23:  -0.0259                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6540 L22:   5.9156                                     
REMARK   3      L33:   7.3206 L12:  -1.8307                                     
REMARK   3      L13:  -1.3802 L23:   2.6345                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2904 S12:  -0.2378 S13:   0.0112                       
REMARK   3      S21:  -0.0946 S22:   0.0688 S23:  -0.7939                       
REMARK   3      S31:   0.1566 S32:   1.0251 S33:  -0.3092                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  98.3684  57.6390  16.2716              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1201 T22:   0.1314                                     
REMARK   3      T33:   0.2837 T12:  -0.0073                                     
REMARK   3      T13:   0.0485 T23:   0.0364                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4734 L22:   1.6143                                     
REMARK   3      L33:   1.9710 L12:   1.0474                                     
REMARK   3      L13:   0.1992 L23:  -0.8725                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0034 S12:   0.0338 S13:   0.5150                       
REMARK   3      S21:  -0.0674 S22:  -0.0456 S23:  -0.3024                       
REMARK   3      S31:  -0.2085 S32:   0.1680 S33:   0.0380                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  88.1400  41.4042  21.5904              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0830 T22:   0.1056                                     
REMARK   3      T33:   0.1168 T12:  -0.0051                                     
REMARK   3      T13:   0.0201 T23:   0.0202                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6367 L22:   4.4821                                     
REMARK   3      L33:   0.5232 L12:  -0.5704                                     
REMARK   3      L13:   0.0807 L23:   0.6852                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0133 S12:   0.0508 S13:  -0.0538                       
REMARK   3      S21:  -0.1441 S22:  -0.0320 S23:  -0.1613                       
REMARK   3      S31:  -0.0070 S32:   0.0066 S33:   0.0175                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 215:266)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  79.4691  39.4176   6.6872              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1402 T22:   0.1496                                     
REMARK   3      T33:   0.1505 T12:  -0.0037                                     
REMARK   3      T13:   0.0369 T23:   0.0225                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2530 L22:   2.9196                                     
REMARK   3      L33:   1.3761 L12:   1.0515                                     
REMARK   3      L13:   0.3543 L23:   1.6842                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0073 S12:   0.1751 S13:  -0.1643                       
REMARK   3      S21:  -0.1575 S22:   0.0563 S23:  -0.3626                       
REMARK   3      S31:   0.0434 S32:  -0.0384 S33:  -0.0346                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESSEQ 267:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  71.8268  42.6376  13.0158              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1123 T22:   0.1496                                     
REMARK   3      T33:   0.1018 T12:   0.0240                                     
REMARK   3      T13:   0.0118 T23:   0.0208                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3771 L22:   4.0843                                     
REMARK   3      L33:   1.2414 L12:   1.3181                                     
REMARK   3      L13:   0.6515 L23:   1.2161                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0219 S12:   0.0229 S13:  -0.0055                       
REMARK   3      S21:   0.0606 S22:   0.0650 S23:  -0.0204                       
REMARK   3      S31:   0.1054 S32:   0.0131 S33:  -0.0884                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 2:21)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  78.8681  18.7232  46.3034              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1368 T22:   0.1679                                     
REMARK   3      T33:   0.2752 T12:  -0.0300                                     
REMARK   3      T13:  -0.0536 T23:   0.1132                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1401 L22:   0.5526                                     
REMARK   3      L33:   0.9134 L12:  -0.5765                                     
REMARK   3      L13:  -0.3629 L23:  -0.2546                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0132 S12:  -0.1573 S13:  -0.3916                       
REMARK   3      S21:   0.0586 S22:   0.0162 S23:   0.0869                       
REMARK   3      S31:   0.0121 S32:  -0.1126 S33:  -0.0187                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 22:84)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  86.7313  21.5699  51.3843              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1839 T22:   0.1837                                     
REMARK   3      T33:   0.1782 T12:  -0.0360                                     
REMARK   3      T13:  -0.0902 T23:   0.0973                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0523 L22:   1.5544                                     
REMARK   3      L33:   0.8152 L12:  -0.1324                                     
REMARK   3      L13:   0.3415 L23:  -0.0334                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1488 S12:  -0.3290 S13:  -0.1726                       
REMARK   3      S21:   0.2366 S22:  -0.0015 S23:  -0.2987                       
REMARK   3      S31:   0.0290 S32:  -0.0445 S33:  -0.0015                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 85:105)                          
REMARK   3    ORIGIN FOR THE GROUP (A): 105.8228  26.0923  42.6122              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1484 T22:   0.1402                                     
REMARK   3      T33:   0.5321 T12:  -0.0097                                     
REMARK   3      T13:  -0.0814 T23:   0.0053                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5514 L22:   2.6371                                     
REMARK   3      L33:   5.6209 L12:   2.5357                                     
REMARK   3      L13:   1.2561 L23:   0.9348                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0260 S12:   0.1068 S13:   0.0893                       
REMARK   3      S21:   0.0651 S22:   0.0870 S23:  -0.4617                       
REMARK   3      S31:  -0.3901 S32:   0.4882 S33:  -0.0865                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 106:125)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  90.4354  13.4562  39.3015              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1295 T22:   0.1429                                     
