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Entry: 5ISO
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HEADER    TRANSFERASE                             15-MAR-16   5ISO              
TITLE     STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN 
TITLE    2 COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE  
TITLE    3 (991)                                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2; 
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 SYNONYM: AMPK SUBUNIT ALPHA-2,ACETYL-COA CARBOXYLASE KINASE,ACACA    
COMPND   5 KINASE,HYDROXYMETHYLGLUTARYL-COA REDUCTASE KINASE,HMGCR KINASE;      
COMPND   6 EC: 2.7.11.1,2.7.11.27,2.7.11.31;                                    
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1;            
COMPND  10 CHAIN: B, D;                                                         
COMPND  11 SYNONYM: AMPKB;                                                      
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 OTHER_DETAILS: B 108 SER IS PHOSPHORYLATED, AND RENAMED TO SEP. THE  
COMPND  14 16 RESIDUES (MGLNDIFEAQKIEWHE) AT THE N-TERMINAL OF BETA-1 ARE       
COMPND  15 EXPRESSION TAG;                                                      
COMPND  16 MOL_ID: 3;                                                           
COMPND  17 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1;           
COMPND  18 CHAIN: E, F;                                                         
COMPND  19 SYNONYM: AMPKG;                                                      
COMPND  20 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: PRKAA2, AMPK, AMPK2;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: PRKAB1, AMPK;                                                  
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  17 ORGANISM_COMMON: HUMAN;                                              
SOURCE  18 ORGANISM_TAXID: 9606;                                                
SOURCE  19 GENE: PRKAG1;                                                        
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    TRANSFERASE, NUCLEOTIDE-BINDING, ACTIVATOR, NON-PHOSPHORYLATION       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.XIAO,J.A.HUBBARD,S.J.GAMBLIN                                        
REVDAT   3   16-OCT-19 5ISO    1       REMARK                                   
REVDAT   2   12-JUN-19 5ISO    1       AUTHOR JRNL                              
REVDAT   1   29-MAR-17 5ISO    0                                                
JRNL        AUTH   B.XIAO,J.A.HUBBARD,S.J.GAMBLIN                               
JRNL        TITL   STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT   
JRNL        TITL 2 T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A        
JRNL        TITL 3 BENZIMIDAZOLE DERIVATIVE (991)                               
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.63 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.10.1_2155: ???)                            
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.63                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.97                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 78449                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.180                           
REMARK   3   R VALUE            (WORKING SET) : 0.178                           
REMARK   3   FREE R VALUE                     : 0.230                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.950                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3884                            
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 19.9742 -  7.8287    0.95     2610   164  0.1378 0.1512        
REMARK   3     2  7.8287 -  6.2772    0.96     2634   100  0.1669 0.2296        
REMARK   3     3  6.2772 -  5.5027    0.97     2657   140  0.1755 0.2372        
REMARK   3     4  5.5027 -  5.0083    0.98     2621   134  0.1571 0.2071        
REMARK   3     5  5.0083 -  4.6542    0.98     2688   112  0.1393 0.1762        
REMARK   3     6  4.6542 -  4.3828    0.98     2650   139  0.1439 0.1819        
REMARK   3     7  4.3828 -  4.1654    0.99     2655   137  0.1535 0.2322        
REMARK   3     8  4.1654 -  3.9856    0.99     2647   142  0.1547 0.2211        
REMARK   3     9  3.9856 -  3.8333    0.99     2646   161  0.1693 0.2292        
REMARK   3    10  3.8333 -  3.7018    0.99     2665   144  0.1788 0.2352        
REMARK   3    11  3.7018 -  3.5868    0.99     2608   154  0.1821 0.2366        
REMARK   3    12  3.5868 -  3.4848    1.00     2698   138  0.1943 0.2775        
REMARK   3    13  3.4848 -  3.3935    1.00     2670   133  0.2008 0.2182        
REMARK   3    14  3.3935 -  3.3111    1.00     2681   136  0.2113 0.2880        
REMARK   3    15  3.3111 -  3.2362    1.00     2691   130  0.2127 0.2927        
REMARK   3    16  3.2362 -  3.1676    1.00     2684   122  0.2197 0.2881        
REMARK   3    17  3.1676 -  3.1044    1.00     2715   113  0.2320 0.2554        
REMARK   3    18  3.1044 -  3.0461    1.00     2682   133  0.2275 0.2608        
REMARK   3    19  3.0461 -  2.9918    1.00     2675   137  0.2204 0.3402        
REMARK   3    20  2.9918 -  2.9413    1.00     2689   145  0.2192 0.2454        
REMARK   3    21  2.9413 -  2.8940    1.00     2650   140  0.2217 0.2885        
REMARK   3    22  2.8940 -  2.8496    1.00     2673   168  0.2315 0.3237        
REMARK   3    23  2.8496 -  2.8078    1.00     2643   136  0.2524 0.2668        
REMARK   3    24  2.8078 -  2.7683    1.00     2665   147  0.2580 0.3195        
REMARK   3    25  2.7683 -  2.7310    1.00     2669   154  0.2588 0.3120        
REMARK   3    26  2.7310 -  2.6956    1.00     2654   131  0.2689 0.3466        
REMARK   3    27  2.6956 -  2.6620    1.00     2709   159  0.2682 0.3622        
REMARK   3    28  2.6620 -  2.6300    1.00     2636   135  0.2829 0.3481        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.370            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.350           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006          15193                                  
REMARK   3   ANGLE     :  0.847          20676                                  
REMARK   3   CHIRALITY :  0.052           2346                                  
REMARK   3   PLANARITY :  0.006           2556                                  
REMARK   3   DIHEDRAL  : 15.468           9003                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 33                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 9:100)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -44.1031 -19.8708   4.4096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4648 T22:   0.6466                                     
REMARK   3      T33:   0.4159 T12:   0.1355                                     
REMARK   3      T13:   0.0483 T23:  -0.0173                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8567 L22:   8.2582                                     
REMARK   3      L33:   1.5406 L12:  -0.4549                                     
REMARK   3      L13:   0.6254 L23:  -0.4615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1563 S12:   0.0736 S13:  -0.0852                       
REMARK   3      S21:   0.1303 S22:   0.1799 S23:  -0.3476                       
REMARK   3      S31:  -0.1925 S32:  -0.1661 S33:  -0.0340                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 101:276)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -51.6259 -39.2228  19.9759              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4014 T22:   0.6540                                     
REMARK   3      T33:   0.6851 T12:   0.1242                                     
REMARK   3      T13:  -0.0435 T23:   0.0781                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0018 L22:   3.5760                                     
REMARK   3      L33:   4.5744 L12:  -0.0059                                     
REMARK   3      L13:   0.6343 L23:  -0.7779                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0469 S12:  -0.2986 S13:  -0.6299                       
REMARK   3      S21:   0.3498 S22:   0.2922 S23:   0.3318                       
REMARK   3      S31:   0.0372 S32:  -0.7625 S33:  -0.3021                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 277:346)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -24.6471 -41.9349   7.9868              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8636 T22:   0.7614                                     
REMARK   3      T33:   0.6152 T12:  -0.1549                                     
REMARK   3      T13:  -0.0941 T23:  -0.0168                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1424 L22:   7.5026                                     
REMARK   3      L33:   5.4970 L12:   0.6131                                     
REMARK   3      L13:   0.7593 L23:  -1.3917                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3427 S12:   0.6731 S13:   0.7918                       
REMARK   3      S21:  -1.6520 S22:   0.5275 S23:   0.1037                       
REMARK   3      S31:   0.1266 S32:   0.2998 S33:  -0.1987                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 363:377)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -19.9192 -58.2547  42.8087              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8524 T22:   0.7129                                     
REMARK   3      T33:   0.6744 T12:   0.0053                                     
REMARK   3      T13:  -0.0286 T23:  -0.1169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1986 L22:   2.2421                                     
REMARK   3      L33:   9.9846 L12:  -1.0809                                     
REMARK   3      L13:  -0.0015 L23:  -4.2102                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4022 S12:  -1.0870 S13:  -0.1443                       
REMARK   3      S21:   1.0318 S22:   0.0515 S23:   0.8920                       
REMARK   3      S31:  -1.0660 S32:  -0.0346 S33:  -0.5193                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 397:551)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -27.6564 -24.3376  45.0893              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0430 T22:   0.6643                                     
REMARK   3      T33:   0.6220 T12:   0.2608                                     
REMARK   3      T13:  -0.2529 T23:  -0.1403                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3918 L22:   2.5867                                     
REMARK   3      L33:   2.3877 L12:   0.0005                                     
REMARK   3      L13:   0.5213 L23:  -0.1480                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2204 S12:  -0.5895 S13:   0.7842                       
REMARK   3      S21:   0.6470 S22:   0.0162 S23:  -0.0293                       
REMARK   3      S31:  -0.7081 S32:  -0.2710 S33:   0.1957                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 77:193)                             
REMARK   3    ORIGIN FOR THE GROUP (A): -43.7456  -0.0916   6.9132              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6231 T22:   0.6120                                     
REMARK   3      T33:   0.5390 T12:   0.1445                                     
REMARK   3      T13:  -0.0466 T23:  -0.0159                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8410 L22:   3.0912                                     
REMARK   3      L33:   6.2520 L12:  -0.6645                                     
REMARK   3      L13:   2.3708 L23:  -1.6247                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5314 S12:  -0.3023 S13:   0.2198                       
REMARK   3      S21:   0.5516 S22:   0.1984 S23:  -0.4070                       
REMARK   3      S31:  -0.7391 S32:  -0.0123 S33:   0.2947                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 201:270)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -27.5724 -38.9735  38.7046              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6206 T22:   0.5600                                     
REMARK   3      T33:   0.4619 T12:   0.1000                                     
REMARK   3      T13:  -0.1332 T23:   0.0406                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1749 L22:   3.6366                                     
REMARK   3      L33:   0.8869 L12:  -1.5192                                     
REMARK   3      L13:  -0.9896 L23:   0.6032                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1816 S12:  -0.2418 S13:   0.0274                       
REMARK   3      S21:   0.3176 S22:   0.1150 S23:   0.1887                       
REMARK   3      S31:  -0.3627 S32:  -0.3675 S33:   0.0563                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN E AND RESID 27:47)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -12.4719 -46.1364  18.9190              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5609 T22:   0.5550                                     
REMARK   3      T33:   0.4748 T12:  -0.0427                                     
REMARK   3      T13:  -0.0791 T23:   0.0295                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7282 L22:   6.9848                                     
REMARK   3      L33:   4.9277 L12:  -3.1767                                     
REMARK   3      L13:  -5.3247 L23:   3.2664                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1150 S12:   0.5771 S13:  -0.1528                       
REMARK   3      S21:  -0.7322 S22:  -0.4109 S23:   0.1761                       
REMARK   3      S31:  -0.7586 S32:  -0.0824 S33:   0.1643                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN E AND RESID 48:128)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.1984 -44.6235  48.5082              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6763 T22:   0.5608                                     
REMARK   3      T33:   0.5630 T12:   0.0558                                     
REMARK   3      T13:  -0.2239 T23:  -0.0149                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3133 L22:   7.7769                                     
REMARK   3      L33:   6.0755 L12:  -3.0049                                     
REMARK   3      L13:   2.6209 L23:  -4.5572                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5716 S12:  -0.4315 S13:   0.5425                       
REMARK   3      S21:   0.8953 S22:  -0.0053 S23:  -0.8589                       
REMARK   3      S31:  -0.8227 S32:   0.3420 S33:   0.5307                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 129:183)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.6746 -45.8438  24.7624              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3795 T22:   0.4197                                     
REMARK   3      T33:   0.4381 T12:  -0.0312                                     
REMARK   3      T13:  -0.0883 T23:   0.0586                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9684 L22:   8.9104                                     
REMARK   3      L33:   6.9255 L12:  -1.9135                                     
REMARK   3      L13:  -1.8599 L23:   3.7835                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1704 S12:   0.2672 S13:   0.3335                       
REMARK   3      S21:  -0.1383 S22:  -0.0061 S23:  -0.2059                       
