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Database: PDB
Entry: 6GL1
LinkDB: 6GL1
Original site: 6GL1 
HEADER    IMMUNE SYSTEM                           22-MAY-18   6GL1              
TITLE     HLA-E*01:03 IN COMPLEX WITH THE HIV EPITOPE, RL9HIV                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MHC CLASS I ANTIGEN;                                       
COMPND   3 CHAIN: A, C, E, G;                                                   
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: BETA-2-MICROGLOBULIN;                                      
COMPND   7 CHAIN: B, D, F, H;                                                   
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU;                       
COMPND  11 CHAIN: P, R, T, Q;                                                   
COMPND  12 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: HLA-E;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: PLYSS;                                    
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: B2M, CDABP0092, HDCMA22P;                                      
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  16 EXPRESSION_SYSTEM_VARIANT: PLYSS;                                    
SOURCE  17 MOL_ID: 3;                                                           
SOURCE  18 SYNTHETIC: YES;                                                      
SOURCE  19 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;                 
SOURCE  20 ORGANISM_TAXID: 11676                                                
KEYWDS    COMPLEX, HISTOCOMPATIBILITY ANTIGEN, IMMUNE SYSTEM                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.C.WALTERS,G.M.GILLESPIE,A.J.MCMICHAEL,D.ROZBESKY,E.Y.JONES,K.HARLOS 
REVDAT   2   22-AUG-18 6GL1    1       JRNL                                     
REVDAT   1   08-AUG-18 6GL1    0                                                
JRNL        AUTH   L.C.WALTERS,K.HARLOS,S.BRACKENRIDGE,D.ROZBESKY,J.R.BARRETT,  
JRNL        AUTH 2 V.JAIN,T.S.WALTER,C.A.O'CALLAGHAN,P.BORROW,M.TOEBES,         
JRNL        AUTH 3 S.G.HANSEN,J.SACHA,S.ABDULHAQQ,J.M.GREENE,K.FRUH,E.MARSHALL, 
JRNL        AUTH 4 L.J.PICKER,E.Y.JONES,A.J.MCMICHAEL,G.M.GILLESPIE             
JRNL        TITL   PATHOGEN-DERIVED HLA-E BOUND EPITOPES REVEAL BROAD PRIMARY   
JRNL        TITL 2 ANCHOR POCKET TOLERABILITY AND CONFORMATIONALLY MALLEABLE    
JRNL        TITL 3 PEPTIDE BINDING.                                             
JRNL        REF    NAT COMMUN                    V.   9  3137 2018              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   30087334                                                     
JRNL        DOI    10.1038/S41467-018-05459-Z                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.62 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
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) : 2.62                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 135.88                         
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.960                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 85.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 41354                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.226                           
REMARK   3   R VALUE            (WORKING SET) : 0.223                           
REMARK   3   FREE R VALUE                     : 0.273                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.110                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2112                            
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  2.7170 -  2.6230    0.00        0     0  0.3030 0.3156        
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)     : 0.340            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.200           
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      :  0.003          12744                                  
REMARK   3   ANGLE     :  0.616          17312                                  
REMARK   3   CHIRALITY :  0.043           1773                                  
REMARK   3   PLANARITY :  0.004           2263                                  
REMARK   3   DIHEDRAL  : 13.418           7532                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 45                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 84 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  19.6498   0.4487  46.6877              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1591 T22:   0.2926                                     
REMARK   3      T33:   0.2104 T12:   0.0139                                     
REMARK   3      T13:  -0.0433 T23:  -0.0300                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1249 L22:   1.3086                                     
REMARK   3      L33:   3.0681 L12:  -1.1159                                     
REMARK   3      L13:  -1.0780 L23:   0.8615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0257 S12:   0.6386 S13:   0.0373                       
REMARK   3      S21:  -0.2524 S22:  -0.1233 S23:   0.0374                       
REMARK   3      S31:  -0.1427 S32:  -0.3557 S33:   0.0711                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 85 THROUGH 137 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  19.2615  -1.4405  62.7456              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1471 T22:   0.2454                                     
REMARK   3      T33:   0.2226 T12:   0.0280                                     
REMARK   3      T13:  -0.0286 T23:  -0.0314                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6057 L22:   1.3725                                     
REMARK   3      L33:   3.7517 L12:   1.4690                                     
REMARK   3      L13:  -1.3086 L23:  -1.8122                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1929 S12:  -0.2293 S13:  -0.3957                       
REMARK   3      S21:   0.0252 S22:   0.0814 S23:  -0.3221                       
REMARK   3      S31:   0.3194 S32:   0.0473 S33:   0.0641                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 138 THROUGH 197 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  28.5672  -8.7156  55.4093              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2659 T22:   0.1052                                     
REMARK   3      T33:   0.2853 T12:   0.0211                                     
REMARK   3      T13:  -0.0001 T23:  -0.0262                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6516 L22:   0.8586                                     
REMARK   3      L33:   1.4949 L12:  -1.6512                                     
REMARK   3      L13:  -0.5645 L23:  -0.1184                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0564 S12:   0.2291 S13:  -0.3295                       
REMARK   3      S21:  -0.0744 S22:  -0.0466 S23:   0.0616                       
REMARK   3      S31:   0.2410 S32:  -0.1262 S33:   0.0860                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 198 THROUGH 274 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  54.3746  -5.5199  59.2191              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1530 T22:   0.2008                                     
REMARK   3      T33:   0.2138 T12:   0.0522                                     
REMARK   3      T13:  -0.0235 T23:   0.0171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4215 L22:   3.7569                                     
REMARK   3      L33:   4.0406 L12:   0.9133                                     
REMARK   3      L13:   1.0836 L23:   0.6704                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3177 S12:  -0.1486 S13:  -0.0157                       
REMARK   3      S21:   0.1078 S22:  -0.0109 S23:  -0.5149                       
REMARK   3      S31:   0.2276 S32:   0.1910 S33:  -0.2959                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 20 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  44.1669   6.9388  50.1834              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3547 T22:   0.2836                                     
REMARK   3      T33:   0.3082 T12:  -0.0981                                     
REMARK   3      T13:  -0.1987 T23:   0.0694                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7632 L22:   4.7789                                     
REMARK   3      L33:   6.1799 L12:  -0.9576                                     
REMARK   3      L13:  -1.8486 L23:   1.6988                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2939 S12:   0.4713 S13:   0.3335                       
REMARK   3      S21:  -0.4055 S22:  -0.3069 S23:   0.0254                       
REMARK   3      S31:  -0.4649 S32:   0.4250 S33:   0.4455                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 21 THROUGH 52 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  39.8509  12.0493  44.9147              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4355 T22:   0.5985                                     
REMARK   3      T33:   0.4503 T12:   0.0122                                     
REMARK   3      T13:   0.0017 T23:   0.3209                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1009 L22:   2.2665                                     
REMARK   3      L33:   2.9973 L12:   1.6862                                     
REMARK   3      L13:  -1.1448 L23:  -0.5575                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0061 S12:   1.3740 S13:   0.9028                       