REMARK   3      T33:   0.2525 T12:   0.0033                                     
REMARK   3      T13:  -0.0526 T23:   0.0369                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3180 L22:   4.2981                                     
REMARK   3      L33:   2.6846 L12:  -1.6569                                     
REMARK   3      L13:  -0.8521 L23:  -0.9455                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0411 S12:  -0.1561 S13:  -0.4719                       
REMARK   3      S21:  -0.0269 S22:   0.1528 S23:  -0.0779                       
REMARK   3      S31:   0.2274 S32:   0.2063 S33:  -0.1062                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 126:214)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  85.7842  31.4752  32.0450              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0948 T22:   0.1009                                     
REMARK   3      T33:   0.1007 T12:   0.0029                                     
REMARK   3      T13:  -0.0198 T23:   0.0257                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1646 L22:   4.1044                                     
REMARK   3      L33:   0.6603 L12:   1.1277                                     
REMARK   3      L13:   0.1223 L23:   0.3984                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0648 S12:  -0.1006 S13:  -0.1189                       
REMARK   3      S21:   0.1278 S22:  -0.0808 S23:  -0.1052                       
REMARK   3      S31:   0.0219 S32:  -0.0389 S33:   0.0122                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 215:277)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  73.9710  33.0939  42.8887              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1380 T22:   0.1610                                     
REMARK   3      T33:   0.0987 T12:  -0.0225                                     
REMARK   3      T13:  -0.0257 T23:   0.0460                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9281 L22:   3.0848                                     
REMARK   3      L33:   0.3691 L12:   0.0020                                     
REMARK   3      L13:   0.0441 L23:   0.9634                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1117 S12:  -0.1735 S13:  -0.0361                       
REMARK   3      S21:   0.1990 S22:  -0.1047 S23:  -0.0551                       
REMARK   3      S31:   0.0057 S32:  -0.1152 S33:   0.0033                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESSEQ 278:295)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  67.0842  42.3930  38.4662              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1439 T22:   0.1342                                     
REMARK   3      T33:   0.0818 T12:  -0.0382                                     
REMARK   3      T13:   0.0089 T23:   0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5108 L22:   2.4846                                     
REMARK   3      L33:   5.2252 L12:   1.1912                                     
REMARK   3      L13:   0.7956 L23:  -2.9682                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0870 S12:  -0.1352 S13:   0.4150                       
REMARK   3      S21:   0.2863 S22:  -0.1360 S23:   0.0980                       
REMARK   3      S31:  -0.3106 S32:   0.1661 S33:   0.0093                       
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 4Q9N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAY-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000085778.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-MAR-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 22-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL                     
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 218541                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.12200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.4000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.85                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.61600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER 2.5.1                                          
REMARK 200 STARTING MODEL: PDB ENTRY 1EN0                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.22                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.38                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HEPES, 28% PEG300, 0.2M            
REMARK 280  POTASSIUM FORMATE, PH 7.5, VAPOR DIFFUSION, HANGING DROP,           
REMARK 280  TEMPERATURE 291K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y,X,Z+3/4                                              
REMARK 290       4555   Y,-X,Z+1/4                                              
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      131.54100            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      197.31150            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       65.77050            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 22080 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 37220 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -155.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 22150 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 37070 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -152.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     PRO A   296                                                      
REMARK 465     LYS A   297                                                      
REMARK 465     ASP A   298                                                      
REMARK 465     PRO B   296                                                      
REMARK 465     LYS B   297                                                      
REMARK 465     ASP B   298                                                      
REMARK 465     PRO C   296                                                      
REMARK 465     LYS C   297                                                      
REMARK 465     ASP C   298                                                      
REMARK 465     PRO D   296                                                      
REMARK 465     LYS D   297                                                      
REMARK 465     ASP D   298                                                      
REMARK 465     PRO E   296                                                      
REMARK 465     LYS E   297                                                      
REMARK 465     ASP E   298                                                      
REMARK 465     PRO F   296                                                      
REMARK 465     LYS F   297                                                      
REMARK 465     ASP F   298                                                      
REMARK 465     PRO G   296                                                      
REMARK 465     LYS G   297                                                      
REMARK 465     ASP G   298                                                      