REMARK   3      S31:  -0.2069 S32:   0.0595 S33:   0.2075                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 184:203)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   0.5284 -65.2722  17.2950              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7376 T22:   1.1091                                     
REMARK   3      T33:   0.7453 T12:   0.2428                                     
REMARK   3      T13:   0.0327 T23:  -0.1676                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0884 L22:   7.8367                                     
REMARK   3      L33:   9.2849 L12:  -4.0970                                     
REMARK   3      L13:   6.1068 L23:  -5.6279                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6937 S12:   1.2488 S13:  -1.0253                       
REMARK   3      S21:  -0.8847 S22:  -0.1163 S23:  -0.4691                       
REMARK   3      S31:   1.8244 S32:   1.8795 S33:  -0.3986                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 204:274)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.3121 -65.6885  45.0444              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6781 T22:   0.4148                                     
REMARK   3      T33:   0.4493 T12:   0.0771                                     
REMARK   3      T13:  -0.1210 T23:   0.0640                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.4636 L22:   3.7374                                     
REMARK   3      L33:   6.3566 L12:  -0.5373                                     
REMARK   3      L13:  -1.3948 L23:   1.1167                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0282 S12:  -0.0044 S13:  -0.6739                       
REMARK   3      S21:   0.2927 S22:   0.0330 S23:  -0.0076                       
REMARK   3      S31:   0.8093 S32:  -0.0259 S33:   0.0295                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN E AND RESID 275:324)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.9698 -66.8502  25.1996              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7608 T22:   0.5511                                     
REMARK   3      T33:   0.6875 T12:   0.1309                                     
REMARK   3      T13:  -0.0128 T23:  -0.0928                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0443 L22:   4.5208                                     
REMARK   3      L33:   6.1941 L12:  -2.4925                                     
REMARK   3      L13:   0.3434 L23:   0.5982                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0137 S12:   0.4163 S13:  -0.8475                       
REMARK   3      S21:   0.0208 S22:   0.1155 S23:  -0.2640                       
REMARK   3      S31:   1.2124 S32:   0.3326 S33:  -0.1521                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 9:100)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.0828  -1.2889  63.7487              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4985 T22:   0.5546                                     
REMARK   3      T33:   0.5150 T12:  -0.1215                                     
REMARK   3      T13:  -0.0245 T23:  -0.0710                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9792 L22:   5.1584                                     
REMARK   3      L33:   4.8702 L12:   1.8274                                     
REMARK   3      L13:  -0.1935 L23:  -2.6157                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2865 S12:   0.2799 S13:  -0.1034                       
REMARK   3      S21:   0.0677 S22:  -0.0003 S23:  -0.4780                       
REMARK   3      S31:   0.5512 S32:  -0.0360 S33:   0.2956                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 101:276)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -14.2779  16.0162  45.2813              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3539 T22:   0.7201                                     
REMARK   3      T33:   0.6520 T12:  -0.1009                                     
REMARK   3      T13:  -0.0306 T23:   0.0479                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0033 L22:   2.9524                                     
REMARK   3      L33:   3.4885 L12:  -0.3614                                     
REMARK   3      L13:  -0.5567 L23:  -0.2994                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0666 S12:   0.4692 S13:   0.1778                       
REMARK   3      S21:  -0.1291 S22:   0.0346 S23:   0.2607                       
REMARK   3      S31:  -0.0278 S32:  -0.5206 S33:   0.0555                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 277:345)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  10.8590  23.4885  57.2276              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1043 T22:   0.8757                                     
REMARK   3      T33:   0.9753 T12:   0.2042                                     
REMARK   3      T13:   0.3072 T23:   0.1622                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7340 L22:   2.5346                                     
REMARK   3      L33:   4.4938 L12:   1.3893                                     
REMARK   3      L13:   0.9238 L23:   0.4393                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6810 S12:  -0.1870 S13:   0.4257                       
REMARK   3      S21:   1.4700 S22:   0.0360 S23:   0.5712                       
REMARK   3      S31:  -0.2718 S32:  -0.3875 S33:  -0.7955                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 363:374)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.5539  37.4153  29.0299              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9123 T22:   0.9532                                     
REMARK   3      T33:   0.8441 T12:   0.1759                                     
REMARK   3      T13:   0.0647 T23:   0.2067                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.8713 L22:   4.7248                                     
REMARK   3      L33:   4.6920 L12:  -1.4062                                     
REMARK   3      L13:  -1.5787 L23:   4.7021                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5371 S12:   0.7190 S13:   0.3544                       
REMARK   3      S21:  -0.8054 S22:   0.3795 S23:   1.0540                       
REMARK   3      S31:  -1.8281 S32:  -0.9189 S33:   0.0750                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 396:550)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  14.1553   2.2011  24.9060              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6777 T22:   0.8881                                     
REMARK   3      T33:   0.7491 T12:  -0.0944                                     
REMARK   3      T13:   0.1471 T23:  -0.2470                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.6031 L22:   3.6932                                     
REMARK   3      L33:   2.3597 L12:   2.4161                                     
REMARK   3      L13:  -0.4480 L23:   0.3188                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2959 S12:   1.1559 S13:  -1.1700                       
REMARK   3      S21:  -0.4868 S22:   0.1672 S23:  -0.1965                       
REMARK   3      S31:   0.3904 S32:  -0.3782 S33:   0.0814                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 78:193)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.9808 -20.9953  64.1908              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4924 T22:   0.6925                                     
REMARK   3      T33:   1.0832 T12:  -0.2478                                     
REMARK   3      T13:   0.3842 T23:  -0.0816                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7206 L22:   1.5890                                     
REMARK   3      L33:   2.6988 L12:  -0.0401                                     
REMARK   3      L13:  -2.2875 L23:  -0.6946                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.3977 S12:   0.2281 S13:  -1.1379                       
REMARK   3      S21:  -0.4219 S22:   0.2905 S23:  -0.5171                       
REMARK   3      S31:   1.7428 S32:  -0.4497 S33:   0.9802                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 202:270)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.1280  16.9559  30.7531              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3554 T22:   0.7374                                     
REMARK   3      T33:   0.4921 T12:   0.0396                                     
REMARK   3      T13:   0.0770 T23:   0.0741                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5516 L22:   4.2820                                     
REMARK   3      L33:   3.4589 L12:   1.9860                                     
REMARK   3      L13:   0.4562 L23:   1.1580                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0437 S12:   0.7062 S13:   0.0345                       
REMARK   3      S21:  -0.3511 S22:   0.0500 S23:   0.3312                       
REMARK   3      S31:   0.0699 S32:  -0.6882 S33:  -0.0045                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 27:47)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  24.2317  26.2243  51.3400              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6729 T22:   0.8074                                     
REMARK   3      T33:   0.4494 T12:   0.1354                                     
REMARK   3      T13:   0.1943 T23:   0.0632                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.2963 L22:   5.8907                                     
REMARK   3      L33:   5.4731 L12:   4.1179                                     
REMARK   3      L13:   4.4280 L23:   2.9347                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2363 S12:  -0.9437 S13:   0.1376                       
REMARK   3      S21:   1.1452 S22:  -0.3690 S23:   0.6412                       
REMARK   3      S31:   0.7320 S32:   0.1952 S33:   0.2008                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 48:128)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  34.6760  24.3083  22.7471              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3817 T22:   0.7770                                     
REMARK   3      T33:   0.4980 T12:   0.0500                                     
REMARK   3      T13:   0.0762 T23:   0.0254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3280 L22:   7.9456                                     
REMARK   3      L33:   5.3008 L12:   3.7315                                     
REMARK   3      L13:  -2.4580 L23:  -3.6030                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1535 S12:   0.4814 S13:  -0.3757                       
REMARK   3      S21:  -0.3722 S22:   0.0732 S23:  -0.7312                       
REMARK   3      S31:   0.0591 S32:   0.4424 S33:   0.0574                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 129:183)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  28.6862  26.1225  45.9983              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5040 T22:   0.6691                                     
REMARK   3      T33:   0.3980 T12:   0.1404                                     
REMARK   3      T13:   0.0529 T23:   0.1008                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3217 L22:   6.9251                                     
REMARK   3      L33:   3.8210 L12:   0.9229                                     
REMARK   3      L13:   0.2943 L23:   1.2693                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0119 S12:  -0.4613 S13:  -0.1792                       
REMARK   3      S21:   0.8922 S22:   0.0612 S23:  -0.1357                       
REMARK   3      S31:   0.0034 S32:   0.3254 S33:  -0.0467                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 184:203)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  35.1493  46.9371  53.7052              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1775 T22:   1.3201                                     
REMARK   3      T33:   0.8659 T12:  -0.2653                                     
REMARK   3      T13:   0.2202 T23:  -0.3347                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1485 L22:   4.8859                                     
REMARK   3      L33:   3.3378 L12:   0.0743                                     
REMARK   3      L13:  -3.6048 L23:  -0.0318                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.4888 S12:  -1.3113 S13:   1.3234                       
REMARK   3      S21:   1.1888 S22:  -0.0485 S23:   0.2332                       
REMARK   3      S31:  -1.9564 S32:   1.3382 S33:  -1.5019                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 204:274)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  32.0849  45.2494  25.0313              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7490 T22:   0.6151                                     
REMARK   3      T33:   0.5744 T12:   0.0977                                     
REMARK   3      T13:   0.1932 T23:   0.1760                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5242 L22:   6.2185                                     
REMARK   3      L33:   7.9819 L12:   2.1548                                     
REMARK   3      L13:   2.3318 L23:   2.8255                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0369 S12:   0.0669 S13:   0.8561                       
REMARK   3      S21:  -0.3373 S22:   0.0607 S23:   0.5018                       
REMARK   3      S31:  -1.2359 S32:  -0.1105 S33:  -0.0505                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN F AND RESID 275:325)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  30.2396  46.5906  45.3644              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8696 T22:   0.5801                                     
REMARK   3      T33:   0.6065 T12:   0.0264                                     
REMARK   3      T13:   0.3075 T23:  -0.0799                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.7254 L22:   8.5954                                     
REMARK   3      L33:   6.6657 L12:   0.6694                                     
REMARK   3      L13:   2.5409 L23:   3.0112                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5146 S12:  -0.6272 S13:   1.4126                       
REMARK   3      S21:  -0.0789 S22:  -0.1093 S23:  -0.1087                       
REMARK   3      S31:  -0.9983 S32:   0.0855 S33:  -0.4278                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN G AND RESID 1:4)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.5259 -56.7252  35.0894              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9085 T22:   0.7588                                     
REMARK   3      T33:   0.7702 T12:   0.1069                                     
REMARK   3      T13:   0.0562 T23:   0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9519 L22:   4.5431                                     
REMARK   3      L33:   3.5941 L12:   1.9947                                     
REMARK   3      L13:  -3.5240 L23:  -3.6826                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0013 S12:   0.5459 S13:   1.3210                       
REMARK   3      S21:   1.4949 S22:  -0.5154 S23:  -0.0896                       