REMARK   3      S21:  -0.5609 S22:  -0.3154 S23:  -0.2121                       
REMARK   3      S31:  -0.7078 S32:  -0.0172 S33:   0.0769                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 53 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  39.8445   6.7411  47.4143              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4177 T22:   0.3500                                     
REMARK   3      T33:   0.1995 T12:   0.0907                                     
REMARK   3      T13:  -0.1821 T23:   0.4311                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5098 L22:   1.9262                                     
REMARK   3      L33:   3.8078 L12:   0.3875                                     
REMARK   3      L13:  -0.9917 L23:  -0.2474                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3435 S12:   0.3423 S13:  -0.1085                       
REMARK   3      S21:  -0.6908 S22:  -0.2613 S23:  -0.1178                       
REMARK   3      S31:   0.0501 S32:   1.2269 S33:   0.4631                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 79 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  45.3746  15.1410  51.2463              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2843 T22:  -0.0035                                     
REMARK   3      T33:   1.0819 T12:  -0.2751                                     
REMARK   3      T13:  -0.0253 T23:   0.3629                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5484 L22:   0.3075                                     
REMARK   3      L33:   1.5963 L12:  -0.3496                                     
REMARK   3      L13:  -1.3884 L23:  -0.0440                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1634 S12:   0.0342 S13:   1.0625                       
REMARK   3      S21:  -0.0875 S22:   0.2132 S23:  -0.1828                       
REMARK   3      S31:  -0.3383 S32:   0.9487 S33:  -0.0980                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 56 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  62.7647 -20.2635  22.3324              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2128 T22:   0.6305                                     
REMARK   3      T33:   0.2778 T12:   0.0343                                     
REMARK   3      T13:  -0.0521 T23:  -0.0532                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4375 L22:   3.5097                                     
REMARK   3      L33:   2.9954 L12:  -1.1417                                     
REMARK   3      L13:   0.0050 L23:  -1.6170                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1362 S12:  -1.0858 S13:  -0.0592                       
REMARK   3      S21:   0.8297 S22:  -0.0137 S23:  -0.4314                       
REMARK   3      S31:  -0.3293 S32:  -0.2378 S33:  -0.0718                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 57 THROUGH 174 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  70.6512 -22.1863  10.2672              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1350 T22:   0.2745                                     
REMARK   3      T33:   0.2893 T12:   0.0425                                     
REMARK   3      T13:  -0.0632 T23:  -0.0177                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6118 L22:   2.0211                                     
REMARK   3      L33:   3.4229 L12:   0.2811                                     
REMARK   3      L13:  -1.2366 L23:  -1.0845                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0280 S12:  -0.5004 S13:  -0.1353                       
REMARK   3      S21:  -0.0906 S22:  -0.1031 S23:  -0.1361                       
REMARK   3      S31:   0.1999 S32:   0.2662 S33:   0.0472                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 175 THROUGH 274 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  32.6847 -24.3610  10.3438              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2485 T22:   0.1314                                     
REMARK   3      T33:   0.3394 T12:  -0.0471                                     
REMARK   3      T13:  -0.0665 T23:  -0.0520                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5419 L22:   2.3427                                     
REMARK   3      L33:   2.6974 L12:   0.1877                                     
REMARK   3      L13:  -0.3573 L23:  -0.3162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0168 S12:   0.2664 S13:  -0.1441                       
REMARK   3      S21:  -0.2909 S22:   0.1711 S23:   0.6083                       
REMARK   3      S31:   0.0843 S32:  -0.0548 S33:  -0.1584                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 1 THROUGH 12 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  48.9668  -8.1392  11.2634              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2025 T22:   0.1847                                     
REMARK   3      T33:   0.5043 T12:   0.0330                                     
REMARK   3      T13:  -0.0881 T23:  -0.0873                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7720 L22:   5.6708                                     
REMARK   3      L33:   7.6164 L12:   0.0377                                     
REMARK   3      L13:  -3.3393 L23:  -2.2762                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0322 S12:  -0.1766 S13:   0.0193                       
REMARK   3      S21:  -0.4550 S22:  -0.3481 S23:  -0.6874                       
REMARK   3      S31:  -0.5655 S32:   0.2677 S33:   0.1683                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 13 THROUGH 42 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  43.6887 -10.6863  22.3935              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2296 T22:   0.3669                                     
REMARK   3      T33:   0.5437 T12:   0.1144                                     
REMARK   3      T13:   0.1566 T23:  -0.2781                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3771 L22:   0.4753                                     
REMARK   3      L33:   0.7508 L12:  -1.1580                                     
REMARK   3      L13:  -0.6715 L23:   0.2945                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1138 S12:  -1.3009 S13:   0.8423                       
REMARK   3      S21:   0.4942 S22:   0.0724 S23:  -0.1788                       
REMARK   3      S31:   0.0432 S32:   0.4312 S33:  -0.0514                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 43 THROUGH 52 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  45.5862  -4.3752  29.7204              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6833 T22:   0.8857                                     
REMARK   3      T33:   0.4652 T12:   0.1867                                     
REMARK   3      T13:  -0.0102 T23:  -0.3740                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6774 L22:   3.8553                                     
REMARK   3      L33:   0.5125 L12:  -3.0305                                     
REMARK   3      L13:  -0.4918 L23:   0.9021                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3969 S12:  -0.2308 S13:   0.1739                       
REMARK   3      S21:   0.7376 S22:   0.0662 S23:  -0.3702                       
REMARK   3      S31:  -0.9904 S32:   0.9187 S33:  -0.4426                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 53 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  47.0481 -12.1437  20.5514              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2399 T22:  -0.0194                                     
REMARK   3      T33:   0.1365 T12:  -0.3271                                     
REMARK   3      T13:  -0.1632 T23:  -0.4339                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6667 L22:   0.6495                                     
REMARK   3      L33:   1.1722 L12:  -0.0652                                     
REMARK   3      L13:  -0.3259 L23:  -0.5350                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3290 S12:  -1.8418 S13:  -0.0068                       
REMARK   3      S21:  -0.2743 S22:   0.5306 S23:   0.2847                       
REMARK   3      S31:  -0.2155 S32:  -0.8638 S33:  -0.1480                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 79 THROUGH 91 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  46.9120   0.0317  16.4627              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3818 T22:  -0.9407                                     
REMARK   3      T33:   1.1084 T12:  -0.3402                                     
REMARK   3      T13:  -0.0696 T23:  -0.5741                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5269 L22:   0.5854                                     
REMARK   3      L33:   1.4851 L12:   0.7151                                     
REMARK   3      L13:  -1.6490 L23:  -0.6801                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2178 S12:  -0.4864 S13:   0.4390                       
REMARK   3      S21:   0.7095 S22:   0.0455 S23:   0.4026                       
REMARK   3      S31:  -0.6559 S32:  -0.1255 S33:  -0.0726                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 92 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  35.0269  -7.4622  18.0625              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1790 T22:   0.4620                                     
REMARK   3      T33:   0.6986 T12:   0.1962                                     
REMARK   3      T13:   0.0605 T23:  -0.2557                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2409 L22:   1.6744                                     