REMARK 465     PRO H   296                                                      
REMARK 465     LYS H   297                                                      
REMARK 465     ASP H   298                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     MET A   1    CG   SD   CE                                        
REMARK 470     LYS A   3    CG   CD   CE   NZ                                   
REMARK 470     LYS A  47    CG   CD   CE   NZ                                   
REMARK 470     GLU A 293    CG   CD   OE1  OE2                                  
REMARK 470     MET B   1    CG   SD   CE                                        
REMARK 470     GLN B  51    CG   CD   OE1  NE2                                  
REMARK 470     GLU B  91    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 229    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU B 293    CG   CD   OE1  OE2                                  
REMARK 470     MET C   1    CG   SD   CE                                        
REMARK 470     GLU C 293    CG   CD   OE1  OE2                                  
REMARK 470     MET D   1    CG   SD   CE                                        
REMARK 470     GLU D  94    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 293    CG   CD   OE1  OE2                                  
REMARK 470     MET E   1    CG   SD   CE                                        
REMARK 470     GLN E  51    CG   CD   OE1  NE2                                  
REMARK 470     GLU E  91    CG   CD   OE1  OE2                                  
REMARK 470     GLU E  94    CG   CD   OE1  OE2                                  
REMARK 470     ARG E 229    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU E 293    CG   CD   OE1  OE2                                  
REMARK 470     MET F   1    CG   SD   CE                                        
REMARK 470     GLU F 293    CG   CD   OE1  OE2                                  
REMARK 470     MET G   1    CG   SD   CE                                        
REMARK 470     GLU G  94    CG   CD   OE1  OE2                                  
REMARK 470     ARG G 239    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU G 293    CG   CD   OE1  OE2                                  
REMARK 470     MET H   1    CG   SD   CE                                        
REMARK 470     ARG H 239    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU H 293    CG   CD   OE1  OE2                                  
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   O    HOH E   421     O    HOH E   472              2.17            
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    PRO C 292   C   -  N   -  CA  ANGL. DEV. =   9.5 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    ASP A  18     -167.85   -162.45                                   
REMARK 500    PHE A 236       20.96   -145.56                                   
REMARK 500    ASP A 282       24.76   -144.72                                   
REMARK 500    ASP B  18     -165.88   -165.90                                   
REMARK 500    SER B 153      -58.42   -122.95                                   
REMARK 500    PHE B 236       19.76   -145.15                                   
REMARK 500    ASP B 282       24.15   -146.77                                   
REMARK 500    MET B 294     -105.51    -96.98                                   
REMARK 500    ASP C  18     -162.97   -171.52                                   
REMARK 500    SER C 153      -54.71   -123.10                                   
REMARK 500    PHE C 236       28.93   -144.10                                   
REMARK 500    ASP C 282       23.72   -148.47                                   
REMARK 500    ASP D  18     -169.48   -168.21                                   
REMARK 500    PHE D 236       30.31   -142.34                                   
REMARK 500    ASP D 282       24.25   -148.29                                   
REMARK 500    ASP E  18     -166.39   -164.71                                   
REMARK 500    ALA E 128      144.32   -171.15                                   
REMARK 500    SER E 153      -55.79   -121.39                                   
REMARK 500    PHE E 236       23.59   -150.11                                   
REMARK 500    ASP E 282       24.13   -147.27                                   
REMARK 500    ASP F  18     -163.91   -167.19                                   
REMARK 500    SER F 153      -59.85   -121.87                                   
REMARK 500    PHE F 236       20.84   -147.66                                   
REMARK 500    ASP F 282       25.99   -145.30                                   
REMARK 500    SER G 153      -53.12   -120.30                                   
REMARK 500    PHE G 236       28.21   -146.40                                   
REMARK 500    ASP G 282       23.53   -150.96                                   
REMARK 500    ASP H  18     -163.60   -170.00                                   
REMARK 500    PHE H 236       31.82   -145.06                                   
REMARK 500    ASP H 282       23.49   -145.87                                   
REMARK 500    GLU H 293      -21.01   -150.89                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI B 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE B 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI C 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE C 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI D 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE D 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI E 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE E 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI F 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE F 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI G 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE G 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAI H 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0WE H 302                 
DBREF  4Q9N A    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N B    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N C    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N D    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N E    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N F    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N G    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
DBREF  4Q9N H    1   298  UNP    T1TQB5   T1TQB5_CHLTH     1    298             