REMARK   3      S31:  -1.5205 S32:   0.0115 S33:  -0.6417                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN H AND RESID 1:4)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  33.7233  37.1764  35.7347              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8521 T22:   0.7456                                     
REMARK   3      T33:   0.6239 T12:   0.0139                                     
REMARK   3      T13:   0.0749 T23:  -0.1224                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.9868 L22:   9.1273                                     
REMARK   3      L33:   7.7153 L12:   0.0436                                     
REMARK   3      L13:   6.3982 L23:  -4.4758                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0049 S12:  -0.2175 S13:  -0.5511                       
REMARK   3      S21:  -1.3704 S22:  -0.0672 S23:  -0.8919                       
REMARK   3      S31:   1.3832 S32:   1.0576 S33:  -0.8809                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN I AND RESID 1:1)                                
REMARK   3    ORIGIN FOR THE GROUP (A): -52.3559 -25.9320   6.5292              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4620 T22:   0.7659                                     
REMARK   3      T33:   0.5377 T12:   0.1608                                     
REMARK   3      T13:   0.0777 T23:   0.0421                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8522 L22:   3.7437                                     
REMARK   3      L33:   3.1536 L12:   0.6888                                     
REMARK   3      L13:   3.8078 L23:  -1.4584                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6038 S12:   2.0695 S13:   0.6764                       
REMARK   3      S21:   0.2773 S22:   0.1425 S23:  -0.1981                       
REMARK   3      S31:  -0.4907 S32:  -0.5703 S33:  -0.3335                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN J AND RESID 1:1)                                
REMARK   3    ORIGIN FOR THE GROUP (A): -16.5139   4.0346  59.7093              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3758 T22:   0.5915                                     
REMARK   3      T33:   0.4962 T12:  -0.1863                                     
REMARK   3      T13:  -0.0442 T23:  -0.0116                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7158 L22:   5.2945                                     
REMARK   3      L33:   1.1589 L12:  -2.7096                                     
REMARK   3      L13:  -1.6203 L23:  -0.2224                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6071 S12:  -0.4331 S13:  -0.3678                       
REMARK   3      S21:  -0.3430 S22:   0.0826 S23:  -0.1084                       
REMARK   3      S31:   0.8126 S32:  -1.3481 S33:  -0.5000                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN K AND RESID 1:1)                                
REMARK   3    ORIGIN FOR THE GROUP (A): -51.2102 -10.9781   5.0351              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6961 T22:   0.8532                                     
REMARK   3      T33:   0.8120 T12:   0.2928                                     
REMARK   3      T13:   0.2674 T23:  -0.1948                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8635 L22:   5.5568                                     
REMARK   3      L33:   1.1901 L12:   3.1950                                     
REMARK   3      L13:   0.2938 L23:   0.7827                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2211 S12:  -1.4105 S13:   1.1322                       
REMARK   3      S21:   0.8569 S22:   0.3561 S23:   0.5675                       
REMARK   3      S31:  -0.6685 S32:  -0.5204 S33:  -0.2845                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN L AND RESID 1:1)                                
REMARK   3    ORIGIN FOR THE GROUP (A): -15.9442 -10.6276  63.0688              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9203 T22:   0.9108                                     
REMARK   3      T33:   0.9313 T12:  -0.4894                                     
REMARK   3      T13:  -0.0467 T23:  -0.0224                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0876 L22:   7.7511                                     
REMARK   3      L33:   4.5115 L12:  -0.3936                                     
REMARK   3      L13:  -3.8591 L23:  -4.1088                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2621 S12:   0.7604 S13:  -1.5504                       
REMARK   3      S21:  -0.0699 S22:  -0.3156 S23:  -0.3909                       
REMARK   3      S31:   3.7550 S32:  -3.0307 S33:   0.9446                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN W AND RESID 1:80)                               
REMARK   3    ORIGIN FOR THE GROUP (A): -13.6473 -10.2080  41.3848              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3032 T22:   0.4723                                     
REMARK   3      T33:   0.3090 T12:   0.0248                                     
REMARK   3      T13:  -0.1129 T23:   0.0457                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.1416 L22:   0.2041                                     
REMARK   3      L33:   0.0184 L12:   0.0528                                     
REMARK   3      L13:  -0.0849 L23:  -0.0276                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0027 S12:   0.0857 S13:  -0.0808                       
REMARK   3      S21:  -0.0257 S22:   0.0028 S23:  -0.0747                       
REMARK   3      S31:   0.0444 S32:   0.0676 S33:   0.0092                       
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 5ISO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-MAR-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000219367.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 29-JUN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0-7.4                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I04                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97949                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 78641                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.630                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 47.370                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 3.200                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER 2.5.6                                          
REMARK 200 STARTING MODEL: 4CFE                                                 
REMARK 200                                                                      
REMARK 200 REMARK: RODS LIKE                                                    
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.79                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.55                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 12% PEG3350, 300 MM GUANIDINE IN 100MM   
REMARK 280  PIPES BUFFER AT PH 7.2., VAPOR DIFFUSION, HANGING DROP,             
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       64.69500            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 16640 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 42190 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -100.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 16280 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 40810 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -97.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     LYS A     4                                                      
REMARK 465     GLN A     5                                                      
REMARK 465     LYS A     6                                                      
REMARK 465     HIS A     7                                                      
REMARK 465     ASP A     8                                                      
REMARK 465     PRO A   347                                                      
REMARK 465     SER A   348                                                      
REMARK 465     GLY A   349                                                      
REMARK 465     SER A   350                                                      
REMARK 465     PHE A   351                                                      
REMARK 465     MET A   352                                                      
REMARK 465     ASP A   353                                                      
REMARK 465     ASP A   354                                                      
REMARK 465     SER A   355                                                      
REMARK 465     ALA A   356                                                      
REMARK 465     MET A   357                                                      
REMARK 465     HIS A   358                                                      
REMARK 465     ILE A   359                                                      
REMARK 465     PRO A   360                                                      
REMARK 465     PRO A   361                                                      
REMARK 465     GLY A   362                                                      
REMARK 465     PRO A   378                                                      
REMARK 465     LYS A   379                                                      
REMARK 465     ALA A   380                                                      
REMARK 465     ARG A   381                                                      
REMARK 465     CYS A   382                                                      
REMARK 465     PRO A   383                                                      
REMARK 465     LEU A   384                                                      
REMARK 465     ASP A   385                                                      
REMARK 465     ALA A   386                                                      
REMARK 465     LEU A   387                                                      
REMARK 465     ASN A   388                                                      
REMARK 465     THR A   389                                                      
REMARK 465     THR A   390                                                      
REMARK 465     LYS A   391                                                      
REMARK 465     PRO A   392                                                      
REMARK 465     LYS A   393                                                      
REMARK 465     SER A   394                                                      
REMARK 465     LEU A   395                                                      
REMARK 465     ALA A   396                                                      
REMARK 465     GLU A   475                                                      
REMARK 465     VAL A   476                                                      
REMARK 465     VAL A   477                                                      
REMARK 465     GLU A   478                                                      
REMARK 465     GLN A   479                                                      
REMARK 465     ARG A   480                                                      
REMARK 465     SER A   481                                                      
REMARK 465     GLY A   482                                                      
REMARK 465     SER A   483                                                      
REMARK 465     SER A   484                                                      
REMARK 465     THR A   485                                                      
REMARK 465     PRO A   486                                                      
REMARK 465     GLN A   487                                                      
REMARK 465     ARG A   488                                                      
REMARK 465     SER A   489                                                      
REMARK 465     CYS A   490                                                      
REMARK 465     SER A   491                                                      
REMARK 465     ALA A   492                                                      
REMARK 465     ALA A   493                                                      
REMARK 465     GLY A   494                                                      
REMARK 465     LEU A   495                                                      
REMARK 465     HIS A   496                                                      
REMARK 465     ARG A   497                                                      
REMARK 465     PRO A   498                                                      
REMARK 465     ARG A   499                                                      
REMARK 465     SER A   500                                                      
REMARK 465     SER A   501                                                      
REMARK 465     PHE A   502                                                      
REMARK 465     ASP A   503                                                      
REMARK 465     SER A   504                                                      
REMARK 465     THR A   505                                                      
REMARK 465     THR A   506                                                      
REMARK 465     ALA A   507                                                      
REMARK 465     GLU A   508                                                      
REMARK 465     SER A   509                                                      
REMARK 465     HIS A   510                                                      
REMARK 465     SER A   511                                                      
REMARK 465     LEU A   512                                                      
REMARK 465     SER A   513                                                      
REMARK 465     GLY A   514                                                      
REMARK 465     SER A   515                                                      
REMARK 465     LEU A   516                                                      
REMARK 465     THR A   517                                                      
REMARK 465     GLY A   518                                                      
REMARK 465     SER A   519                                                      
REMARK 465     LEU A   520                                                      
REMARK 465     THR A   521                                                      
REMARK 465     GLY A   522                                                      
REMARK 465     SER A   523                                                      
REMARK 465     THR A   524                                                      
REMARK 465     LEU A   525                                                      
REMARK 465     SER A   526                                                      
REMARK 465     SER A   527                                                      
REMARK 465     VAL A   528                                                      
REMARK 465     SER A   529                                                      
REMARK 465     ARG A   552                                                      
REMARK 465     MET B   -15                                                      
REMARK 465     GLY B   -14                                                      
REMARK 465     LEU B   -13                                                      