REMARK   3      L33:   1.6863 L12:  -0.4364                                     
REMARK   3      L13:  -0.5316 L23:  -0.5707                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2715 S12:   0.1463 S13:   0.1284                       
REMARK   3      S21:  -0.2464 S22:   0.4624 S23:   0.0841                       
REMARK   3      S31:   0.0867 S32:  -0.4743 S33:  -0.2138                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 1 THROUGH 84 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -27.0895  10.1406  11.0751              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1325 T22:   0.1964                                     
REMARK   3      T33:   0.2197 T12:  -0.0456                                     
REMARK   3      T13:  -0.0975 T23:   0.0197                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8421 L22:   1.8053                                     
REMARK   3      L33:   4.0628 L12:  -0.2302                                     
REMARK   3      L13:  -0.2998 L23:   0.2184                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0001 S12:  -0.0218 S13:   0.0029                       
REMARK   3      S21:  -0.0952 S22:  -0.0474 S23:   0.1583                       
REMARK   3      S31:  -0.3875 S32:  -0.2921 S33:   0.0434                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 85 THROUGH 118 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -26.0715   0.7283  20.2602              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3358 T22:   0.5121                                     
REMARK   3      T33:   0.3260 T12:  -0.0202                                     
REMARK   3      T13:  -0.1061 T23:   0.1582                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7697 L22:   2.9416                                     
REMARK   3      L33:   6.6919 L12:  -0.1203                                     
REMARK   3      L13:  -1.4062 L23:   2.3036                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1600 S12:  -0.8371 S13:  -0.7112                       
REMARK   3      S21:  -0.0354 S22:  -0.1501 S23:   0.2615                       
REMARK   3      S31:   0.2698 S32:   0.0133 S33:   0.2481                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 119 THROUGH 174 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -30.3994  -5.1301  17.3981              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3182 T22:   0.3693                                     
REMARK   3      T33:   0.3876 T12:  -0.0194                                     
REMARK   3      T13:  -0.0422 T23:   0.1175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0805 L22:   1.6956                                     
REMARK   3      L33:   5.2052 L12:  -0.3098                                     
REMARK   3      L13:  -1.5311 L23:   0.6543                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1931 S12:  -0.4016 S13:  -0.8947                       
REMARK   3      S21:   0.2117 S22:   0.0034 S23:   0.2487                       
REMARK   3      S31:   0.8978 S32:  -0.2826 S33:   0.1517                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 175 THROUGH 274 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   7.6879   2.2554  17.6360              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2941 T22:   0.8059                                     
REMARK   3      T33:   0.3378 T12:   0.1689                                     
REMARK   3      T13:   0.0224 T23:  -0.0535                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2090 L22:   1.6948                                     
REMARK   3      L33:   1.5820 L12:   1.2115                                     
REMARK   3      L13:   2.4560 L23:  -0.4031                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0504 S12:   0.4075 S13:  -0.6924                       
REMARK   3      S21:   0.0349 S22:   0.2449 S23:  -0.4249                       
REMARK   3      S31:   0.2605 S32:   1.0032 S33:  -0.2650                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 1 THROUGH 12 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -10.3454  13.2804  26.6867              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2859 T22:   0.4028                                     
REMARK   3      T33:   0.1929 T12:   0.0070                                     
REMARK   3      T13:  -0.0872 T23:  -0.0231                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.2946 L22:   5.7047                                     
REMARK   3      L33:   5.9195 L12:   4.8430                                     
REMARK   3      L13:  -3.6044 L23:  -4.1011                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4004 S12:  -0.4970 S13:  -0.6478                       
REMARK   3      S21:   0.5394 S22:  -0.7531 S23:  -0.4304                       
REMARK   3      S31:  -0.3164 S32:  -0.2270 S33:   0.2011                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 13 THROUGH 20 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3755  19.4111   8.6422              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5570 T22:   1.0915                                     
REMARK   3      T33:   0.4818 T12:  -0.1107                                     
REMARK   3      T13:   0.0316 T23:   0.3016                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6961 L22:   4.5376                                     
REMARK   3      L33:   5.2356 L12:   0.2991                                     
REMARK   3      L13:  -1.5833 L23:  -0.8588                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4017 S12:   0.5561 S13:   0.8197                       
REMARK   3      S21:  -0.6464 S22:  -0.1277 S23:  -1.0522                       
REMARK   3      S31:  -0.2218 S32:   1.3868 S33:   0.3386                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 21 THROUGH 31 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.7963  16.8483  16.8656              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3875 T22:   0.3841                                     
REMARK   3      T33:   0.2594 T12:  -0.0539                                     
REMARK   3      T13:  -0.1026 T23:   0.1275                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2264 L22:   3.4112                                     
REMARK   3      L33:   4.7019 L12:  -0.0111                                     
REMARK   3      L13:  -0.3932 L23:  -0.5953                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2722 S12:   0.1702 S13:   0.5329                       
REMARK   3      S21:  -0.6974 S22:  -0.0896 S23:  -0.2001                       
REMARK   3      S31:  -0.4138 S32:   0.2054 S33:   0.2417                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 32 THROUGH 42 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.7697  22.1753  22.8844              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4259 T22:   0.4981                                     
REMARK   3      T33:   0.3214 T12:   0.0067                                     
REMARK   3      T13:  -0.2376 T23:  -0.1596                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3502 L22:   2.9219                                     
REMARK   3      L33:   4.6525 L12:   1.1829                                     
REMARK   3      L13:  -3.8858 L23:  -1.3349                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3039 S12:  -0.6068 S13:   1.3540                       
REMARK   3      S21:   0.2382 S22:  -0.2122 S23:   0.1532                       
REMARK   3      S31:  -1.3931 S32:  -0.0689 S33:  -0.0060                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 43 THROUGH 52 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.5455  28.8233  15.5303              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6342 T22:   0.3073                                     
REMARK   3      T33:   0.5198 T12:   0.0555                                     
REMARK   3      T13:  -0.0636 T23:   0.1098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0437 L22:   7.5156                                     
REMARK   3      L33:   4.9235 L12:   5.8985                                     
REMARK   3      L13:   0.7024 L23:  -0.9523                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3269 S12:   0.3607 S13:   1.2009                       
REMARK   3      S21:  -0.0243 S22:   0.5781 S23:   1.1710                       
REMARK   3      S31:  -1.0173 S32:  -0.0889 S33:  -0.3051                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 53 THROUGH 72 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.6481  13.4788  17.3084              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2314 T22:   0.2517                                     
REMARK   3      T33:   0.1913 T12:   0.1157                                     
REMARK   3      T13:  -0.0660 T23:   0.0671                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3212 L22:   1.8537                                     
REMARK   3      L33:   2.5594 L12:   1.5952                                     
REMARK   3      L13:  -0.5245 L23:   0.3077                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3518 S12:  -0.1353 S13:   0.2940                       
REMARK   3      S21:  -0.4038 S22:  -0.1855 S23:  -0.2532                       
REMARK   3      S31:   0.0574 S32:   0.3343 S33:   0.4651                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 73 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   8.2701  29.4422  16.3983              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5845 T22:   0.7468                                     