SEQRES   1 A  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 A  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 A  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 A  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 A  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 A  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 A  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 A  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 A  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 A  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 A  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 A  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 A  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 A  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 A  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 A  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 A  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 A  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 A  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 A  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 A  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 A  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 A  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 B  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 B  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 B  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 B  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 B  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 B  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 B  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 B  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 B  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 B  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 B  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 B  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 B  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 B  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 B  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 B  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 B  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 B  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 B  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 B  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 B  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 B  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 B  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 C  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 C  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 C  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 C  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 C  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 C  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 C  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 C  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 C  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 C  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 C  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 C  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 C  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 C  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 C  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 C  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 C  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 C  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 C  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 C  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 C  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 C  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 C  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 D  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 D  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 D  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 D  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 D  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 D  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 D  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 D  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 D  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 D  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 D  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 D  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 D  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 D  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 D  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 D  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 D  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 D  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 D  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 D  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 D  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 D  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 D  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 E  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 E  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 E  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 E  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 E  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 E  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 E  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 E  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 E  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 E  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 E  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 E  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 E  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 E  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 E  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 E  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 E  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 E  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 E  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 E  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 E  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 E  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 E  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 F  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 F  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 F  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 F  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 F  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 F  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 F  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 F  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 F  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 F  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 F  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 F  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 F  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 F  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 F  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 F  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 F  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 F  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 F  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 F  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 F  