REMARK 465     ASN B   -12                                                      
REMARK 465     ASP B   -11                                                      
REMARK 465     ILE B   -10                                                      
REMARK 465     PHE B    -9                                                      
REMARK 465     GLU B    -8                                                      
REMARK 465     ALA B    -7                                                      
REMARK 465     GLN B    -6                                                      
REMARK 465     LYS B    -5                                                      
REMARK 465     ILE B    -4                                                      
REMARK 465     GLU B    -3                                                      
REMARK 465     TRP B    -2                                                      
REMARK 465     HIS B    -1                                                      
REMARK 465     GLU B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     GLY B     2                                                      
REMARK 465     ASN B     3                                                      
REMARK 465     THR B     4                                                      
REMARK 465     SER B     5                                                      
REMARK 465     SER B     6                                                      
REMARK 465     GLU B     7                                                      
REMARK 465     ARG B     8                                                      
REMARK 465     ALA B     9                                                      
REMARK 465     ALA B    10                                                      
REMARK 465     LEU B    11                                                      
REMARK 465     GLU B    12                                                      
REMARK 465     ARG B    13                                                      
REMARK 465     HIS B    14                                                      
REMARK 465     GLY B    15                                                      
REMARK 465     GLY B    16                                                      
REMARK 465     HIS B    17                                                      
REMARK 465     LYS B    18                                                      
REMARK 465     THR B    19                                                      
REMARK 465     PRO B    20                                                      
REMARK 465     ARG B    21                                                      
REMARK 465     ARG B    22                                                      
REMARK 465     ASP B    23                                                      
REMARK 465     SER B    24                                                      
REMARK 465     SER B    25                                                      
REMARK 465     GLY B    26                                                      
REMARK 465     GLY B    27                                                      
REMARK 465     THR B    28                                                      
REMARK 465     LYS B    29                                                      
REMARK 465     ASP B    30                                                      
REMARK 465     GLY B    31                                                      
REMARK 465     ASP B    32                                                      
REMARK 465     ARG B    33                                                      
REMARK 465     PRO B    34                                                      
REMARK 465     LYS B    35                                                      
REMARK 465     ILE B    36                                                      
REMARK 465     LEU B    37                                                      
REMARK 465     MET B    38                                                      
REMARK 465     ASP B    39                                                      
REMARK 465     SER B    40                                                      
REMARK 465     PRO B    41                                                      
REMARK 465     GLU B    42                                                      
REMARK 465     ASP B    43                                                      
REMARK 465     ALA B    44                                                      
REMARK 465     ASP B    45                                                      
REMARK 465     LEU B    46                                                      
REMARK 465     PHE B    47                                                      
REMARK 465     HIS B    48                                                      
REMARK 465     SER B    49                                                      
REMARK 465     GLU B    50                                                      
REMARK 465     GLU B    51                                                      
REMARK 465     ILE B    52                                                      
REMARK 465     LYS B    53                                                      
REMARK 465     ALA B    54                                                      
REMARK 465     PRO B    55                                                      
REMARK 465     GLU B    56                                                      
REMARK 465     LYS B    57                                                      
REMARK 465     GLU B    58                                                      
REMARK 465     GLU B    59                                                      
REMARK 465     PHE B    60                                                      
REMARK 465     LEU B    61                                                      
REMARK 465     ALA B    62                                                      
REMARK 465     TRP B    63                                                      
REMARK 465     GLN B    64                                                      
REMARK 465     HIS B    65                                                      
REMARK 465     ASP B    66                                                      
REMARK 465     LEU B    67                                                      
REMARK 465     GLU B    68                                                      
REMARK 465     VAL B    69                                                      
REMARK 465     ASN B    70                                                      
REMARK 465     ASP B    71                                                      
REMARK 465     LYS B    72                                                      
REMARK 465     ALA B    73                                                      
REMARK 465     PRO B    74                                                      
REMARK 465     ALA B    75                                                      
REMARK 465     GLN B    76                                                      
REMARK 465     SER B   181                                                      
REMARK 465     SER B   182                                                      
REMARK 465     PRO B   183                                                      
REMARK 465     PRO B   184                                                      
REMARK 465     CYS B   194                                                      
REMARK 465     LYS B   195                                                      
REMARK 465     PRO B   196                                                      
REMARK 465     GLU B   197                                                      
REMARK 465     GLU B   198                                                      
REMARK 465     ARG B   199                                                      
REMARK 465     PHE B   200                                                      
REMARK 465     MET E     1                                                      
REMARK 465     GLU E     2                                                      
REMARK 465     THR E     3                                                      
REMARK 465     VAL E     4                                                      
REMARK 465     ILE E     5                                                      
REMARK 465     SER E     6                                                      
REMARK 465     SER E     7                                                      
REMARK 465     ASP E     8                                                      
REMARK 465     SER E     9                                                      
REMARK 465     SER E    10                                                      
REMARK 465     PRO E    11                                                      
REMARK 465     ALA E    12                                                      
REMARK 465     VAL E    13                                                      
REMARK 465     GLU E    14                                                      
REMARK 465     ASN E    15                                                      
REMARK 465     GLU E    16                                                      
REMARK 465     HIS E    17                                                      
REMARK 465     PRO E    18                                                      
REMARK 465     GLN E    19                                                      
REMARK 465     GLU E    20                                                      
REMARK 465     THR E    21                                                      
REMARK 465     PRO E    22                                                      
REMARK 465     GLU E    23                                                      
REMARK 465     SER E    24                                                      
REMARK 465     ASN E    25                                                      
REMARK 465     ASN E    26                                                      
REMARK 465     THR E   325                                                      
REMARK 465     GLY E   326                                                      
REMARK 465     GLY E   327                                                      
REMARK 465     GLU E   328                                                      
REMARK 465     LYS E   329                                                      
REMARK 465     LYS E   330                                                      
REMARK 465     PRO E   331                                                      
REMARK 465     MET C     1                                                      
REMARK 465     ALA C     2                                                      
REMARK 465     GLU C     3                                                      
REMARK 465     LYS C     4                                                      
REMARK 465     GLN C     5                                                      
REMARK 465     LYS C     6                                                      
REMARK 465     HIS C     7                                                      
REMARK 465     ASP C     8                                                      
REMARK 465     GLU C   298                                                      
REMARK 465     LYS C   299                                                      
REMARK 465     CYS C   302                                                      
REMARK 465     THR C   303                                                      
REMARK 465     GLU C   304                                                      
REMARK 465     SER C   305                                                      
REMARK 465     GLU C   306                                                      
REMARK 465     VAL C   307                                                      
REMARK 465     MET C   308                                                      
REMARK 465     ASN C   309                                                      
REMARK 465     SER C   310                                                      
REMARK 465     LEU C   311                                                      
REMARK 465     TYR C   312                                                      
REMARK 465     SER C   313                                                      
REMARK 465     GLY C   314                                                      
REMARK 465     ASP C   315                                                      
REMARK 465     PRO C   316                                                      
REMARK 465     GLN C   317                                                      
REMARK 465     ASP C   318                                                      
REMARK 465     PRO C   346                                                      
REMARK 465     PRO C   347                                                      
REMARK 465     SER C   348                                                      
REMARK 465     GLY C   349                                                      
REMARK 465     SER C   350                                                      
REMARK 465     PHE C   351                                                      
REMARK 465     MET C   352                                                      
REMARK 465     ASP C   353                                                      
REMARK 465     ASP C   354                                                      
REMARK 465     SER C   355                                                      
REMARK 465     ALA C   356                                                      
REMARK 465     MET C   357                                                      
REMARK 465     HIS C   358                                                      
REMARK 465     ILE C   359                                                      
REMARK 465     PRO C   360                                                      
REMARK 465     PRO C   361                                                      
REMARK 465     GLY C   362                                                      
REMARK 465     ALA C   375                                                      
REMARK 465     ASP C   376                                                      
REMARK 465     SER C   377                                                      
REMARK 465     PRO C   378                                                      
REMARK 465     LYS C   379                                                      
REMARK 465     ALA C   380                                                      
REMARK 465     ARG C   381                                                      
REMARK 465     CYS C   382                                                      
REMARK 465     PRO C   383                                                      
REMARK 465     LEU C   384                                                      
REMARK 465     ASP C   385                                                      
REMARK 465     ALA C   386                                                      
REMARK 465     LEU C   387                                                      
REMARK 465     ASN C   388                                                      
REMARK 465     THR C   389                                                      
REMARK 465     THR C   390                                                      
REMARK 465     LYS C   391                                                      