REMARK   3      T33:   0.6920 T12:  -0.2032                                     
REMARK   3      T13:  -0.0457 T23:  -0.0430                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9913 L22:   3.1837                                     
REMARK   3      L33:   4.8947 L12:  -0.6292                                     
REMARK   3      L13:  -0.1376 L23:  -0.9458                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1813 S12:  -0.1928 S13:   1.6629                       
REMARK   3      S21:  -0.1615 S22:   0.0701 S23:  -0.7873                       
REMARK   3      S31:  -0.8437 S32:   1.7024 S33:  -0.2024                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 79 THROUGH 85 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.2803  23.8468  24.3900              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4321 T22:   0.3672                                     
REMARK   3      T33:   0.3801 T12:  -0.0118                                     
REMARK   3      T13:  -0.0697 T23:  -0.0876                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8395 L22:   1.8369                                     
REMARK   3      L33:   6.9248 L12:   0.6360                                     
REMARK   3      L13:  -4.9974 L23:  -2.3902                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1161 S12:  -0.2434 S13:   0.7545                       
REMARK   3      S21:  -0.1439 S22:   0.4751 S23:   0.0198                       
REMARK   3      S31:  -0.5582 S32:   0.2775 S33:  -0.2192                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 86 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.0996  20.6122  26.4467              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3699 T22:   0.6356                                     
REMARK   3      T33:   0.0952 T12:  -0.0540                                     
REMARK   3      T13:  -0.2554 T23:  -0.2150                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3222 L22:   2.8794                                     
REMARK   3      L33:   5.1921 L12:  -0.3513                                     
REMARK   3      L13:  -2.3140 L23:  -0.7198                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8997 S12:  -0.9388 S13:   1.2176                       
REMARK   3      S21:   0.2396 S22:  -0.1800 S23:  -1.0722                       
REMARK   3      S31:  -0.4006 S32:   0.5604 S33:   0.3743                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 1 THROUGH 37 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -12.5190   5.4018  55.9259              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1814 T22:   0.2094                                     
REMARK   3      T33:   0.2698 T12:   0.0404                                     
REMARK   3      T13:  -0.0363 T23:   0.0230                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8214 L22:   1.5417                                     
REMARK   3      L33:   3.9937 L12:  -1.6474                                     
REMARK   3      L13:   0.3116 L23:  -0.6802                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0907 S12:   0.4659 S13:   0.4755                       
REMARK   3      S21:   0.3744 S22:  -0.0321 S23:   0.6200                       
REMARK   3      S31:  -0.2298 S32:   0.2099 S33:   0.0309                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 38 THROUGH 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.5205   6.9532  67.5874              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5033 T22:   0.0813                                     
REMARK   3      T33:   0.1949 T12:   0.0644                                     
REMARK   3      T13:   0.0924 T23:   0.1427                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7957 L22:   3.9278                                     
REMARK   3      L33:   3.7771 L12:   2.2972                                     
REMARK   3      L13:  -1.0661 L23:  -1.1563                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0053 S12:  -1.0162 S13:   0.1289                       
REMARK   3      S21:   0.8001 S22:  -0.1904 S23:   0.6453                       
REMARK   3      S31:  -0.4772 S32:   0.7335 S33:   0.2989                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 57 THROUGH 174 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.6921  -3.2551  50.9213              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2350 T22:   0.3450                                     
REMARK   3      T33:   0.2614 T12:   0.0057                                     
REMARK   3      T13:  -0.0202 T23:  -0.0880                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8658 L22:   1.1015                                     
REMARK   3      L33:   2.1714 L12:  -0.4461                                     
REMARK   3      L13:  -0.9006 L23:  -0.2767                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1775 S12:   0.5551 S13:  -0.6277                       
REMARK   3      S21:  -0.0103 S22:   0.0626 S23:  -0.0440                       
REMARK   3      S31:   0.4152 S32:   0.0983 S33:   0.1778                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 175 THROUGH 201 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -40.5359  -0.8330  57.5910              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1284 T22:   0.6592                                     
REMARK   3      T33:   0.4413 T12:  -0.3725                                     
REMARK   3      T13:   0.3071 T23:  -0.1533                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5546 L22:   3.0730                                     
REMARK   3      L33:   2.4976 L12:  -0.4391                                     
REMARK   3      L13:  -0.6756 L23:  -0.4060                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6454 S12:   0.9860 S13:  -0.5242                       
REMARK   3      S21:   0.4412 S22:   0.0968 S23:   0.2678                       
REMARK   3      S31:   0.8088 S32:  -0.7841 S33:   0.3962                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 202 THROUGH 274 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -39.4066  -2.3137  52.2381              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4403 T22:   0.8447                                     
REMARK   3      T33:   0.5203 T12:  -0.3866                                     
REMARK   3      T13:   0.1440 T23:  -0.3736                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0606 L22:   1.1568                                     
REMARK   3      L33:   1.5366 L12:   0.1425                                     
REMARK   3      L13:   0.8805 L23:  -0.0651                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4717 S12:   1.0808 S13:  -1.1481                       
REMARK   3      S21:  -0.7437 S22:   0.0939 S23:   0.1884                       
REMARK   3      S31:   0.8939 S32:  -0.8762 S33:   0.2486                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 1 THROUGH 12 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -25.6992  11.2443  43.9817              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1686 T22:   0.4957                                     
REMARK   3      T33:   0.2506 T12:   0.0264                                     
REMARK   3      T13:  -0.0662 T23:   0.0311                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1191 L22:   2.6598                                     
REMARK   3      L33:   5.2400 L12:  -1.1710                                     
REMARK   3      L13:  -1.6922 L23:   0.5609                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2567 S12:   0.7940 S13:  -0.1796                       
REMARK   3      S21:  -0.1184 S22:  -0.5521 S23:  -0.3133                       
REMARK   3      S31:  -0.1480 S32:   0.0078 S33:   0.1509                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 13 THROUGH 31 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -35.5397  13.1154  57.8417              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0572 T22:   0.3004                                     
REMARK   3      T33:   0.1776 T12:  -0.0604                                     
REMARK   3      T13:  -0.0085 T23:   0.0040                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2876 L22:   2.3825                                     
REMARK   3      L33:   2.2832 L12:   1.1490                                     
REMARK   3      L13:   0.9796 L23:  -0.4679                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1311 S12:   0.5718 S13:   0.2361                       
REMARK   3      S21:   0.2529 S22:  -0.1052 S23:   0.5908                       
REMARK   3      S31:  -0.1772 S32:  -0.9433 S33:   0.0699                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 32 THROUGH 52 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7173  21.7741  53.5665              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4461 T22:   0.3300                                     
REMARK   3      T33:   0.1456 T12:  -0.0776                                     
REMARK   3      T13:  -0.0271 T23:   0.0617                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7610 L22:   5.5243                                     
REMARK   3      L33:   4.5752 L12:  -2.1662                                     