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 F  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 F  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 G  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 G  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 G  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 G  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 G  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 G  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 G  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 G  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 G  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 G  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 G  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 G  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 G  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 G  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 G  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 G  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 G  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 G  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 G  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 G  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 G  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 G  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 G  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
SEQRES   1 H  298  MET LEU LYS ILE ASP LEU THR GLY LYS ILE ALA PHE ILE          
SEQRES   2 H  298  ALA GLY ILE GLY ASP ASP ASN GLY TYR GLY TRP GLY ILE          
SEQRES   3 H  298  ALA LYS MET LEU ALA GLU ALA GLY ALA THR ILE LEU VAL          
SEQRES   4 H  298  GLY THR TRP VAL PRO ILE TYR LYS ILE PHE SER GLN SER          
SEQRES   5 H  298  LEU GLU LEU GLY LYS PHE ASN ALA SER ARG GLU LEU SER          
SEQRES   6 H  298  ASN GLY GLU LEU LEU THR PHE ALA LYS ILE TYR PRO MET          
SEQRES   7 H  298  ASP ALA SER PHE ASP THR PRO GLU ASP ILE PRO GLN GLU          
SEQRES   8 H  298  ILE LEU GLU ASN LYS ARG TYR LYS ASP LEU SER GLY TYR          
SEQRES   9 H  298  THR VAL SER GLU VAL VAL GLU GLN VAL LYS LYS HIS PHE          
SEQRES  10 H  298  GLY HIS ILE ASP ILE LEU VAL HIS SER LEU ALA ASN SER          
SEQRES  11 H  298  PRO GLU ILE ALA LYS PRO LEU LEU ASP THR SER ARG LYS          
SEQRES  12 H  298  GLY TYR LEU ALA ALA LEU SER THR SER SER TYR SER PHE          
SEQRES  13 H  298  ILE SER LEU LEU SER HIS PHE GLY PRO ILE MET ASN ALA          
SEQRES  14 H  298  GLY ALA SER THR ILE SER LEU THR TYR LEU ALA SER MET          
SEQRES  15 H  298  ARG ALA VAL PRO GLY TYR GLY GLY GLY MET ASN ALA ALA          
SEQRES  16 H  298  LYS ALA ALA LEU GLU SER ASP THR LYS VAL LEU ALA TRP          
SEQRES  17 H  298  GLU ALA GLY ARG ARG TRP GLY VAL ARG VAL ASN THR ILE          
SEQRES  18 H  298  SER ALA GLY PRO LEU ALA SER ARG ALA GLY LYS ALA ILE          
SEQRES  19 H  298  GLY PHE ILE GLU ARG MET VAL ASP TYR TYR GLN ASP TRP          
SEQRES  20 H  298  ALA PRO LEU PRO SER PRO MET GLU ALA GLU GLN VAL GLY          
SEQRES  21 H  298  ALA ALA ALA ALA PHE LEU VAL SER PRO LEU ALA SER ALA          
SEQRES  22 H  298  ILE THR GLY GLU THR LEU TYR VAL ASP HIS GLY ALA ASN          
SEQRES  23 H  298  VAL MET GLY ILE GLY PRO GLU MET PHE PRO LYS ASP              
HET    NAI  A 301      44                                                       
HET    0WE  A 302      28                                                       
HET    NAI  B 301      44                                                       
HET    0WE  B 302      28                                                       
HET    NAI  C 301      44                                                       
HET    0WE  C 302      28                                                       
HET    NAI  D 301      44                                                       
HET    0WE  D 302      28                                                       
HET    NAI  E 301      44                                                       
HET    0WE  E 302      28                                                       
HET    NAI  F 301      44                                                       
HET    0WE  F 302      28                                                       
HET    NAI  G 301      44                                                       
HET    0WE  G 302      28                                                       
HET    NAI  H 301      44                                                       
HET    0WE  H 302      28                                                       
HETNAM     NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE                     
HETNAM     0WE N-METHYL-N-[(3-METHYL-1-BENZOFURAN-2-YL)METHYL]-3-(7-            
HETNAM   2 0WE  OXO-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-3-YL)                   
HETNAM   3 0WE  PROPANAMIDE                                                     
HETSYN     NAI NADH                                                             
FORMUL   9  NAI    8(C21 H29 N7 O14 P2)                                         
FORMUL  10  0WE    8(C22 H23 N3 O3)                                             
FORMUL  25  HOH   *956(H2 O)                                                    
HELIX    1   1 GLY A   21  ALA A   33  1                                  13    
HELIX    2   2 VAL A   43  LEU A   55  1                                  13    
HELIX    3   3 PHE A   58  ARG A   62  5                                   5    
HELIX    4   4 THR A   84  ILE A   88  5                                   5    
HELIX    5   5 PRO A   89  GLU A   94  1                                   6    
HELIX    6   6 ASN A   95  ASP A  100  1                                   6    
HELIX    7   7 THR A  105  GLY A  118  1                                  14    
HELIX    8   8 PRO A  136  THR A  140  5                                   5    
HELIX    9   9 SER A  141  SER A  153  1                                  13    
HELIX   10  10 SER A  153  GLY A  164  1                                  12    
HELIX   11  11 TYR A  178  MET A  182  5                                   5    
HELIX   12  12 GLY A  191  GLY A  215  1                                  25    
HELIX   13  13 SER A  228  GLY A  235  1                                   8    
HELIX   14  14 PHE A  236  ALA A  248  1                                  13    
HELIX   15  15 GLU A  255  SER A  268  1                                  14    
HELIX   16  16 PRO A  269  SER A  272  5                                   4    
HELIX   17  17 GLY A  284  MET A  288  5                                   5    
HELIX   18  18 GLY A  291  PHE A  295  5                                   5    
HELIX   19  19 GLY B   21  ALA B   33  1                                  13    
HELIX   20  20 VAL B   43  LEU B   55  1                                  13    
HELIX   21  21 PHE B   58  ARG B   62  5                                   5    
HELIX   22  22 THR B   84  ILE B   88  5                                   5    
HELIX   23  23 PRO B   89  GLU B   94  1                                   6    