REMARK 465     PRO C   392                                                      
REMARK 465     LYS C   393                                                      
REMARK 465     SER C   394                                                      
REMARK 465     LEU C   395                                                      
REMARK 465     GLU C   475                                                      
REMARK 465     VAL C   476                                                      
REMARK 465     VAL C   477                                                      
REMARK 465     GLU C   478                                                      
REMARK 465     GLN C   479                                                      
REMARK 465     ARG C   480                                                      
REMARK 465     SER C   481                                                      
REMARK 465     GLY C   482                                                      
REMARK 465     SER C   483                                                      
REMARK 465     SER C   484                                                      
REMARK 465     THR C   485                                                      
REMARK 465     PRO C   486                                                      
REMARK 465     GLN C   487                                                      
REMARK 465     ARG C   488                                                      
REMARK 465     SER C   489                                                      
REMARK 465     CYS C   490                                                      
REMARK 465     SER C   491                                                      
REMARK 465     ALA C   492                                                      
REMARK 465     ALA C   493                                                      
REMARK 465     GLY C   494                                                      
REMARK 465     LEU C   495                                                      
REMARK 465     HIS C   496                                                      
REMARK 465     ARG C   497                                                      
REMARK 465     PRO C   498                                                      
REMARK 465     ARG C   499                                                      
REMARK 465     SER C   500                                                      
REMARK 465     SER C   501                                                      
REMARK 465     PHE C   502                                                      
REMARK 465     ASP C   503                                                      
REMARK 465     SER C   504                                                      
REMARK 465     THR C   505                                                      
REMARK 465     THR C   506                                                      
REMARK 465     ALA C   507                                                      
REMARK 465     GLU C   508                                                      
REMARK 465     SER C   509                                                      
REMARK 465     HIS C   510                                                      
REMARK 465     SER C   511                                                      
REMARK 465     LEU C   512                                                      
REMARK 465     SER C   513                                                      
REMARK 465     GLY C   514                                                      
REMARK 465     SER C   515                                                      
REMARK 465     LEU C   516                                                      
REMARK 465     THR C   517                                                      
REMARK 465     GLY C   518                                                      
REMARK 465     SER C   519                                                      
REMARK 465     LEU C   520                                                      
REMARK 465     THR C   521                                                      
REMARK 465     GLY C   522                                                      
REMARK 465     SER C   523                                                      
REMARK 465     THR C   524                                                      
REMARK 465     LEU C   525                                                      
REMARK 465     SER C   526                                                      
REMARK 465     SER C   527                                                      
REMARK 465     VAL C   528                                                      
REMARK 465     SER C   529                                                      
REMARK 465     PRO C   530                                                      
REMARK 465     ALA C   551                                                      
REMARK 465     ARG C   552                                                      
REMARK 465     MET D   -15                                                      
REMARK 465     GLY D   -14                                                      
REMARK 465     LEU D   -13                                                      
REMARK 465     ASN D   -12                                                      
REMARK 465     ASP D   -11                                                      
REMARK 465     ILE D   -10                                                      
REMARK 465     PHE D    -9                                                      
REMARK 465     GLU D    -8                                                      
REMARK 465     ALA D    -7                                                      
REMARK 465     GLN D    -6                                                      
REMARK 465     LYS D    -5                                                      
REMARK 465     ILE D    -4                                                      
REMARK 465     GLU D    -3                                                      
REMARK 465     TRP D    -2                                                      
REMARK 465     HIS D    -1                                                      
REMARK 465     GLU D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     GLY D     2                                                      
REMARK 465     ASN D     3                                                      
REMARK 465     THR D     4                                                      
REMARK 465     SER D     5                                                      
REMARK 465     SER D     6                                                      
REMARK 465     GLU D     7                                                      
REMARK 465     ARG D     8                                                      
REMARK 465     ALA D     9                                                      
REMARK 465     ALA D    10                                                      
REMARK 465     LEU D    11                                                      
REMARK 465     GLU D    12                                                      
REMARK 465     ARG D    13                                                      
REMARK 465     HIS D    14                                                      
REMARK 465     GLY D    15                                                      
REMARK 465     GLY D    16                                                      
REMARK 465     HIS D    17                                                      
REMARK 465     LYS D    18                                                      
REMARK 465     THR D    19                                                      
REMARK 465     PRO D    20                                                      
REMARK 465     ARG D    21                                                      
REMARK 465     ARG D    22                                                      
REMARK 465     ASP D    23                                                      
REMARK 465     SER D    24                                                      
REMARK 465     SER D    25                                                      
REMARK 465     GLY D    26                                                      
REMARK 465     GLY D    27                                                      
REMARK 465     THR D    28                                                      
REMARK 465     LYS D    29                                                      
REMARK 465     ASP D    30                                                      
REMARK 465     GLY D    31                                                      
REMARK 465     ASP D    32                                                      
REMARK 465     ARG D    33                                                      
REMARK 465     PRO D    34                                                      
REMARK 465     LYS D    35                                                      
REMARK 465     ILE D    36                                                      
REMARK 465     LEU D    37                                                      
REMARK 465     MET D    38                                                      
REMARK 465     ASP D    39                                                      
REMARK 465     SER D    40                                                      
REMARK 465     PRO D    41                                                      
REMARK 465     GLU D    42                                                      
REMARK 465     ASP D    43                                                      
REMARK 465     ALA D    44                                                      
REMARK 465     ASP D    45                                                      
REMARK 465     LEU D    46                                                      
REMARK 465     PHE D    47                                                      
REMARK 465     HIS D    48                                                      
REMARK 465     SER D    49                                                      
REMARK 465     GLU D    50                                                      
REMARK 465     GLU D    51                                                      
REMARK 465     ILE D    52                                                      
REMARK 465     LYS D    53                                                      
REMARK 465     ALA D    54                                                      
REMARK 465     PRO D    55                                                      
REMARK 465     GLU D    56                                                      
REMARK 465     LYS D    57                                                      
REMARK 465     GLU D    58                                                      
REMARK 465     GLU D    59                                                      
REMARK 465     PHE D    60                                                      
REMARK 465     LEU D    61                                                      
REMARK 465     ALA D    62                                                      
REMARK 465     TRP D    63                                                      
REMARK 465     GLN D    64                                                      
REMARK 465     HIS D    65                                                      
REMARK 465     ASP D    66                                                      
REMARK 465     LEU D    67                                                      
REMARK 465     GLU D    68                                                      
REMARK 465     VAL D    69                                                      
REMARK 465     ASN D    70                                                      
REMARK 465     ASP D    71                                                      
REMARK 465     LYS D    72                                                      
REMARK 465     ALA D    73                                                      
REMARK 465     PRO D    74                                                      
REMARK 465     ALA D    75                                                      
REMARK 465     GLN D    76                                                      
REMARK 465     ALA D    77                                                      
REMARK 465     SER D   144                                                      
REMARK 465     CYS D   173                                                      
REMARK 465     SER D   174                                                      
REMARK 465     ASP D   175                                                      
REMARK 465     VAL D   176                                                      
REMARK 465     SER D   177                                                      
REMARK 465     GLU D   178                                                      
REMARK 465     LEU D   179                                                      
REMARK 465     SER D   180                                                      
REMARK 465     SER D   181                                                      
REMARK 465     SER D   182                                                      
REMARK 465     PRO D   183                                                      
REMARK 465     CYS D   194                                                      
REMARK 465     LYS D   195                                                      
REMARK 465     PRO D   196                                                      
REMARK 465     GLU D   197                                                      
REMARK 465     GLU D   198                                                      
REMARK 465     ARG D   199                                                      
REMARK 465     PHE D   200                                                      
REMARK 465     ARG D   201                                                      
REMARK 465     MET F     1                                                      
REMARK 465     GLU F     2                                                      
REMARK 465     THR F     3                                                      
REMARK 465     VAL F     4                                                      
REMARK 465     ILE F     5                                                      
REMARK 465     SER F     6                                                      
REMARK 465     SER F     7                                                      
REMARK 465     ASP F     8                                                      
REMARK 465     SER F     9                                                      
REMARK 465     SER F    10                                                      
REMARK 465     PRO F    11                                                      
REMARK 465     ALA F    12                                                      
REMARK 465     VAL F    13                                                      
REMARK 465     GLU F    14                                                      
REMARK 465     ASN F    15                                                      
REMARK 465     GLU F    16                                                      
REMARK 465     HIS F    17                                                      
REMARK 465     PRO F    18                                                      
REMARK 465     GLN F    19                                                      