REMARK   3      L13:  -2.3441 L23:  -0.1576                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6751 S12:   0.1782 S13:   0.8417                       
REMARK   3      S21:   1.0580 S22:   0.3897 S23:  -0.4301                       
REMARK   3      S31:  -1.7804 S32:   0.6985 S33:  -0.5024                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 53 THROUGH 62 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -17.9634   4.3669  49.1602              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1937 T22:   0.2069                                     
REMARK   3      T33:   0.1581 T12:  -0.0853                                     
REMARK   3      T13:  -0.1541 T23:  -0.1285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1988 L22:   3.5219                                     
REMARK   3      L33:   6.9235 L12:  -1.7490                                     
REMARK   3      L13:  -1.9686 L23:   1.6920                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0214 S12:   0.5873 S13:  -0.9117                       
REMARK   3      S21:   0.1901 S22:   0.3262 S23:   0.0858                       
REMARK   3      S31:   0.3398 S32:  -0.0074 S33:  -0.1680                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 63 THROUGH 84 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -32.9021  18.7765  54.9146              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2813 T22:   0.2217                                     
REMARK   3      T33:   0.2947 T12:   0.0210                                     
REMARK   3      T13:  -0.0168 T23:   0.0164                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3824 L22:   1.6785                                     
REMARK   3      L33:   6.9048 L12:   0.4667                                     
REMARK   3      L13:  -4.4800 L23:   1.6199                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5726 S12:   0.5477 S13:   0.8283                       
REMARK   3      S21:  -0.1281 S22:  -0.1072 S23:   0.0630                       
REMARK   3      S31:  -1.3354 S32:  -0.4620 S33:  -0.3810                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 85 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -32.9794  18.2299  45.2916              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4313 T22:   0.7554                                     
REMARK   3      T33:   0.1808 T12:   0.1265                                     
REMARK   3      T13:  -0.0494 T23:   0.2063                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0120 L22:   1.3653                                     
REMARK   3      L33:   2.4742 L12:  -0.9669                                     
REMARK   3      L13:  -0.2343 L23:   1.2519                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2709 S12:   0.7584 S13:   0.5232                       
REMARK   3      S21:  -0.8189 S22:  -0.2910 S23:   0.3245                       
REMARK   3      S31:  -0.1144 S32:  -1.4091 S33:   0.2030                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: CHAIN 'P' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A):  11.3576  -3.7575  53.5872              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2894 T22:   0.4315                                     
REMARK   3      T33:   0.4699 T12:   0.0634                                     
REMARK   3      T13:   0.0131 T23:   0.0976                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.0135 L22:   3.4712                                     
REMARK   3      L33:   7.8534 L12:  -5.3094                                     
REMARK   3      L13:  -5.9287 L23:   4.2054                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8780 S12:   0.9629 S13:  -1.3388                       
REMARK   3      S21:   0.3278 S22:   0.1473 S23:   1.4670                       
REMARK   3      S31:  -0.3249 S32:   0.3007 S33:   0.6912                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: CHAIN 'R' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A): -34.5969   1.7176  13.2779              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4863 T22:   0.3416                                     
REMARK   3      T33:   0.4838 T12:   0.0020                                     
REMARK   3      T13:  -0.1558 T23:  -0.0048                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6451 L22:   1.2517                                     
REMARK   3      L33:   4.5474 L12:   0.0535                                     
REMARK   3      L13:  -3.1214 L23:  -1.5749                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0471 S12:   0.4098 S13:  -0.4779                       
REMARK   3      S21:   0.4295 S22:   0.1177 S23:   0.0354                       
REMARK   3      S31:   0.0377 S32:  -0.7765 S33:  -0.1528                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: CHAIN 'T' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.1369  -2.3748  55.0280              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2419 T22:   0.3928                                     
REMARK   3      T33:   0.3875 T12:   0.0175                                     
REMARK   3      T13:   0.0803 T23:  -0.0370                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.9294 L22:   4.5742                                     
REMARK   3      L33:   8.0257 L12:   1.2952                                     
REMARK   3      L13:  -5.9022 L23:  -0.6435                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3249 S12:  -0.5827 S13:   0.0104                       
REMARK   3      S21:  -0.1500 S22:   0.1547 S23:  -1.2032                       
REMARK   3      S31:  -0.0739 S32:   1.4137 S33:  -0.2731                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: CHAIN 'Q' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A):  75.0625 -23.2636  14.4837              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0680 T22:   0.6953                                     
REMARK   3      T33:   0.6602 T12:  -0.0301                                     
REMARK   3      T13:  -0.0969 T23:   0.3034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0202 L22:   0.2484                                     
REMARK   3      L33:   0.4173 L12:  -0.0819                                     
REMARK   3      L13:  -0.1387 L23:   0.3216                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2637 S12:  -1.1299 S13:  -1.2053                       
REMARK   3      S21:  -0.0918 S22:  -0.2575 S23:  -1.2215                       
REMARK   3      S31:  -0.1417 S32:   0.6888 S33:   0.1644                       
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 6GL1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-MAY-18.                  
REMARK 100 THE DEPOSITION ID IS D_1200010163.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-APR-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I24                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 6M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : XIA2                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 48641                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.620                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 135.878                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 6.600                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 5.2000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.62                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.66                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 2.34500                            
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: MOLREP                                                
REMARK 200 STARTING MODEL: 6GH1                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.35                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.25                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.4 M AMMONIUM SULPHATE, 0.1 M MES, PH   
REMARK 280  6, 0.05% DICHLOROMETHANE, VAPOR DIFFUSION, SITTING DROP,            
REMARK 280  TEMPERATURE 293.5K                                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000      122.41000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       24.11000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000      122.41000            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       24.11000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
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: 4750 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 19050 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -41.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, P                               
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: 4680 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 18790 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -33.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, Q                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4790 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 18940 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -42.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, R                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4600 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 18390 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -37.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, T                               
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 ZN    ZN G 301  LIES ON A SPECIAL POSITION.                          