HELIX   24  24 THR B  105  GLY B  118  1                                  14    
HELIX   25  25 PRO B  136  THR B  140  5                                   5    
HELIX   26  26 SER B  141  SER B  153  1                                  13    
HELIX   27  27 SER B  153  GLY B  164  1                                  12    
HELIX   28  28 TYR B  178  MET B  182  5                                   5    
HELIX   29  29 GLY B  191  GLY B  215  1                                  25    
HELIX   30  30 SER B  228  ILE B  234  1                                   7    
HELIX   31  31 PHE B  236  ALA B  248  1                                  13    
HELIX   32  32 GLU B  255  SER B  268  1                                  14    
HELIX   33  33 PRO B  269  SER B  272  5                                   4    
HELIX   34  34 GLY B  284  MET B  288  5                                   5    
HELIX   35  35 GLY C   21  ALA C   33  1                                  13    
HELIX   36  36 VAL C   43  LEU C   55  1                                  13    
HELIX   37  37 PHE C   58  GLU C   63  1                                   6    
HELIX   38  38 THR C   84  ILE C   88  5                                   5    
HELIX   39  39 PRO C   89  GLU C   94  1                                   6    
HELIX   40  40 ASN C   95  ASP C  100  1                                   6    
HELIX   41  41 THR C  105  GLY C  118  1                                  14    
HELIX   42  42 PRO C  136  THR C  140  5                                   5    
HELIX   43  43 SER C  141  SER C  153  1                                  13    
HELIX   44  44 SER C  153  GLY C  164  1                                  12    
HELIX   45  45 TYR C  178  MET C  182  5                                   5    
HELIX   46  46 GLY C  191  GLY C  215  1                                  25    
HELIX   47  47 SER C  228  ILE C  234  1                                   7    
HELIX   48  48 PHE C  236  ALA C  248  1                                  13    
HELIX   49  49 GLU C  255  SER C  268  1                                  14    
HELIX   50  50 PRO C  269  SER C  272  5                                   4    
HELIX   51  51 GLY C  284  MET C  288  5                                   5    
HELIX   52  52 GLY C  291  PHE C  295  5                                   5    
HELIX   53  53 GLY D   21  GLY D   34  1                                  14    
HELIX   54  54 VAL D   43  GLY D   56  1                                  14    
HELIX   55  55 PHE D   58  GLU D   63  1                                   6    
HELIX   56  56 THR D   84  ILE D   88  5                                   5    
HELIX   57  57 PRO D   89  ASN D   95  1                                   7    
HELIX   58  58 ASN D   95  ASP D  100  1                                   6    
HELIX   59  59 THR D  105  GLY D  118  1                                  14    
HELIX   60  60 PRO D  136  THR D  140  5                                   5    
HELIX   61  61 SER D  141  SER D  153  1                                  13    
HELIX   62  62 SER D  153  GLY D  164  1                                  12    
HELIX   63  63 TYR D  178  MET D  182  5                                   5    
HELIX   64  64 GLY D  191  GLY D  215  1                                  25    
HELIX   65  65 SER D  228  ILE D  234  1                                   7    
HELIX   66  66 PHE D  236  ALA D  248  1                                  13    
HELIX   67  67 GLU D  255  SER D  268  1                                  14    
HELIX   68  68 PRO D  269  SER D  272  5                                   4    
HELIX   69  69 GLY D  284  MET D  288  5                                   5    
HELIX   70  70 GLY D  291  PHE D  295  5                                   5    
HELIX   71  71 GLY E   21  ALA E   33  1                                  13    
HELIX   72  72 VAL E   43  LEU E   55  1                                  13    
HELIX   73  73 PHE E   58  ARG E   62  5                                   5    
HELIX   74  74 THR E   84  ILE E   88  5                                   5    
HELIX   75  75 PRO E   89  GLU E   94  1                                   6    
HELIX   76  76 ASN E   95  ASP E  100  1                                   6    
HELIX   77  77 THR E  105  GLY E  118  1                                  14    
HELIX   78  78 PRO E  136  THR E  140  5                                   5    
HELIX   79  79 SER E  141  SER E  153  1                                  13    
HELIX   80  80 SER E  153  GLY E  164  1                                  12    
HELIX   81  81 TYR E  178  MET E  182  5                                   5    
HELIX   82  82 GLY E  191  GLY E  215  1                                  25    
HELIX   83  83 SER E  228  ILE E  234  1                                   7    
HELIX   84  84 PHE E  236  ALA E  248  1                                  13    
HELIX   85  85 GLU E  255  SER E  268  1                                  14    
HELIX   86  86 PRO E  269  SER E  272  5                                   4    
HELIX   87  87 GLY E  284  MET E  288  5                                   5    
HELIX   88  88 GLY E  291  PHE E  295  5                                   5    
HELIX   89  89 GLY F   21  ALA F   33  1                                  13    
HELIX   90  90 VAL F   43  LEU F   55  1                                  13    
HELIX   91  91 PHE F   58  ARG F   62  5                                   5    
HELIX   92  92 THR F   84  ILE F   88  5                                   5    
HELIX   93  93 PRO F   89  GLU F   94  1                                   6    
HELIX   94  94 ASN F   95  ASP F  100  1                                   6    
HELIX   95  95 THR F  105  GLY F  118  1                                  14    
HELIX   96  96 PRO F  136  THR F  140  5                                   5    
HELIX   97  97 SER F  141  SER F  153  1                                  13    
HELIX   98  98 SER F  153  GLY F  164  1                                  12    
HELIX   99  99 TYR F  178  MET F  182  5                                   5    
HELIX  100 100 GLY F  191  GLY F  215  1                                  25    
HELIX  101 101 SER F  228  GLY F  235  1                                   8    
HELIX  102 102 PHE F  236  ALA F  248  1                                  13    
HELIX  103 103 GLU F  255  SER F  268  1                                  14    
HELIX  104 104 PRO F  269  SER F  272  5                                   4    
HELIX  105 105 GLY F  284  MET F  288  5                                   5    
HELIX  106 106 GLY F  291  PHE F  295  5                                   5    
HELIX  107 107 GLY G   21  ALA G   33  1                                  13    
HELIX  108 108 VAL G   43  GLY G   56  1                                  14    
HELIX  109 109 PHE G   58  GLU G   63  5                                   6    
HELIX  110 110 THR G   84  ILE G   88  5                                   5    
HELIX  111 111 PRO G   89  GLU G   94  1                                   6    