REMARK 465     GLU F    20                                                      
REMARK 465     THR F    21                                                      
REMARK 465     PRO F    22                                                      
REMARK 465     GLU F    23                                                      
REMARK 465     SER F    24                                                      
REMARK 465     ASN F    25                                                      
REMARK 465     ASN F    26                                                      
REMARK 465     GLY F   326                                                      
REMARK 465     GLY F   327                                                      
REMARK 465     GLU F   328                                                      
REMARK 465     LYS F   329                                                      
REMARK 465     LYS F   330                                                      
REMARK 465     PRO F   331                                                      
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     ARG A  63    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A  64    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 217    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 290    CG   OD1  OD2                                       
REMARK 470     GLU A 291    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 376    CG   OD1  OD2                                       
REMARK 470     SER A 377    OG                                                  
REMARK 470     VAL A 397    CG1  CG2                                            
REMARK 470     LYS A 398    CG   CD   CE   NZ                                   
REMARK 470     LYS A 399    CG   CD   CE   NZ                                   
REMARK 470     LYS A 411    CG   CD   CE   NZ                                   
REMARK 470     ASP A 474    CG   OD1  OD2                                       
REMARK 470     ARG B 201    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP E 124    CG   OD1  OD2                                       
REMARK 470     LYS E 127    CG   CD   CE   NZ                                   
REMARK 470     LEU E 153    CG   CD1  CD2                                       
REMARK 470     ILE E 156    CG1  CG2  CD1                                       
REMARK 470     LYS E 191    CG   CD   CE   NZ                                   
REMARK 470     GLU E 195    CG   CD   OE1  OE2                                  
REMARK 470     GLN C  50    CG   CD   OE1  NE2                                  
REMARK 470     ARG C  53    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS C  62    CG   CD   CE   NZ                                   
REMARK 470     ARG C  63    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  64    CG   CD   OE1  OE2                                  
REMARK 470     ALA C 285    CB                                                  
REMARK 470     ASN C 286    CB   CG   OD1  ND2                                  
REMARK 470     LYS C 294    CG   CD   CE   NZ                                   
REMARK 470     PHE C 300    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU C 301    CG   CD   OE1  OE2                                  
REMARK 470     GLN C 319    CG   CD   OE1  NE2                                  
REMARK 470     LEU C 320    CG   CD1  CD2                                       
REMARK 470     LEU C 326    CG   CD1  CD2                                       
REMARK 470     VAL C 397    CG1  CG2                                            
REMARK 470     LYS C 398    CG   CD   CE   NZ                                   
REMARK 470     LYS C 399    CG   CD   CE   NZ                                   
REMARK 470     LYS C 411    CG   CD   CE   NZ                                   
REMARK 470     TYR C 413    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     GLU C 418    CG   CD   OE1  OE2                                  
REMARK 470     ARG C 421    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS C 443    CG   CD   CE   NZ                                   
REMARK 470     ARG C 463    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP C 474    CG   OD1  OD2                                       
REMARK 470     ARG C 531    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D  78    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D  89    CG   CD   CE   NZ                                   
REMARK 470     GLN D 124    CG   CD   OE1  NE2                                  
REMARK 470     ASP D 136    C    CG   OD1  OD2                                  
REMARK 470     GLU D 139    CG   CD   OE1  OE2                                  
REMARK 470     THR D 143    OG1  CG2                                            
REMARK 470     GLN D 145    CG   CD   OE1  NE2                                  
REMARK 470     LYS D 172    CG   CD   CE   NZ                                   
REMARK 470     GLU D 190    CG   CD   OE1  OE2                                  
REMARK 470     TYR D 192    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     LYS D 245    CG   CD   CE   NZ                                   
REMARK 470     ASP D 246    CG   OD1  OD2                                       
REMARK 470     ASP F 124    CB   CG   OD1  OD2                                  
REMARK 470     LYS F 191    CG   CD   CE   NZ                                   
REMARK 470     GLN F 197    CG   CD   OE1  NE2                                  
REMARK 470     ARG F 236    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS F 278    CG   CD   CE   NZ                                   
REMARK 470     ASP F 304    CB   CG   OD1  OD2                                  
REMARK 470     GLU F 305    CG   CD   OE1  OE2                                  
REMARK 470     ASP F 307    CG   OD1  OD2                                       
REMARK 470     LYS F 310    CG   CD   CE   NZ                                   
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 C   728     O    HOH C   729              2.11            
REMARK 500   O    TYR E    99     O    HOH E   501              2.17            
REMARK 500   O    HOH E   503     O    HOH E   508              2.19            
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    HIS A  15       -7.78     85.17                                   
REMARK 500    ARG A 138      -15.56     73.79                                   
REMARK 500    ALA A 156      -69.61   -124.01                                   
REMARK 500    ALA A 375     -131.16     44.41                                   
REMARK 500    VAL A 460      -77.88   -107.27                                   
REMARK 500    ASN A 462      -73.00    -55.38                                   
REMARK 500    SEP B 108     -139.04    -94.92                                   
REMARK 500    ASN B 110      -56.61   -131.78                                   
REMARK 500    PRO B 191     -177.34    -62.36                                   
REMARK 500    ASN B 237       -6.99     74.86                                   
REMARK 500    LYS B 258     -119.13     51.59                                   
REMARK 500    LYS E 100      -55.44   -123.81                                   
REMARK 500    GLN E 123     -117.38     54.91                                   
REMARK 500    LYS E 127       59.68     38.99                                   
REMARK 500    ASP E 307       -2.07     81.03                                   
REMARK 500    HIS C  15      -10.31     80.46                                   
REMARK 500    LEU C  37      -60.75    -97.08                                   
REMARK 500    ARG C 138      -15.38     73.94                                   
REMARK 500    PRO C 278     -173.68    -66.49                                   
REMARK 500    ASN C 286      -62.86   -104.76                                   
REMARK 500    ASP C 290      -71.44   -125.99                                   
REMARK 500    LEU C 320      -66.19   -120.23                                   
REMARK 500    ASP C 461     -126.33     42.81                                   
REMARK 500    SEP D 108     -147.26   -100.40                                   
REMARK 500    ASN D 110      -56.35   -127.71                                   
REMARK 500    ASN D 237       -4.57     75.21                                   
REMARK 500    LYS D 258     -116.93     51.19                                   
REMARK 500    SER F 125      -70.26    -94.00                                   
REMARK 500    GLU F 305     -114.06     57.19                                   
REMARK 500    ASP F 307        4.89     98.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH C 716        DISTANCE =  5.91 ANGSTROMS                       
REMARK 525    HOH C 717        DISTANCE =  6.08 ANGSTROMS                       
REMARK 525    HOH C 718        DISTANCE =  6.18 ANGSTROMS                       
REMARK 525    HOH C 719        DISTANCE =  6.34 ANGSTROMS                       
REMARK 525    HOH C 720        DISTANCE =  6.38 ANGSTROMS                       
REMARK 525    HOH C 721        DISTANCE =  6.41 ANGSTROMS                       
REMARK 525    HOH C 722        DISTANCE =  6.83 ANGSTROMS                       
REMARK 525    HOH C 723        DISTANCE =  7.16 ANGSTROMS                       
REMARK 525    HOH C 724        DISTANCE =  7.27 ANGSTROMS                       
REMARK 525    HOH C 725        DISTANCE =  8.14 ANGSTROMS                       
REMARK 525    HOH C 726        DISTANCE =  8.92 ANGSTROMS                       
REMARK 525    HOH C 727        DISTANCE =  9.26 ANGSTROMS                       
REMARK 525    HOH C 728        DISTANCE =  9.54 ANGSTROMS                       
REMARK 525    HOH C 729        DISTANCE = 10.11 ANGSTROMS                       
REMARK 525    HOH D 304        DISTANCE =  6.86 ANGSTROMS                       
REMARK 525    HOH D 305        DISTANCE =  7.18 ANGSTROMS                       
REMARK 525    HOH D 306        DISTANCE =  7.41 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue STU A 601                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 992 A 602                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP E 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP E 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP E 403                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue STU C 601                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 992 C 602                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP F 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP F 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue AMP F 403                 
DBREF  5ISO A    1   552  UNP    P54646   AAPK2_HUMAN      1    552             
DBREF  5ISO B    1   270  UNP    Q9Y478   AAKB1_HUMAN      1    270             
DBREF  5ISO E    1   331  UNP    P54619   AAKG1_HUMAN      1    331             
DBREF  5ISO C    1   552  UNP    P54646   AAPK2_HUMAN      1    552             
DBREF  5ISO D    1   270  UNP    Q9Y478   AAKB1_HUMAN      1    270             
DBREF  5ISO F    1   331  UNP    P54619   AAKG1_HUMAN      1    331             
SEQADV 5ISO MET B  -15  UNP  Q9Y478              INITIATING METHIONINE          
SEQADV 5ISO GLY B  -14  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO LEU B  -13  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ASN B  -12  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ASP B  -11  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ILE B  -10  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO PHE B   -9  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU B   -8  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ALA B   -7  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLN B   -6  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO LYS B   -5  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ILE B   -4  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU B   -3  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO TRP B   -2  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO HIS B   -1  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU B    0  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO MET D  -15  UNP  Q9Y478              INITIATING METHIONINE          
SEQADV 5ISO GLY D  -14  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO LEU D  -13  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ASN D  -12  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ASP D  -11  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ILE D  -10  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO PHE D   -9  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU D   -8  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ALA D   -7  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLN D   -6  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO LYS D   -5  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO ILE D   -4  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU D   -3  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO TRP D   -2  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO HIS D   -1  UNP  Q9Y478              EXPRESSION TAG                 
SEQADV 5ISO GLU D    0  UNP  Q9Y478              EXPRESSION TAG                 
SEQRES   1 A  552  MET ALA GLU LYS GLN LYS HIS ASP GLY ARG VAL LYS ILE          
SEQRES   2 A  552  GLY HIS TYR VAL LEU GLY ASP THR LEU GLY VAL GLY THR          
SEQRES   3 A  552  PHE GLY LYS VAL LYS ILE GLY GLU HIS GLN LEU THR GLY          
SEQRES   4 A  552  HIS LYS VAL ALA VAL LYS ILE LEU ASN ARG GLN LYS ILE          
SEQRES   5 A  552  ARG SER LEU ASP VAL VAL GLY LYS ILE LYS ARG GLU ILE          
SEQRES   6 A  552  GLN ASN LEU LYS LEU PHE ARG HIS PRO HIS ILE ILE LYS          
SEQRES   7 A  552  LEU TYR GLN VAL ILE SER THR PRO THR ASP PHE PHE MET          
SEQRES   8 A  552  VAL MET GLU TYR VAL SER GLY GLY GLU LEU PHE ASP TYR          
SEQRES   9 A  552  ILE CYS LYS HIS GLY ARG VAL GLU GLU MET GLU ALA ARG          
SEQRES  10 A  552  ARG LEU PHE GLN GLN ILE LEU SER ALA VAL ASP TYR CYS          
SEQRES  11 A  552  HIS ARG HIS MET VAL VAL HIS ARG ASP LEU LYS PRO GLU          
SEQRES  12 A  552  ASN VAL LEU LEU ASP ALA HIS MET ASN ALA LYS ILE ALA          
SEQRES  13 A  552  ASP PHE GLY LEU SER ASN MET MET SER ASP GLY GLU PHE          
SEQRES  14 A  552  LEU ARG THR SER CYS GLY SER PRO ASN TYR ALA ALA PRO          
SEQRES  15 A  552  GLU VAL ILE SER GLY ARG LEU TYR ALA GLY PRO GLU VAL          
SEQRES  16 A  552  ASP ILE TRP SER CYS GLY VAL ILE LEU TYR ALA LEU LEU          
SEQRES  17 A  552  CYS GLY THR LEU PRO PHE ASP ASP GLU HIS VAL PRO THR          
SEQRES  18 A  552  LEU PHE LYS LYS ILE ARG GLY GLY VAL PHE TYR ILE PRO          
SEQRES  19 A  552  GLU TYR LEU ASN ARG SER VAL ALA THR LEU LEU MET HIS          
SEQRES  20 A  552  MET LEU GLN VAL ASP PRO LEU LYS ARG ALA THR ILE LYS          
SEQRES  21 A  552  ASP ILE ARG GLU HIS GLU TRP PHE LYS GLN ASP LEU PRO          
SEQRES  22 A  552  SER TYR LEU PHE PRO GLU ASP PRO SER TYR ASP ALA ASN          
SEQRES  23 A  552  VAL ILE ASP ASP GLU ALA VAL LYS GLU VAL CYS GLU LYS          
SEQRES  24 A  552  PHE GLU CYS THR GLU SER GLU VAL MET ASN SER LEU TYR          
SEQRES  25 A  552  SER GLY ASP PRO GLN ASP GLN LEU ALA VAL ALA TYR HIS          
SEQRES  26 A  552  LEU ILE ILE ASP ASN ARG ARG ILE MET ASN GLN ALA SER          