REMARK 375 S    SO4 H 201  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY C    18                                                      
REMARK 465     HIS G   192                                                      
REMARK 465     PRO G   193                                                      
REMARK 465     ILE G   194                                                      
REMARK 465     SER G   195                                                      
REMARK 465     ASP G   196                                                      
REMARK 465     TRP G   217                                                      
REMARK 465     GLN G   218                                                      
REMARK 465     GLN G   219                                                      
REMARK 465     ASP G   220                                                      
REMARK 465     GLY G   221                                                      
REMARK 465     GLU G   222                                                      
REMARK 465     GLY G   223                                                      
REMARK 465     HIS G   224                                                      
REMARK 465     VAL G   247                                                      
REMARK 465     VAL G   248                                                      
REMARK 465     VAL G   249                                                      
REMARK 465     PRO G   250                                                      
REMARK 465     SER G   251                                                      
REMARK 465     GLY G   252                                                      
REMARK 465     GLU G   253                                                      
REMARK 465     GLU G   254                                                      
REMARK 465     GLN G   255                                                      
REMARK 465     ARG G   256                                                      
REMARK 465     TYR G   257                                                      
REMARK 465     THR G   258                                                      
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    LYS H    76     O    HOH H   301              1.84            
REMARK 500   O    HOH B   205     O    HOH B   224              1.89            
REMARK 500   O    ASP F    35     O    HOH F   201              1.91            
REMARK 500   OG   SER E     4     O    HOH E   401              1.91            
REMARK 500   O    HOH D   208     O    HOH D   217              1.92            
REMARK 500   O    GLU D    78     O    HOH D   201              1.93            
REMARK 500   NZ   LYS E   174     O    HOH E   402              1.93            
REMARK 500   O    HOH D   221     O    HOH D   225              1.95            
REMARK 500   OG1  THR A   228     O    HOH A   401              1.99            
REMARK 500   O    HOH F   213     O    HOH F   218              2.01            
REMARK 500   O    HOH A   425     O    HOH A   445              2.01            
REMARK 500   O    TYR G   118     O    HOH G   401              2.02            
REMARK 500   O    SER R     4     O    HOH R   101              2.04            
REMARK 500   OE2  GLU A    19     O    HOH A   402              2.05            
REMARK 500   O    ARG A    17     O    HOH A   403              2.05            
REMARK 500   O1   SO4 E   301     O    HOH E   403              2.06            
REMARK 500   SD   MET E    98     O    HOH E   443              2.07            
REMARK 500   NE2  GLN G   115     O    HOH G   402              2.08            
REMARK 500   NE2  GLN A    72     O    HOH A   404              2.08            
REMARK 500   OXT  TRP E   274     O    HOH E   404              2.09            
REMARK 500   OE1  GLU E    63     O    HOH E   405              2.12            
REMARK 500   OE2  GLU C   152     OG1  THR Q     6              2.14            
REMARK 500   O    VAL D    10     O    HOH D   202              2.16            
REMARK 500   OD2  ASP A   119     O    HOH A   405              2.16            
REMARK 500   O    HOH B   207     O    HOH B   217              2.17            
REMARK 500   OG1  THR C   178     O    HOH C   401              2.18            
REMARK 500   NH2  ARG B    13     O    HOH B   201              2.18            
REMARK 500   O    HOH C   454     O    HOH C   457              2.18            
REMARK 500   O    GLN G   226     O    HOH G   403              2.19            
REMARK 500   O    HOH A   422     O    HOH A   424              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH C   417     O    HOH E   440     3545     2.13            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    CYS A 101   CA  -  CB  -  SG  ANGL. DEV. =   8.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A  29     -123.80     60.27                                   
REMARK 500    TYR A 123      -69.84   -125.96                                   
REMARK 500    ASP A 137     -168.97   -160.83                                   
REMARK 500    ASP A 162      -70.46   -124.12                                   
REMARK 500    HIS A 224       79.90   -116.53                                   
REMARK 500    LYS B  49       71.86     37.08                                   
REMARK 500    ASP C  29     -126.05     62.35                                   
REMARK 500    TYR C 123      -69.20   -125.13                                   
REMARK 500    ASP C 137     -169.13   -160.06                                   
REMARK 500    ASP C 162      -70.76   -123.95                                   
REMARK 500    PRO C 210     -169.62    -79.55                                   
REMARK 500    ASP C 220     -122.41     57.40                                   
REMARK 500    ARG E  17       30.29    -86.07                                   
REMARK 500    ASP E  29     -124.39     60.22                                   
REMARK 500    TYR E 123      -71.46   -126.11                                   
REMARK 500    LEU E 130       19.82     59.57                                   
REMARK 500    ASP E 162      -70.55   -124.58                                   
REMARK 500    TRP F  61       -1.68     74.10                                   
REMARK 500    ASP G  29     -123.32     60.76                                   
REMARK 500    TYR G 123      -70.27   -124.33                                   
REMARK 500    ASP G 129       -8.12    -58.48                                   
REMARK 500    ASP G 137     -168.27   -160.75                                   
REMARK 500    ASP G 162      -69.62   -124.14                                   
REMARK 500    LYS H  49       64.80   -104.73                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN G 301  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS G 181   NE2                                                    
REMARK 620 2 GLU G 183   OE1  98.8                                              
REMARK 620 3 HIS G 181   NE2   0.0  98.8                                        
REMARK 620 4 GLU G 183   OE1  98.8   0.0  98.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 C 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 E 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 E 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN G 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 H 201                 
DBREF  6GL1 A    1   274  UNP    E2G051   E2G051_HUMAN    22    295             
DBREF  6GL1 B    2   100  UNP    P61769   B2MG_HUMAN      21    119             