HELIX  112 112 ASN G   95  ASP G  100  1                                   6    
HELIX  113 113 THR G  105  GLY G  118  1                                  14    
HELIX  114 114 PRO G  136  THR G  140  5                                   5    
HELIX  115 115 SER G  141  SER G  153  1                                  13    
HELIX  116 116 SER G  153  GLY G  164  1                                  12    
HELIX  117 117 TYR G  178  MET G  182  5                                   5    
HELIX  118 118 GLY G  191  GLY G  215  1                                  25    
HELIX  119 119 SER G  228  GLY G  235  1                                   8    
HELIX  120 120 PHE G  236  ALA G  248  1                                  13    
HELIX  121 121 GLU G  255  VAL G  267  1                                  13    
HELIX  122 122 SER G  268  SER G  272  5                                   5    
HELIX  123 123 GLY G  284  MET G  288  5                                   5    
HELIX  124 124 GLY G  291  PHE G  295  5                                   5    
HELIX  125 125 GLY H   21  ALA H   33  1                                  13    
HELIX  126 126 VAL H   43  LEU H   55  1                                  13    
HELIX  127 127 PHE H   58  GLU H   63  1                                   6    
HELIX  128 128 THR H   84  ILE H   88  5                                   5    
HELIX  129 129 PRO H   89  GLU H   94  1                                   6    
HELIX  130 130 ASN H   95  ASP H  100  1                                   6    
HELIX  131 131 THR H  105  GLY H  118  1                                  14    
HELIX  132 132 PRO H  136  THR H  140  5                                   5    
HELIX  133 133 SER H  141  SER H  153  1                                  13    
HELIX  134 134 SER H  153  GLY H  164  1                                  12    
HELIX  135 135 TYR H  178  MET H  182  5                                   5    
HELIX  136 136 GLY H  191  GLY H  215  1                                  25    
HELIX  137 137 SER H  228  ILE H  234  1                                   7    
HELIX  138 138 PHE H  236  ALA H  248  1                                  13    
HELIX  139 139 GLU H  255  VAL H  267  1                                  13    
HELIX  140 140 SER H  268  SER H  272  5                                   5    
HELIX  141 141 GLY H  284  MET H  288  5                                   5    
SHEET    1   A 7 LYS A  74  MET A  78  0                                        
SHEET    2   A 7 THR A  36  TRP A  42  1  N  VAL A  39   O  TYR A  76           
SHEET    3   A 7 ILE A  10  ALA A  14  1  N  ALA A  11   O  LEU A  38           
SHEET    4   A 7 ILE A 120  HIS A 125  1  O  VAL A 124   N  ALA A  14           
SHEET    5   A 7 MET A 167  THR A 177  1  O  ILE A 174   N  HIS A 125           
SHEET    6   A 7 ARG A 217  ALA A 223  1  O  ILE A 221   N  SER A 175           
SHEET    7   A 7 THR A 278  VAL A 281  1  O  VAL A 281   N  SER A 222           
SHEET    1   B 7 PHE B  72  MET B  78  0                                        
SHEET    2   B 7 THR B  36  TRP B  42  1  N  VAL B  39   O  TYR B  76           
SHEET    3   B 7 ILE B  10  ALA B  14  1  N  ALA B  11   O  LEU B  38           
SHEET    4   B 7 ILE B 120  HIS B 125  1  O  ASP B 121   N  ILE B  10           
SHEET    5   B 7 MET B 167  THR B 177  1  O  ILE B 174   N  HIS B 125           
SHEET    6   B 7 ARG B 217  ALA B 223  1  O  ILE B 221   N  THR B 177           
SHEET    7   B 7 THR B 278  VAL B 281  1  O  VAL B 281   N  SER B 222           
SHEET    1   C 7 PHE C  72  MET C  78  0                                        
SHEET    2   C 7 THR C  36  TRP C  42  1  N  VAL C  39   O  TYR C  76           
SHEET    3   C 7 ILE C  10  ALA C  14  1  N  ILE C  13   O  LEU C  38           
SHEET    4   C 7 ILE C 120  HIS C 125  1  O  ASP C 121   N  ILE C  10           
SHEET    5   C 7 MET C 167  THR C 177  1  O  ILE C 174   N  HIS C 125           
SHEET    6   C 7 ARG C 217  ALA C 223  1  O  ILE C 221   N  THR C 177           
SHEET    7   C 7 THR C 278  VAL C 281  1  O  VAL C 281   N  SER C 222           
SHEET    1   D 7 PHE D  72  MET D  78  0                                        
SHEET    2   D 7 THR D  36  TRP D  42  1  N  VAL D  39   O  TYR D  76           
SHEET    3   D 7 ILE D  10  ALA D  14  1  N  ALA D  11   O  LEU D  38           
SHEET    4   D 7 ILE D 120  HIS D 125  1  O  VAL D 124   N  ALA D  14           
SHEET    5   D 7 MET D 167  THR D 177  1  O  ILE D 174   N  HIS D 125           
SHEET    6   D 7 ARG D 217  ALA D 223  1  O  ILE D 221   N  THR D 177           
SHEET    7   D 7 THR D 278  VAL D 281  1  O  LEU D 279   N  THR D 220           
SHEET    1   E 7 PHE E  72  MET E  78  0                                        
SHEET    2   E 7 THR E  36  TRP E  42  1  N  VAL E  39   O  TYR E  76           
SHEET    3   E 7 ILE E  10  ALA E  14  1  N  ILE E  13   O  LEU E  38           
SHEET    4   E 7 ILE E 120  HIS E 125  1  O  VAL E 124   N  ALA E  14           
SHEET    5   E 7 MET E 167  THR E 177  1  O  ILE E 174   N  HIS E 125           
SHEET    6   E 7 ARG E 217  ALA E 223  1  O  ILE E 221   N  THR E 177           
SHEET    7   E 7 THR E 278  VAL E 281  1  O  LEU E 279   N  THR E 220           
SHEET    1   F 2 LEU F   2  LYS F   3  0                                        
SHEET    2   F 2 LYS G   3  ILE G   4 -1  O  ILE G   4   N  LEU F   2           
SHEET    1   G 7 LYS F  74  MET F  78  0                                        
SHEET    2   G 7 THR F  36  TRP F  42  1  N  VAL F  39   O  TYR F  76           
SHEET    3   G 7 ILE F  10  ALA F  14  1  N  ALA F  11   O  LEU F  38           
SHEET    4   G 7 ILE F 120  HIS F 125  1  O  VAL F 124   N  PHE F  12           
SHEET    5   G 7 MET F 167  THR F 177  1  O  ILE F 174   N  HIS F 125           
SHEET    6   G 7 ARG F 217  ALA F 223  1  O  ILE F 221   N  SER F 175           
SHEET    7   G 7 THR F 278  VAL F 281  1  O  VAL F 281   N  SER F 222           
SHEET    1   H 7 PHE G  72  MET G  78  0                                        
SHEET    2   H 7 THR G  36  TRP G  42  1  N  VAL G  39   O  TYR G  76           
SHEET    3   H 7 ILE G  10  ALA G  14  1  N  ALA G  11   O  LEU G  38           
SHEET    4   H 7 ILE G 120  HIS G 125  1  O  VAL G 124   N  ALA G  14           
SHEET    5   H 7 MET G 167  THR G 177  1  O  ILE G 174   N  HIS G 125           
SHEET    6   H 7 ARG G 217  ALA G 223  1  O  ILE G 221   N  THR G 177           
SHEET    7   H 7 THR G 278  VAL G 281  1  O  VAL G 281   N  SER G 222           
SHEET    1   I 7 PHE H  72  MET H  78  0                                        
SHEET    2   I 7 THR H  36  TRP H  42  1  N  VAL H  39   O  TYR H  76           
SHEET    3   I 7 ILE H  10  ALA H  14  1  N  ALA H  11   O  LEU H  38           
SHEET    4   I 7 ILE H 120  HIS H 125  1  O  ASP H 121   N  ILE H  10           
SHEET    5   I 7 MET H 167  THR H 177  1  O  ILE H 174   N  HIS H 125           
SHEET    6   I 7 ARG H 217  ALA H 223  1  O  ILE H 221   N  THR H 177           
SHEET    7   I 7 THR H 278  VAL H 281  1  O  VAL H 281   N  SER H 222           