SEQRES  27 A  552  GLU PHE TYR LEU ALA SER SER PRO PRO SER GLY SER PHE          
SEQRES  28 A  552  MET ASP ASP SER ALA MET HIS ILE PRO PRO GLY LEU LYS          
SEQRES  29 A  552  PRO HIS PRO GLU ARG MET PRO PRO LEU ILE ALA ASP SER          
SEQRES  30 A  552  PRO LYS ALA ARG CYS PRO LEU ASP ALA LEU ASN THR THR          
SEQRES  31 A  552  LYS PRO LYS SER LEU ALA VAL LYS LYS ALA LYS TRP HIS          
SEQRES  32 A  552  LEU GLY ILE ARG SER GLN SER LYS PRO TYR ASP ILE MET          
SEQRES  33 A  552  ALA GLU VAL TYR ARG ALA MET LYS GLN LEU ASP PHE GLU          
SEQRES  34 A  552  TRP LYS VAL VAL ASN ALA TYR HIS LEU ARG VAL ARG ARG          
SEQRES  35 A  552  LYS ASN PRO VAL THR GLY ASN TYR VAL LYS MET SER LEU          
SEQRES  36 A  552  GLN LEU TYR LEU VAL ASP ASN ARG SER TYR LEU LEU ASP          
SEQRES  37 A  552  PHE LYS SER ILE ASP ASP GLU VAL VAL GLU GLN ARG SER          
SEQRES  38 A  552  GLY SER SER THR PRO GLN ARG SER CYS SER ALA ALA GLY          
SEQRES  39 A  552  LEU HIS ARG PRO ARG SER SER PHE ASP SER THR THR ALA          
SEQRES  40 A  552  GLU SER HIS SER LEU SER GLY SER LEU THR GLY SER LEU          
SEQRES  41 A  552  THR GLY SER THR LEU SER SER VAL SER PRO ARG LEU GLY          
SEQRES  42 A  552  SER HIS THR MET ASP PHE PHE GLU MET CYS ALA SER LEU          
SEQRES  43 A  552  ILE THR THR LEU ALA ARG                                      
SEQRES   1 B  286  MET GLY LEU ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU          
SEQRES   2 B  286  TRP HIS GLU MET GLY ASN THR SER SER GLU ARG ALA ALA          
SEQRES   3 B  286  LEU GLU ARG HIS GLY GLY HIS LYS THR PRO ARG ARG ASP          
SEQRES   4 B  286  SER SER GLY GLY THR LYS ASP GLY ASP ARG PRO LYS ILE          
SEQRES   5 B  286  LEU MET ASP SER PRO GLU ASP ALA ASP LEU PHE HIS SER          
SEQRES   6 B  286  GLU GLU ILE LYS ALA PRO GLU LYS GLU GLU PHE LEU ALA          
SEQRES   7 B  286  TRP GLN HIS ASP LEU GLU VAL ASN ASP LYS ALA PRO ALA          
SEQRES   8 B  286  GLN ALA ARG PRO THR VAL PHE ARG TRP THR GLY GLY GLY          
SEQRES   9 B  286  LYS GLU VAL TYR LEU SER GLY SER PHE ASN ASN TRP SER          
SEQRES  10 B  286  LYS LEU PRO LEU THR ARG SEP HIS ASN ASN PHE VAL ALA          
SEQRES  11 B  286  ILE LEU ASP LEU PRO GLU GLY GLU HIS GLN TYR LYS PHE          
SEQRES  12 B  286  PHE VAL ASP GLY GLN TRP THR HIS ASP PRO SER GLU PRO          
SEQRES  13 B  286  ILE VAL THR SER GLN LEU GLY THR VAL ASN ASN ILE ILE          
SEQRES  14 B  286  GLN VAL LYS LYS THR ASP PHE GLU VAL PHE ASP ALA LEU          
SEQRES  15 B  286  MET VAL ASP SER GLN LYS CYS SER ASP VAL SER GLU LEU          
SEQRES  16 B  286  SER SER SER PRO PRO GLY PRO TYR HIS GLN GLU PRO TYR          
SEQRES  17 B  286  VAL CYS LYS PRO GLU GLU ARG PHE ARG ALA PRO PRO ILE          
SEQRES  18 B  286  LEU PRO PRO HIS LEU LEU GLN VAL ILE LEU ASN LYS ASP          
SEQRES  19 B  286  THR GLY ILE SER CYS ASP PRO ALA LEU LEU PRO GLU PRO          
SEQRES  20 B  286  ASN HIS VAL MET LEU ASN HIS LEU TYR ALA LEU SER ILE          
SEQRES  21 B  286  LYS ASP GLY VAL MET VAL LEU SER ALA THR HIS ARG TYR          
SEQRES  22 B  286  LYS LYS LYS TYR VAL THR THR LEU LEU TYR LYS PRO ILE          
SEQRES   1 E  331  MET GLU THR VAL ILE SER SER ASP SER SER PRO ALA VAL          
SEQRES   2 E  331  GLU ASN GLU HIS PRO GLN GLU THR PRO GLU SER ASN ASN          
SEQRES   3 E  331  SER VAL TYR THR SER PHE MET LYS SER HIS ARG CYS TYR          
SEQRES   4 E  331  ASP LEU ILE PRO THR SER SER LYS LEU VAL VAL PHE ASP          
SEQRES   5 E  331  THR SER LEU GLN VAL LYS LYS ALA PHE PHE ALA LEU VAL          
SEQRES   6 E  331  THR ASN GLY VAL ARG ALA ALA PRO LEU TRP ASP SER LYS          
SEQRES   7 E  331  LYS GLN SER PHE VAL GLY MET LEU THR ILE THR ASP PHE          
SEQRES   8 E  331  ILE ASN ILE LEU HIS ARG TYR TYR LYS SER ALA LEU VAL          
SEQRES   9 E  331  GLN ILE TYR GLU LEU GLU GLU HIS LYS ILE GLU THR TRP          
SEQRES  10 E  331  ARG GLU VAL TYR LEU GLN ASP SER PHE LYS PRO LEU VAL          
SEQRES  11 E  331  CYS ILE SER PRO ASN ALA SER LEU PHE ASP ALA VAL SER          
SEQRES  12 E  331  SER LEU ILE ARG ASN LYS ILE HIS ARG LEU PRO VAL ILE          
SEQRES  13 E  331  ASP PRO GLU SER GLY ASN THR LEU TYR ILE LEU THR HIS          
SEQRES  14 E  331  LYS ARG ILE LEU LYS PHE LEU LYS LEU PHE ILE THR GLU          
SEQRES  15 E  331  PHE PRO LYS PRO GLU PHE MET SER LYS SER LEU GLU GLU          
SEQRES  16 E  331  LEU GLN ILE GLY THR TYR ALA ASN ILE ALA MET VAL ARG          
SEQRES  17 E  331  THR THR THR PRO VAL TYR VAL ALA LEU GLY ILE PHE VAL          
SEQRES  18 E  331  GLN HIS ARG VAL SER ALA LEU PRO VAL VAL ASP GLU LYS          
SEQRES  19 E  331  GLY ARG VAL VAL ASP ILE TYR SER LYS PHE ASP VAL ILE          
SEQRES  20 E  331  ASN LEU ALA ALA GLU LYS THR TYR ASN ASN LEU ASP VAL          
SEQRES  21 E  331  SER VAL THR LYS ALA LEU GLN HIS ARG SER HIS TYR PHE          
SEQRES  22 E  331  GLU GLY VAL LEU LYS CYS TYR LEU HIS GLU THR LEU GLU          
SEQRES  23 E  331  THR ILE ILE ASN ARG LEU VAL GLU ALA GLU VAL HIS ARG          
SEQRES  24 E  331  LEU VAL VAL VAL ASP GLU ASN ASP VAL VAL LYS GLY ILE          
SEQRES  25 E  331  VAL SER LEU SER ASP ILE LEU GLN ALA LEU VAL LEU THR          
SEQRES  26 E  331  GLY GLY GLU LYS LYS PRO                                      
SEQRES   1 C  552  MET ALA GLU LYS GLN LYS HIS ASP GLY ARG VAL LYS ILE          
SEQRES   2 C  552  GLY HIS TYR VAL LEU GLY ASP THR LEU GLY VAL GLY THR          
SEQRES   3 C  552  PHE GLY LYS VAL LYS ILE GLY GLU HIS GLN LEU THR GLY          
SEQRES   4 C  552  HIS LYS VAL ALA VAL LYS ILE LEU ASN ARG GLN LYS ILE          
SEQRES   5 C  552  ARG SER LEU ASP VAL VAL GLY LYS ILE LYS ARG GLU ILE          
SEQRES   6 C  552  GLN ASN LEU LYS LEU PHE ARG HIS PRO HIS ILE ILE LYS          
SEQRES   7 C  552  LEU TYR GLN VAL ILE SER THR PRO THR ASP PHE PHE MET          
SEQRES   8 C  552  VAL MET GLU TYR VAL SER GLY GLY GLU LEU PHE ASP TYR          
SEQRES   9 C  552  ILE CYS LYS HIS GLY ARG VAL GLU GLU MET GLU ALA ARG          
SEQRES  10 C  552  ARG LEU PHE GLN GLN ILE LEU SER ALA VAL ASP TYR CYS          
SEQRES  11 C  552  HIS ARG HIS MET VAL VAL HIS ARG ASP LEU LYS PRO GLU          
SEQRES  12 C  552  ASN VAL LEU LEU ASP ALA HIS MET ASN ALA LYS ILE ALA          
SEQRES  13 C  552  ASP PHE GLY LEU SER ASN MET MET SER ASP GLY GLU PHE          
SEQRES  14 C  552  LEU ARG THR SER CYS GLY SER PRO ASN TYR ALA ALA PRO          
SEQRES  15 C  552  GLU VAL ILE SER GLY ARG LEU TYR ALA GLY PRO GLU VAL          
SEQRES  16 C  552  ASP ILE TRP SER CYS GLY VAL ILE LEU TYR ALA LEU LEU          
SEQRES  17 C  552  CYS GLY THR LEU PRO PHE ASP ASP GLU HIS VAL PRO THR          
SEQRES  18 C  552  LEU PHE LYS LYS ILE ARG GLY GLY VAL PHE TYR ILE PRO          
SEQRES  19 C  552  GLU TYR LEU ASN ARG SER VAL ALA THR LEU LEU MET HIS          
SEQRES  20 C  552  MET LEU GLN VAL ASP PRO LEU LYS ARG ALA THR ILE LYS          
SEQRES  21 C  552  ASP ILE ARG GLU HIS GLU TRP PHE LYS GLN ASP LEU PRO          
SEQRES  22 C  552  SER TYR LEU PHE PRO GLU ASP PRO SER TYR ASP ALA ASN          
SEQRES  23 C  552  VAL ILE ASP ASP GLU ALA VAL LYS GLU VAL CYS GLU LYS          
SEQRES  24 C  552  PHE GLU CYS THR GLU SER GLU VAL MET ASN SER LEU TYR          
SEQRES  25 C  552  SER GLY ASP PRO GLN ASP GLN LEU ALA VAL ALA TYR HIS          
SEQRES  26 C  552  LEU ILE ILE ASP ASN ARG ARG ILE MET ASN GLN ALA SER          
SEQRES  27 C  552  GLU PHE TYR LEU ALA SER SER PRO PRO SER GLY SER PHE          
SEQRES  28 C  552  MET ASP ASP SER ALA MET HIS ILE PRO PRO GLY LEU LYS          
SEQRES  29 C  552  PRO HIS PRO GLU ARG MET PRO PRO LEU ILE ALA ASP SER          
SEQRES  30 C  552  PRO LYS ALA ARG CYS PRO LEU ASP ALA LEU ASN THR THR          
SEQRES  31 C  552  LYS PRO LYS SER LEU ALA VAL LYS LYS ALA LYS TRP HIS          
SEQRES  32 C  552  LEU GLY ILE ARG SER GLN SER LYS PRO TYR ASP ILE MET          
SEQRES  33 C  552  ALA GLU VAL TYR ARG ALA MET LYS GLN LEU ASP PHE GLU          
SEQRES  34 C  552  TRP LYS VAL VAL ASN ALA TYR HIS LEU ARG VAL ARG ARG          
SEQRES  35 C  552  LYS ASN PRO VAL THR GLY ASN TYR VAL LYS MET SER LEU          
SEQRES  36 C  552  GLN LEU TYR LEU VAL ASP ASN ARG SER TYR LEU LEU ASP          
SEQRES  37 C  552  PHE LYS SER ILE ASP ASP GLU VAL VAL GLU GLN ARG SER          
SEQRES  38 C  552  GLY SER SER THR PRO GLN ARG SER CYS SER ALA ALA GLY          
SEQRES  39 C  552  LEU HIS ARG PRO ARG SER SER PHE ASP SER THR THR ALA          
SEQRES  40 C  552  GLU SER HIS SER LEU SER GLY SER LEU THR GLY SER LEU          
SEQRES  41 C  552  THR GLY SER THR LEU SER SER VAL SER PRO ARG LEU GLY          
SEQRES  42 C  552  SER HIS THR MET ASP PHE PHE GLU MET CYS ALA SER LEU          
SEQRES  43 C  552  ILE THR THR LEU ALA ARG                                      
SEQRES   1 D  286  MET GLY LEU ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU          
SEQRES   2 D  286  TRP HIS GLU MET GLY ASN THR SER SER GLU ARG ALA ALA          
SEQRES   3 D  286  LEU GLU ARG HIS GLY GLY HIS LYS THR PRO ARG ARG ASP          
SEQRES   4 D  286  SER SER GLY GLY THR LYS ASP GLY ASP ARG PRO LYS ILE          
SEQRES   5 D  286  LEU MET ASP SER PRO GLU ASP ALA ASP LEU PHE HIS SER          
SEQRES   6 D  286  GLU GLU ILE LYS ALA PRO GLU LYS GLU GLU PHE LEU ALA          
SEQRES   7 D  286  TRP GLN HIS ASP LEU GLU VAL ASN ASP LYS ALA PRO ALA          
SEQRES   8 D  286  GLN ALA ARG PRO THR VAL PHE ARG TRP THR GLY GLY GLY          
SEQRES   9 D  286  LYS GLU VAL TYR LEU SER GLY SER PHE ASN ASN TRP SER          
SEQRES  10 D  286  LYS LEU PRO LEU THR ARG SEP HIS ASN ASN PHE VAL ALA          
SEQRES  11 D  286  ILE LEU ASP LEU PRO GLU GLY GLU HIS GLN TYR LYS PHE          
SEQRES  12 D  286  PHE VAL ASP GLY GLN TRP THR HIS ASP PRO SER GLU PRO          
SEQRES  13 D  286  ILE VAL THR SER GLN LEU GLY THR VAL ASN ASN ILE ILE          
SEQRES  14 D  286  GLN VAL LYS LYS THR ASP PHE GLU VAL PHE ASP ALA LEU          
SEQRES  15 D  286  MET VAL ASP SER GLN LYS CYS SER ASP VAL SER GLU LEU          
SEQRES  16 D  286  SER SER SER PRO PRO GLY PRO TYR HIS GLN GLU PRO TYR          
SEQRES  17 D  286  VAL CYS LYS PRO GLU GLU ARG PHE ARG ALA PRO PRO ILE          
SEQRES  18 D  286  LEU PRO PRO HIS LEU LEU GLN VAL ILE LEU ASN LYS ASP          
SEQRES  19 D  286  THR GLY ILE SER CYS ASP PRO ALA LEU LEU PRO GLU PRO          
SEQRES  20 D  286  ASN HIS VAL MET LEU ASN HIS LEU TYR ALA LEU SER ILE          
SEQRES  21 D  286  LYS ASP GLY VAL MET VAL LEU SER ALA THR HIS ARG TYR          
SEQRES  22 D  286  LYS LYS LYS TYR VAL THR THR LEU LEU TYR LYS PRO ILE          
SEQRES   1 F  331  MET GLU THR VAL ILE SER SER ASP SER SER PRO ALA VAL          
SEQRES   2 F  331  GLU ASN GLU HIS PRO GLN GLU THR PRO GLU SER ASN ASN          
SEQRES   3 F  331  SER VAL TYR THR SER PHE MET LYS SER HIS ARG CYS TYR          
SEQRES   4 F  331  ASP LEU ILE PRO THR SER SER LYS LEU VAL VAL PHE ASP          
SEQRES   5 F  331  THR SER LEU GLN VAL LYS LYS ALA PHE PHE ALA LEU VAL          
SEQRES   6 F  331  THR ASN GLY VAL ARG ALA ALA PRO LEU TRP ASP SER LYS          
SEQRES   7 F  331  LYS GLN SER PHE VAL GLY MET LEU THR ILE THR ASP PHE          
SEQRES   8 F  331  ILE ASN ILE LEU HIS ARG TYR TYR LYS SER ALA LEU VAL          
SEQRES   9 F  331  GLN ILE TYR GLU LEU GLU GLU HIS LYS ILE GLU THR TRP          
SEQRES  10 F  331  ARG GLU VAL TYR LEU GLN ASP SER PHE LYS PRO LEU VAL          
SEQRES  11 F  331  CYS ILE SER PRO ASN ALA SER LEU PHE ASP ALA VAL SER          
SEQRES  12 F  331  SER LEU ILE ARG ASN LYS ILE HIS ARG LEU PRO VAL ILE          
SEQRES  13 F  331  ASP PRO GLU SER GLY ASN THR LEU TYR ILE LEU THR HIS          
SEQRES  14 F  331  LYS ARG ILE LEU LYS PHE LEU LYS LEU PHE ILE THR GLU          
SEQRES  15 F  331  PHE PRO LYS PRO GLU PHE MET SER LYS SER LEU GLU GLU          
SEQRES  16 F  331  LEU GLN ILE GLY THR TYR ALA ASN ILE ALA MET VAL ARG          
SEQRES  17 F  331  THR THR THR PRO VAL TYR VAL ALA LEU GLY ILE PHE VAL          
SEQRES  18 F  331  GLN HIS ARG VAL SER ALA LEU PRO VAL VAL ASP GLU LYS          
SEQRES  19 F  331  GLY ARG VAL VAL ASP ILE TYR SER LYS PHE ASP VAL ILE          
SEQRES  20 F  331  ASN LEU ALA ALA GLU LYS THR TYR ASN ASN LEU ASP VAL          
SEQRES  21 F  331  SER VAL THR LYS ALA LEU GLN HIS ARG SER HIS TYR PHE          
SEQRES  22 F  331  GLU GLY VAL LEU LYS CYS TYR LEU HIS GLU THR LEU GLU          
SEQRES  23 F  331  THR ILE ILE ASN ARG LEU VAL GLU ALA GLU VAL HIS ARG          
SEQRES  24 F  331  LEU VAL VAL VAL ASP GLU ASN ASP VAL VAL LYS GLY ILE          
SEQRES  25 F  331  VAL SER LEU SER ASP ILE LEU GLN ALA LEU VAL LEU THR          
SEQRES  26 F  331  GLY GLY GLU LYS LYS PRO                                      
MODRES 5ISO SEP B  108  SER  MODIFIED RESIDUE                                   
MODRES 5ISO SEP D  108  SER  MODIFIED RESIDUE                                   
HET    SEP  B 108      10                                                       
HET    SEP  D 108      10                                                       
HET    STU  A 601      35                                                       
HET    992  A 602      31                                                       
HET    AMP  E 401      23                                                       
HET    AMP  E 402      23                                                       
HET    AMP  E 403      23                                                       
HET    STU  C 601      35                                                       
HET    992  C 602      31                                                       
HET    AMP  F 401      23                                                       
HET    AMP  F 402      23                                                       
HET    AMP  F 403      23                                                       
HETNAM     SEP PHOSPHOSERINE                                                    
HETNAM     STU STAUROSPORINE                                                    
HETNAM     992 5-[[6-CHLORANYL-5-(1-METHYLINDOL-5-YL)-1H-BENZIMIDAZOL-          
HETNAM   2 992  2-YL]OXY]-2-METHYL-BENZOIC ACID                                 
HETNAM     AMP ADENOSINE MONOPHOSPHATE                                          
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   2  SEP    2(C3 H8 N O6 P)                                              
FORMUL   7  STU    2(C28 H26 N4 O3)                                             
FORMUL   8  992    2(C24 H18 CL N3 O3)                                          
FORMUL   9  AMP    6(C10 H14 N5 O7 P)                                           
FORMUL  17  HOH   *80(H2 O)                                                     
HELIX    1 AA1 ARG A   49  LEU A   55  1                                   7    
HELIX    2 AA2 VAL A   57  PHE A   71  1                                  15    
HELIX    3 AA3 GLU A  100  GLY A  109  1                                  10    
HELIX    4 AA4 GLU A  112  HIS A  133  1                                  22    
HELIX    5 AA5 SER A  176  ALA A  180  5                                   5    
HELIX    6 AA6 ALA A  181  GLY A  187  1                                   7    
HELIX    7 AA7 GLY A  192  CYS A  209  1                                  18    
HELIX    8 AA8 HIS A  218  GLY A  229  1                                  12    
HELIX    9 AA9 ASN A  238  LEU A  249  1                                  12    
HELIX   10 AB1 THR A  258  HIS A  265  1                                   8    
HELIX   11 AB2 HIS A  265  GLN A  270  1                                   6    
HELIX   12 AB3 SER A  282  VAL A  287  1                                   6    