DBREF  6GL1 C    1   274  UNP    E2G051   E2G051_HUMAN    22    295             
DBREF  6GL1 D    2   100  UNP    P61769   B2MG_HUMAN      21    119             
DBREF  6GL1 E    1   274  UNP    E2G051   E2G051_HUMAN    22    295             
DBREF  6GL1 F    2   100  UNP    P61769   B2MG_HUMAN      21    119             
DBREF  6GL1 G    1   274  UNP    E2G051   E2G051_HUMAN    22    295             
DBREF  6GL1 H    2   100  UNP    P61769   B2MG_HUMAN      21    119             
DBREF  6GL1 P    1     9  PDB    6GL1     6GL1             1      9             
DBREF  6GL1 R    1     9  PDB    6GL1     6GL1             1      9             
DBREF  6GL1 T    1     9  PDB    6GL1     6GL1             1      9             
DBREF  6GL1 Q    1     9  PDB    6GL1     6GL1             1      9             
SEQADV 6GL1 MET B    1  UNP  P61769              INITIATING METHIONINE          
SEQADV 6GL1 MET D    1  UNP  P61769              INITIATING METHIONINE          
SEQADV 6GL1 MET F    1  UNP  P61769              INITIATING METHIONINE          
SEQADV 6GL1 MET H    1  UNP  P61769              INITIATING METHIONINE          
SEQRES   1 A  274  GLY SER HIS SER LEU LYS TYR PHE HIS THR SER VAL SER          
SEQRES   2 A  274  ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER VAL GLY          
SEQRES   3 A  274  TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP ASN ASP          
SEQRES   4 A  274  ALA ALA SER PRO ARG MET VAL PRO ARG ALA PRO TRP MET          
SEQRES   5 A  274  GLU GLN GLU GLY SER GLU TYR TRP ASP ARG GLU THR ARG          
SEQRES   6 A  274  SER ALA ARG ASP THR ALA GLN ILE PHE ARG VAL ASN LEU          
SEQRES   7 A  274  ARG THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY          
SEQRES   8 A  274  SER HIS THR LEU GLN TRP MET HIS GLY CYS GLU LEU GLY          
SEQRES   9 A  274  PRO ASP GLY ARG PHE LEU ARG GLY TYR GLU GLN PHE ALA          
SEQRES  10 A  274  TYR ASP GLY LYS ASP TYR LEU THR LEU ASN GLU ASP LEU          
SEQRES  11 A  274  ARG SER TRP THR ALA VAL ASP THR ALA ALA GLN ILE SER          
SEQRES  12 A  274  GLU GLN LYS SER ASN ASP ALA SER GLU ALA GLU HIS GLN          
SEQRES  13 A  274  ARG ALA TYR LEU GLU ASP THR CYS VAL GLU TRP LEU HIS          
SEQRES  14 A  274  LYS TYR LEU GLU LYS GLY LYS GLU THR LEU LEU HIS LEU          
SEQRES  15 A  274  GLU PRO PRO LYS THR HIS VAL THR HIS HIS PRO ILE SER          
SEQRES  16 A  274  ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE          
SEQRES  17 A  274  TYR PRO ALA GLU ILE THR LEU THR TRP GLN GLN ASP GLY          
SEQRES  18 A  274  GLU GLY HIS THR GLN ASP THR GLU LEU VAL GLU THR ARG          
SEQRES  19 A  274  PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL          
SEQRES  20 A  274  VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS          
SEQRES  21 A  274  VAL GLN HIS GLU GLY LEU PRO GLU PRO VAL THR LEU ARG          
SEQRES  22 A  274  TRP                                                          
SEQRES   1 B  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
SEQRES   2 B  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
SEQRES   3 B  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
SEQRES   4 B  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
SEQRES   5 B  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
SEQRES   6 B  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
SEQRES   7 B  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
SEQRES   8 B  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
SEQRES   1 C  274  GLY SER HIS SER LEU LYS TYR PHE HIS THR SER VAL SER          
SEQRES   2 C  274  ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER VAL GLY          
SEQRES   3 C  274  TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP ASN ASP          
SEQRES   4 C  274  ALA ALA SER PRO ARG MET VAL PRO ARG ALA PRO TRP MET          
SEQRES   5 C  274  GLU GLN GLU GLY SER GLU TYR TRP ASP ARG GLU THR ARG          
SEQRES   6 C  274  SER ALA ARG ASP THR ALA GLN ILE PHE ARG VAL ASN LEU          
SEQRES   7 C  274  ARG THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY          
SEQRES   8 C  274  SER HIS THR LEU GLN TRP MET HIS GLY CYS GLU LEU GLY          
SEQRES   9 C  274  PRO ASP GLY ARG PHE LEU ARG GLY TYR GLU GLN PHE ALA          
SEQRES  10 C  274  TYR ASP GLY LYS ASP TYR LEU THR LEU ASN GLU ASP LEU          
SEQRES  11 C  274  ARG SER TRP THR ALA VAL ASP THR ALA ALA GLN ILE SER          
SEQRES  12 C  274  GLU GLN LYS SER ASN ASP ALA SER GLU ALA GLU HIS GLN          
SEQRES  13 C  274  ARG ALA TYR LEU GLU ASP THR CYS VAL GLU TRP LEU HIS          
SEQRES  14 C  274  LYS TYR LEU GLU LYS GLY LYS GLU THR LEU LEU HIS LEU          
SEQRES  15 C  274  GLU PRO PRO LYS THR HIS VAL THR HIS HIS PRO ILE SER          
SEQRES  16 C  274  ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE          
SEQRES  17 C  274  TYR PRO ALA GLU ILE THR LEU THR TRP GLN GLN ASP GLY          
SEQRES  18 C  274  GLU GLY HIS THR GLN ASP THR GLU LEU VAL GLU THR ARG          
SEQRES  19 C  274  PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL          
SEQRES  20 C  274  VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS          
SEQRES  21 C  274  VAL GLN HIS GLU GLY LEU PRO GLU PRO VAL THR LEU ARG          
SEQRES  22 C  274  TRP                                                          
SEQRES   1 D  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
SEQRES   2 D  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
SEQRES   3 D  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
SEQRES   4 D  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
SEQRES   5 D  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
SEQRES   6 D  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
SEQRES   7 D  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
SEQRES   8 D  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
SEQRES   1 E  274  GLY SER HIS SER LEU LYS TYR PHE HIS THR SER VAL SER          
SEQRES   2 E  274  ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER VAL GLY          
SEQRES   3 E  274  TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP ASN ASP          
SEQRES   4 E  274  ALA ALA SER PRO ARG MET VAL PRO ARG ALA PRO TRP MET          
SEQRES   5 E  274  GLU GLN GLU GLY SER GLU TYR TRP ASP ARG GLU THR ARG          
SEQRES   6 E  274  SER ALA ARG ASP THR ALA GLN ILE PHE ARG VAL ASN LEU          
SEQRES   7 E  274  ARG THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY          
SEQRES   8 E  274  SER HIS THR LEU GLN TRP MET HIS GLY CYS GLU LEU GLY          
SEQRES   9 E  274  PRO ASP GLY ARG PHE LEU ARG GLY TYR GLU GLN PHE ALA          
SEQRES  10 E  274  TYR ASP GLY LYS ASP TYR LEU THR LEU ASN GLU ASP LEU          
SEQRES  11 E  274  ARG SER TRP THR ALA VAL ASP THR ALA ALA GLN ILE SER          
SEQRES  12 E  274  GLU GLN LYS SER ASN ASP ALA SER GLU ALA GLU HIS GLN          
SEQRES  13 E  274  ARG ALA TYR LEU GLU ASP THR CYS VAL GLU TRP LEU HIS          
SEQRES  14 E  274  LYS TYR LEU GLU LYS GLY LYS GLU THR LEU LEU HIS LEU          
SEQRES  15 E  274  GLU PRO PRO LYS THR HIS VAL THR HIS HIS PRO ILE SER          
SEQRES  16 E  274  ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE          
SEQRES  17 E  274  TYR PRO ALA GLU ILE THR LEU THR TRP GLN GLN ASP GLY          
SEQRES  18 E  274  GLU GLY HIS THR GLN ASP THR GLU LEU VAL GLU THR ARG          
SEQRES  19 E  274  PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL          
SEQRES  20 E  274  VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS          
SEQRES  21 E  274  VAL GLN HIS GLU GLY LEU PRO GLU PRO VAL THR LEU ARG          