SITE     1 AC1 29 GLY A  17  GLY A  21  TYR A  22  TRP A  42                    
SITE     2 AC1 29 ILE A  45  ASP A  79  ALA A  80  SER A  81                    
SITE     3 AC1 29 SER A 126  LEU A 127  ALA A 128  THR A 151                    
SITE     4 AC1 29 LEU A 176  THR A 177  LYS A 196  ALA A 223                    
SITE     5 AC1 29 GLY A 224  PRO A 225  LEU A 226  SER A 228                    
SITE     6 AC1 29 ARG A 229  ALA A 230  0WE A 302  HOH A 408                    
SITE     7 AC1 29 HOH A 420  HOH A 425  HOH A 468  HOH A 472                    
SITE     8 AC1 29 HOH A 482                                                     
SITE     1 AC2 11 ASN A 129  SER A 130  ILE A 133  TYR A 178                    
SITE     2 AC2 11 GLY A 187  TYR A 188  ALA A 230  ALA A 233                    
SITE     3 AC2 11 ILE A 234  PHE A 236  NAI A 301                               
SITE     1 AC3 28 GLY B  17  GLY B  21  TYR B  22  TRP B  42                    
SITE     2 AC3 28 ASP B  79  ALA B  80  SER B  81  SER B 126                    
SITE     3 AC3 28 LEU B 127  ALA B 128  THR B 151  LEU B 176                    
SITE     4 AC3 28 THR B 177  LYS B 196  ALA B 223  GLY B 224                    
SITE     5 AC3 28 PRO B 225  LEU B 226  SER B 228  ARG B 229                    
SITE     6 AC3 28 ALA B 230  0WE B 302  HOH B 405  HOH B 412                    
SITE     7 AC3 28 HOH B 434  HOH B 436  HOH B 474  HOH B 501                    
SITE     1 AC4 12 ASN B 129  SER B 130  ILE B 133  TYR B 178                    
SITE     2 AC4 12 GLY B 187  TYR B 188  ALA B 230  ALA B 233                    
SITE     3 AC4 12 ILE B 234  PHE B 236  NAI B 301  HOH B 485                    
SITE     1 AC5 28 GLY C  21  TYR C  22  TRP C  42  ASP C  79                    
SITE     2 AC5 28 ALA C  80  SER C  81  SER C 126  LEU C 127                    
SITE     3 AC5 28 ALA C 128  THR C 151  LEU C 176  THR C 177                    
SITE     4 AC5 28 LYS C 196  ALA C 223  GLY C 224  PRO C 225                    
SITE     5 AC5 28 LEU C 226  SER C 228  ARG C 229  ALA C 230                    
SITE     6 AC5 28 0WE C 302  HOH C 411  HOH C 415  HOH C 432                    
SITE     7 AC5 28 HOH C 449  HOH C 453  HOH C 486  HOH C 488                    
SITE     1 AC6 12 ASN C 129  SER C 130  ILE C 133  TYR C 178                    
SITE     2 AC6 12 VAL C 185  GLY C 187  TYR C 188  ALA C 230                    
SITE     3 AC6 12 ALA C 233  ILE C 234  PHE C 236  NAI C 301                    
SITE     1 AC7 27 GLY D  17  GLY D  21  TYR D  22  TRP D  42                    
SITE     2 AC7 27 ILE D  45  ASP D  79  ALA D  80  SER D  81                    
SITE     3 AC7 27 SER D 126  LEU D 127  ALA D 128  THR D 151                    
SITE     4 AC7 27 LEU D 176  THR D 177  LYS D 196  ALA D 223                    
SITE     5 AC7 27 GLY D 224  PRO D 225  LEU D 226  SER D 228                    
SITE     6 AC7 27 ARG D 229  ALA D 230  0WE D 302  HOH D 402                    
SITE     7 AC7 27 HOH D 411  HOH D 468  HOH D 499                               
SITE     1 AC8 10 ASN D 129  SER D 130  ILE D 133  TYR D 178                    
SITE     2 AC8 10 GLY D 187  TYR D 188  ALA D 230  ALA D 233                    
SITE     3 AC8 10 PHE D 236  NAI D 301                                          
SITE     1 AC9 27 GLY E  17  GLY E  21  TYR E  22  TRP E  42                    
SITE     2 AC9 27 ASP E  79  ALA E  80  SER E  81  SER E 126                    
SITE     3 AC9 27 LEU E 127  ALA E 128  THR E 151  LEU E 176                    
SITE     4 AC9 27 THR E 177  LYS E 196  ALA E 223  GLY E 224                    
SITE     5 AC9 27 PRO E 225  LEU E 226  SER E 228  ARG E 229                    
SITE     6 AC9 27 ALA E 230  0WE E 302  HOH E 404  HOH E 423                    
SITE     7 AC9 27 HOH E 429  HOH E 455  HOH E 457                               
SITE     1 BC1 10 ASN E 129  SER E 130  ILE E 133  TYR E 178                    
SITE     2 BC1 10 GLY E 187  TYR E 188  ALA E 230  ILE E 234                    
SITE     3 BC1 10 PHE E 236  NAI E 301                                          
SITE     1 BC2 28 GLY F  17  GLY F  21  TYR F  22  TRP F  42                    
SITE     2 BC2 28 ILE F  45  ASP F  79  ALA F  80  SER F  81                    
SITE     3 BC2 28 SER F 126  LEU F 127  ALA F 128  THR F 151                    
SITE     4 BC2 28 LEU F 176  THR F 177  LYS F 196  ALA F 223                    
SITE     5 BC2 28 GLY F 224  PRO F 225  LEU F 226  SER F 228                    
SITE     6 BC2 28 ALA F 230  0WE F 302  HOH F 402  HOH F 413                    
SITE     7 BC2 28 HOH F 454  HOH F 478  HOH F 488  HOH F 496                    
SITE     1 BC3 12 ASN F 129  SER F 130  ILE F 133  TYR F 178                    
SITE     2 BC3 12 GLY F 187  TYR F 188  ALA F 230  ALA F 233                    
SITE     3 BC3 12 ILE F 234  PHE F 236  NAI F 301  HOH F 494                    
SITE     1 BC4 29 GLY G  17  GLY G  21  TYR G  22  TRP G  42                    
SITE     2 BC4 29 ILE G  45  ASP G  79  ALA G  80  SER G  81                    
SITE     3 BC4 29 SER G 126  LEU G 127  ALA G 128  THR G 151                    
SITE     4 BC4 29 LEU G 176  THR G 177  LYS G 196  ALA G 223                    
SITE     5 BC4 29 GLY G 224  PRO G 225  LEU G 226  SER G 228                    
SITE     6 BC4 29 ARG G 229  ALA G 230  0WE G 302  HOH G 404                    
SITE     7 BC4 29 HOH G 411  HOH G 413  HOH G 425  HOH G 478                    
SITE     8 BC4 29 HOH G 488                                                     
SITE     1 BC5 12 ASN G 129  SER G 130  ILE G 133  TYR G 178                    
SITE     2 BC5 12 GLY G 187  TYR G 188  ALA G 230  ALA G 233                    
SITE     3 BC5 12 ILE G 234  PHE G 236  NAI G 301  HOH G 503                    
SITE     1 BC6 29 GLY H  21  TYR H  22  TRP H  42  ASP H  79                    
SITE     2 BC6 29 ALA H  80  SER H  81  SER H 126  LEU H 127                    
SITE     3 BC6 29 ALA H 128  THR H 151  LEU H 176  THR H 177                    
SITE     4 BC6 29 LYS H 196  ALA H 223  GLY H 224  PRO H 225                    
SITE     5 BC6 29 LEU H 226  SER H 228  ARG H 229  ALA H 230                    
SITE     6 BC6 29 0WE H 302  HOH H 406  HOH H 409  HOH H 411                    
SITE     7 BC6 29 HOH H 448  HOH H 453  HOH H 479  HOH H 513                    
SITE     8 BC6 29 HOH H 514                                                     
SITE     1 BC7 10 ASN H 129  SER H 130  ILE H 133  GLY H 187                    
SITE     2 BC7 10 TYR H 188  ALA H 230  ALA H 233  ILE H 234                    
SITE     3 BC7 10 PHE H 236  NAI H 301                                          
CRYST1   96.146   96.146  263.082  90.00  90.00  90.00 P 43         32          
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      0.010401  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.010401  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003801        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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