HELIX   13 AB4 ASP A  289  PHE A  300  1                                  12    
HELIX   14 AB5 THR A  303  SER A  313  1                                  11    
HELIX   15 AB6 ASP A  318  GLN A  336  1                                  19    
HELIX   16 AB7 ALA A  337  LEU A  342  1                                   6    
HELIX   17 AB8 LYS A  411  ASP A  427  1                                  17    
HELIX   18 AB9 SER A  534  LEU A  550  1                                  17    
HELIX   19 AC1 PHE B   97  ASN B   99  5                                   3    
HELIX   20 AC2 LYS B  156  PHE B  160  5                                   5    
HELIX   21 AC3 GLU B  161  SER B  177  1                                  17    
HELIX   22 AC4 PRO B  207  GLN B  212  5                                   6    
HELIX   23 AC5 VAL B  213  LYS B  217  5                                   5    
HELIX   24 AC6 ASN B  232  LEU B  236  5                                   5    
HELIX   25 AC7 VAL E   28  HIS E   36  1                                   9    
HELIX   26 AC8 ARG E   37  ILE E   42  5                                   6    
HELIX   27 AC9 GLN E   56  GLY E   68  1                                  13    
HELIX   28 AD1 ILE E   88  TYR E   99  1                                  12    
HELIX   29 AD2 ILE E  106  HIS E  112  1                                   7    
HELIX   30 AD3 LYS E  113  GLN E  123  1                                  11    
HELIX   31 AD4 SER E  137  LYS E  149  1                                  13    
HELIX   32 AD5 THR E  168  ILE E  180  1                                  13    
HELIX   33 AD6 THR E  181  PHE E  183  5                                   3    
HELIX   34 AD7 GLU E  187  LYS E  191  5                                   5    
HELIX   35 AD8 SER E  192  GLN E  197  1                                   6    
HELIX   36 AD9 PRO E  212  HIS E  223  1                                  12    
HELIX   37 AE1 LYS E  243  ILE E  247  1                                   5    
HELIX   38 AE2 ILE E  247  GLU E  252  1                                   6    
HELIX   39 AE3 SER E  261  LEU E  266  1                                   6    
HELIX   40 AE4 GLN E  267  SER E  270  5                                   4    
HELIX   41 AE5 THR E  284  GLU E  296  1                                  13    
HELIX   42 AE6 LEU E  315  VAL E  323  1                                   9    
HELIX   43 AE7 ARG C   49  ASP C   56  1                                   8    
HELIX   44 AE8 VAL C   57  LEU C   70  1                                  14    
HELIX   45 AE9 GLU C  100  GLY C  109  1                                  10    
HELIX   46 AF1 GLU C  112  HIS C  133  1                                  22    
HELIX   47 AF2 SER C  176  ALA C  180  5                                   5    
HELIX   48 AF3 ALA C  181  SER C  186  1                                   6    
HELIX   49 AF4 GLY C  192  GLY C  210  1                                  19    
HELIX   50 AF5 HIS C  218  GLY C  229  1                                  12    
HELIX   51 AF6 ASN C  238  LEU C  249  1                                  12    
HELIX   52 AF7 THR C  258  HIS C  265  1                                   8    
HELIX   53 AF8 ASP C  290  GLU C  295  1                                   6    
HELIX   54 AF9 LEU C  320  GLN C  336  1                                  17    
HELIX   55 AG1 ALA C  337  LEU C  342  1                                   6    
HELIX   56 AG2 LYS C  411  LEU C  426  1                                  16    
HELIX   57 AG3 SER C  534  THR C  549  1                                  16    
HELIX   58 AG4 LYS D  156  PHE D  160  5                                   5    
HELIX   59 AG5 GLU D  161  SER D  170  1                                  10    
HELIX   60 AG6 PRO D  207  GLN D  212  5                                   6    
HELIX   61 AG7 VAL D  213  LYS D  217  5                                   5    
HELIX   62 AG8 ASN D  232  LEU D  236  5                                   5    
HELIX   63 AG9 VAL F   28  HIS F   36  1                                   9    
HELIX   64 AH1 ARG F   37  ILE F   42  5                                   6    
HELIX   65 AH2 GLN F   56  GLY F   68  1                                  13    
HELIX   66 AH3 ILE F   88  TYR F   99  1                                  12    
HELIX   67 AH4 ILE F  106  HIS F  112  1                                   7    
HELIX   68 AH5 LYS F  113  LEU F  122  1                                  10    
HELIX   69 AH6 SER F  137  ASN F  148  1                                  12    
HELIX   70 AH7 THR F  168  ILE F  180  1                                  13    
HELIX   71 AH8 THR F  181  PHE F  183  5                                   3    
HELIX   72 AH9 GLU F  187  LYS F  191  5                                   5    
HELIX   73 AI1 PRO F  212  ARG F  224  1                                  13    
HELIX   74 AI2 VAL F  246  GLU F  252  1                                   7    
HELIX   75 AI3 SER F  261  LEU F  266  1                                   6    
HELIX   76 AI4 GLN F  267  SER F  270  5                                   4    
HELIX   77 AI5 THR F  284  GLU F  296  1                                  13    
HELIX   78 AI6 LEU F  315  LEU F  324  1                                  10    
SHEET    1 AA1 6 LYS A  12  ILE A  13  0                                        
SHEET    2 AA1 6 TYR A  16  VAL A  24 -1  O  TYR A  16   N  ILE A  13           
SHEET    3 AA1 6 LYS A  29  HIS A  35 -1  O  ILE A  32   N  GLY A  19           
SHEET    4 AA1 6 LYS A  41  ASN A  48 -1  O  ILE A  46   N  LYS A  29           
SHEET    5 AA1 6 ASP A  88  GLU A  94 -1  O  MET A  93   N  ALA A  43           
SHEET    6 AA1 6 LEU A  79  SER A  84 -1  N  TYR A  80   O  VAL A  92           
SHEET    1 AA2 2 VAL A 135  VAL A 136  0                                        
SHEET    2 AA2 2 ASN A 162  MET A 163 -1  O  ASN A 162   N  VAL A 136           
SHEET    1 AA3 2 VAL A 145  LEU A 147  0                                        
SHEET    2 AA3 2 ALA A 153  ILE A 155 -1  O  LYS A 154   N  LEU A 146           
SHEET    1 AA4 7 HIS A 403  LEU A 404  0                                        
SHEET    2 AA4 7 TYR B 240  ALA B 241 -1  O  ALA B 241   N  HIS A 403           
SHEET    3 AA4 7 VAL B 248  TYR B 257 -1  O  SER B 252   N  TYR B 240           
SHEET    4 AA4 7 LYS B 260  PRO B 269 -1  O  LYS B 260   N  TYR B 257           
SHEET    5 AA4 7 SER E  45  ASP E  52  1  O  LEU E  48   N  LEU B 265           
SHEET    6 AA4 7 ALA E  71  ASP E  76  1  O  TRP E  75   N  PHE E  51           
SHEET    7 AA4 7 SER E  81  THR E  87 -1  O  GLY E  84   N  LEU E  74           
SHEET    1 AA5 5 ILE A 406  SER A 408  0                                        
SHEET    2 AA5 5 TYR A 465  ILE A 472 -1  O  LEU A 467   N  ILE A 406           
SHEET    3 AA5 5 TYR A 450  LEU A 459 -1  N  SER A 454   O  LYS A 470           
SHEET    4 AA5 5 HIS A 437  LYS A 443 -1  N  VAL A 440   O  MET A 453           
SHEET    5 AA5 5 GLU A 429  ASN A 434 -1  N  GLU A 429   O  ARG A 441           
SHEET    1 AA6 3 PRO B  79  TRP B  84  0                                        
SHEET    2 AA6 3 PHE B 112  ASP B 117 -1  O  PHE B 112   N  TRP B  84           
SHEET    3 AA6 3 THR B 106  ARG B 107 -1  N  THR B 106   O  VAL B 113           
SHEET    1 AA7 4 LEU B 103  PRO B 104  0                                        
SHEET    2 AA7 4 VAL B  91  GLY B  95 -1  N  LEU B  93   O  LEU B 103           
SHEET    3 AA7 4 GLY B 121  VAL B 129 -1  O  LYS B 126   N  SER B  94           
SHEET    4 AA7 4 GLN B 132  THR B 134 -1  O  THR B 134   N  PHE B 127           
SHEET    1 AA8 5 LEU B 103  PRO B 104  0                                        
SHEET    2 AA8 5 VAL B  91  GLY B  95 -1  N  LEU B  93   O  LEU B 103           
SHEET    3 AA8 5 GLY B 121  VAL B 129 -1  O  LYS B 126   N  SER B  94           
SHEET    4 AA8 5 VAL B 149  VAL B 155 -1  O  VAL B 155   N  GLY B 121           
SHEET    5 AA8 5 ILE B 141  THR B 143 -1  N  VAL B 142   O  ASN B 150           
SHEET    1 AA9 2 LEU E 153  ILE E 156  0                                        
SHEET    2 AA9 2 THR E 163  LEU E 167 -1  O  LEU E 164   N  VAL E 155           
SHEET    1 AB1 3 VAL E 207  ARG E 208  0                                        
SHEET    2 AB1 3 ALA E 227  VAL E 231  1  O  VAL E 231   N  VAL E 207           
SHEET    3 AB1 3 VAL E 237  SER E 242 -1  O  ASP E 239   N  VAL E 230           
SHEET    1 AB2 3 LYS E 278  CYS E 279  0                                        
SHEET    2 AB2 3 ARG E 299  VAL E 303  1  O  VAL E 303   N  CYS E 279           
SHEET    3 AB2 3 VAL E 309  SER E 314 -1  O  VAL E 313   N  LEU E 300           
SHEET    1 AB3 6 LYS C  12  ILE C  13  0                                        
SHEET    2 AB3 6 TYR C  16  VAL C  24 -1  O  TYR C  16   N  ILE C  13           
SHEET    3 AB3 6 LYS C  29  HIS C  35 -1  O  GLU C  34   N  VAL C  17           
SHEET    4 AB3 6 LYS C  41  ASN C  48 -1  O  ILE C  46   N  LYS C  29           
SHEET    5 AB3 6 ASP C  88  GLU C  94 -1  O  MET C  93   N  ALA C  43           
SHEET    6 AB3 6 LEU C  79  SER C  84 -1  N  TYR C  80   O  VAL C  92           
SHEET    1 AB4 2 VAL C 135  VAL C 136  0                                        
SHEET    2 AB4 2 ASN C 162  MET C 163 -1  O  ASN C 162   N  VAL C 136           
SHEET    1 AB5 2 VAL C 145  LEU C 147  0                                        
SHEET    2 AB5 2 ALA C 153  ILE C 155 -1  O  LYS C 154   N  LEU C 146           
SHEET    1 AB6 7 HIS C 403  LEU C 404  0                                        
SHEET    2 AB6 7 TYR D 240  LYS D 245 -1  O  ALA D 241   N  HIS C 403           
SHEET    3 AB6 7 VAL D 248  TYR D 257 -1  O  SER D 252   N  TYR D 240           
SHEET    4 AB6 7 LYS D 260  PRO D 269 -1  O  LYS D 260   N  TYR D 257           
SHEET    5 AB6 7 SER F  45  ASP F  52  1  O  VAL F  50   N  LEU D 265           
SHEET    6 AB6 7 ALA F  71  ASP F  76  1  O  TRP F  75   N  PHE F  51           
SHEET    7 AB6 7 SER F  81  THR F  87 -1  O  GLY F  84   N  LEU F  74           
SHEET    1 AB7 5 ILE C 406  SER C 408  0                                        
SHEET    2 AB7 5 SER C 464  SER C 471 -1  O  TYR C 465   N  SER C 408           
SHEET    3 AB7 5 TYR C 450  VAL C 460 -1  N  GLN C 456   O  ASP C 468           
SHEET    4 AB7 5 HIS C 437  LYS C 443 -1  N  ARG C 442   O  VAL C 451           
SHEET    5 AB7 5 GLU C 429  ASN C 434 -1  N  LYS C 431   O  ARG C 439           
SHEET    1 AB8 3 PRO D  79  TRP D  84  0                                        
SHEET    2 AB8 3 PHE D 112  ASP D 117 -1  O  LEU D 116   N  THR D  80           
SHEET    3 AB8 3 THR D 106  ARG D 107 -1  N  THR D 106   O  VAL D 113           
SHEET    1 AB9 4 LEU D 103  PRO D 104  0                                        
SHEET    2 AB9 4 VAL D  91  GLY D  95 -1  N  LEU D  93   O  LEU D 103           
SHEET    3 AB9 4 GLY D 121  VAL D 129 -1  O  LYS D 126   N  SER D  94           
SHEET    4 AB9 4 GLN D 132  THR D 134 -1  O  GLN D 132   N  VAL D 129           
SHEET    1 AC1 5 LEU D 103  PRO D 104  0                                        
SHEET    2 AC1 5 VAL D  91  GLY D  95 -1  N  LEU D  93   O  LEU D 103           
SHEET    3 AC1 5 GLY D 121  VAL D 129 -1  O  LYS D 126   N  SER D  94           
SHEET    4 AC1 5 ASN D 150  VAL D 155 -1  O  ASN D 151   N  TYR D 125           
SHEET    5 AC1 5 ILE D 141  VAL D 142 -1  N  VAL D 142   O  ASN D 150           
SHEET    1 AC2 2 LEU F 153  ILE F 156  0                                        
SHEET    2 AC2 2 THR F 163  LEU F 167 -1  O  LEU F 164   N  VAL F 155           
SHEET    1 AC3 3 VAL F 207  ARG F 208  0                                        
SHEET    2 AC3 3 ALA F 227  VAL F 231  1  O  VAL F 231   N  VAL F 207           
SHEET    3 AC3 3 VAL F 237  SER F 242 -1  O  ASP F 239   N  VAL F 230           
SHEET    1 AC4 3 LYS F 278  CYS F 279  0                                        
SHEET    2 AC4 3 ARG F 299  ASP F 304  1  O  VAL F 303   N  CYS F 279           
SHEET    3 AC4 3 VAL F 308  SER F 314 -1  O  VAL F 313   N  LEU F 300           
LINK         C   ARG B 107                 N   SEP B 108     1555   1555  1.33  
LINK         C   SEP B 108                 N   HIS B 109     1555   1555  1.32  
LINK         C   ARG D 107                 N   SEP D 108     1555   1555  1.33  
LINK         C   SEP D 108                 N   HIS D 109     1555   1555  1.33  
SITE     1 AC1 15 LEU A  22  GLY A  23  VAL A  24  GLY A  25                    
SITE     2 AC1 15 VAL A  30  ALA A  43  GLU A  94  TYR A  95                    
SITE     3 AC1 15 VAL A  96  GLU A 100  GLU A 143  ASN A 144                    
SITE     4 AC1 15 LEU A 146  ALA A 156  ASP A 157                               
SITE     1 AC2 12 LEU A  18  LYS A  29  LYS A  31  ILE A  46                    
SITE     2 AC2 12 ASN A  48  LYS A  51  ASP A  88  ARG B  83                    
SITE     3 AC2 12 ARG B 107  SEP B 108  ASN B 111  VAL B 113                    
SITE     1 AC3  9 THR E  87  THR E  89  ASP E  90  PRO E 128                    
SITE     2 AC3  9 VAL E 130  ILE E 150  HIS E 151  ARG E 152                    
SITE     3 AC3  9 PRO E 154                                                     
SITE     1 AC4 13 PRO A 367  ARG E  70  LYS E 170  ILE E 240                    
SITE     2 AC4 13 SER E 242  ASP E 245  ARG E 269  GLY E 275                    
SITE     3 AC4 13 VAL E 276  LEU E 277  VAL E 297  HIS E 298                    
SITE     4 AC4 13 ARG E 299                                                     
SITE     1 AC5 12 HIS E 151  THR E 200  ASN E 203  ILE E 204                    
SITE     2 AC5 12 ALA E 205  VAL E 225  SER E 226  ALA E 227                    
SITE     3 AC5 12 HIS E 298  SER E 314  SER E 316  ASP E 317                    
SITE     1 AC6 15 LEU C  22  GLY C  23  VAL C  24  GLY C  25                    
SITE     2 AC6 15 VAL C  30  ALA C  43  GLU C  94  TYR C  95                    
SITE     3 AC6 15 VAL C  96  GLU C 100  GLU C 143  ASN C 144                    
SITE     4 AC6 15 LEU C 146  ALA C 156  ASP C 157                               
SITE     1 AC7 13 LEU C  18  LYS C  29  LYS C  31  ILE C  46                    
SITE     2 AC7 13 ASN C  48  LYS C  51  ASP C  88  ARG D  83                    
SITE     3 AC7 13 THR D 106  ARG D 107  SEP D 108  ASN D 111                    
SITE     4 AC7 13 VAL D 113                                                     
SITE     1 AC8 11 MET F  85  THR F  87  THR F  89  ASP F  90                    
SITE     2 AC8 11 PRO F 128  LEU F 129  VAL F 130  ILE F 150                    
SITE     3 AC8 11 HIS F 151  ARG F 152  PRO F 154                               
SITE     1 AC9 12 ARG F  70  LYS F 170  ILE F 240  SER F 242                    
SITE     2 AC9 12 ASP F 245  ARG F 269  GLY F 275  VAL F 276                    
SITE     3 AC9 12 LEU F 277  VAL F 297  HIS F 298  ARG F 299                    
SITE     1 AD1 12 HIS F 151  THR F 200  ASN F 203  ILE F 204                    
SITE     2 AD1 12 ALA F 205  VAL F 225  SER F 226  ALA F 227                    
SITE     3 AD1 12 HIS F 298  SER F 314  SER F 316  ASP F 317                    
CRYST1   75.420  129.390  139.280  90.00  92.73  90.00 P 1 21 1      4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013259  0.000000  0.000632        0.00000                         
SCALE2      0.000000  0.007729  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007188        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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