SEQRES  22 E  274  TRP                                                          
SEQRES   1 F  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
SEQRES   2 F  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
SEQRES   3 F  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
SEQRES   4 F  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
SEQRES   5 F  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
SEQRES   6 F  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
SEQRES   7 F  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
SEQRES   8 F  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
SEQRES   1 G  274  GLY SER HIS SER LEU LYS TYR PHE HIS THR SER VAL SER          
SEQRES   2 G  274  ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER VAL GLY          
SEQRES   3 G  274  TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP ASN ASP          
SEQRES   4 G  274  ALA ALA SER PRO ARG MET VAL PRO ARG ALA PRO TRP MET          
SEQRES   5 G  274  GLU GLN GLU GLY SER GLU TYR TRP ASP ARG GLU THR ARG          
SEQRES   6 G  274  SER ALA ARG ASP THR ALA GLN ILE PHE ARG VAL ASN LEU          
SEQRES   7 G  274  ARG THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY          
SEQRES   8 G  274  SER HIS THR LEU GLN TRP MET HIS GLY CYS GLU LEU GLY          
SEQRES   9 G  274  PRO ASP GLY ARG PHE LEU ARG GLY TYR GLU GLN PHE ALA          
SEQRES  10 G  274  TYR ASP GLY LYS ASP TYR LEU THR LEU ASN GLU ASP LEU          
SEQRES  11 G  274  ARG SER TRP THR ALA VAL ASP THR ALA ALA GLN ILE SER          
SEQRES  12 G  274  GLU GLN LYS SER ASN ASP ALA SER GLU ALA GLU HIS GLN          
SEQRES  13 G  274  ARG ALA TYR LEU GLU ASP THR CYS VAL GLU TRP LEU HIS          
SEQRES  14 G  274  LYS TYR LEU GLU LYS GLY LYS GLU THR LEU LEU HIS LEU          
SEQRES  15 G  274  GLU PRO PRO LYS THR HIS VAL THR HIS HIS PRO ILE SER          
SEQRES  16 G  274  ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE          
SEQRES  17 G  274  TYR PRO ALA GLU ILE THR LEU THR TRP GLN GLN ASP GLY          
SEQRES  18 G  274  GLU GLY HIS THR GLN ASP THR GLU LEU VAL GLU THR ARG          
SEQRES  19 G  274  PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL          
SEQRES  20 G  274  VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS          
SEQRES  21 G  274  VAL GLN HIS GLU GLY LEU PRO GLU PRO VAL THR LEU ARG          
SEQRES  22 G  274  TRP                                                          
SEQRES   1 H  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
SEQRES   2 H  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
SEQRES   3 H  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
SEQRES   4 H  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
SEQRES   5 H  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
SEQRES   6 H  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
SEQRES   7 H  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
SEQRES   8 H  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
SEQRES   1 P    9  ARG MET TYR SER PRO THR SER ILE LEU                          
SEQRES   1 R    9  ARG MET TYR SER PRO THR SER ILE LEU                          
SEQRES   1 T    9  ARG MET TYR SER PRO THR SER ILE LEU                          
SEQRES   1 Q    9  ARG MET TYR SER PRO THR SER ILE LEU                          
HET    SO4  A 301       5                                                       
HET    SO4  A 302       5                                                       
HET    SO4  C 301       5                                                       
HET    SO4  E 301       5                                                       
HET    SO4  E 302       5                                                       
HET     ZN  G 301       1                                                       
HET    SO4  H 201       5                                                       
HETNAM     SO4 SULFATE ION                                                      
HETNAM      ZN ZINC ION                                                         
FORMUL  13  SO4    6(O4 S 2-)                                                   
FORMUL  18   ZN    ZN 2+                                                        
FORMUL  20  HOH   *306(H2 O)                                                    
HELIX    1 AA1 ALA A   49  GLU A   55  5                                   7    
HELIX    2 AA2 GLY A   56  TYR A   85  1                                  30    
HELIX    3 AA3 ASP A  137  ALA A  150  1                                  14    
HELIX    4 AA4 SER A  151  ASP A  162  1                                  12    
HELIX    5 AA5 ASP A  162  GLY A  175  1                                  14    
HELIX    6 AA6 GLY A  175  LEU A  180  1                                   6    
HELIX    7 AA7 GLU A  253  GLN A  255  5                                   3    
HELIX    8 AA8 ALA C   49  GLU C   55  5                                   7    
HELIX    9 AA9 GLY C   56  TYR C   85  1                                  30    
HELIX   10 AB1 ASP C  137  ALA C  150  1                                  14    
HELIX   11 AB2 SER C  151  ASP C  162  1                                  12    
HELIX   12 AB3 ASP C  162  GLY C  175  1                                  14    
HELIX   13 AB4 GLY C  175  LEU C  180  1                                   6    
HELIX   14 AB5 GLU C  253  GLN C  255  5                                   3    
HELIX   15 AB6 ALA E   49  GLU E   55  5                                   7    
HELIX   16 AB7 GLY E   56  TYR E   85  1                                  30    
HELIX   17 AB8 ASP E  137  ALA E  150  1                                  14    
HELIX   18 AB9 SER E  151  ASP E  162  1                                  12    
HELIX   19 AC1 ASP E  162  GLY E  175  1                                  14    
HELIX   20 AC2 GLY E  175  LEU E  180  1                                   6    
HELIX   21 AC3 GLU E  253  GLN E  255  5                                   3    
HELIX   22 AC4 ALA G   49  GLU G   53  5                                   5    
HELIX   23 AC5 GLY G   56  TYR G   85  1                                  30    
HELIX   24 AC6 ASP G  137  ALA G  150  1                                  14    
HELIX   25 AC7 SER G  151  ASP G  162  1                                  12    
HELIX   26 AC8 ASP G  162  GLY G  175  1                                  14    
HELIX   27 AC9 GLY G  175  LEU G  180  1                                   6    
SHEET    1 AA1 8 VAL A  46  PRO A  47  0                                        
SHEET    2 AA1 8 THR A  31  ASP A  37 -1  N  ARG A  35   O  VAL A  46           
SHEET    3 AA1 8 ARG A  21  VAL A  28 -1  N  SER A  24   O  PHE A  36           
SHEET    4 AA1 8 HIS A   3  VAL A  12 -1  N  LYS A   6   O  TYR A  27           
SHEET    5 AA1 8 THR A  94  LEU A 103 -1  O  LEU A 103   N  HIS A   3           
SHEET    6 AA1 8 PHE A 109  TYR A 118 -1  O  ALA A 117   N  GLN A  96           
SHEET    7 AA1 8 LYS A 121  LEU A 126 -1  O  LEU A 124   N  PHE A 116           
SHEET    8 AA1 8 TRP A 133  ALA A 135 -1  O  THR A 134   N  THR A 125           
SHEET    1 AA2 4 LYS A 186  HIS A 192  0                                        
SHEET    2 AA2 4 GLU A 198  PHE A 208 -1  O  THR A 200   N  HIS A 192           
SHEET    3 AA2 4 PHE A 241  PRO A 250 -1  O  ALA A 245   N  CYS A 203           
SHEET    4 AA2 4 ASP A 227  LEU A 230 -1  N  ASP A 227   O  VAL A 248           
SHEET    1 AA3 4 LYS A 186  HIS A 192  0                                        
SHEET    2 AA3 4 GLU A 198  PHE A 208 -1  O  THR A 200   N  HIS A 192           
SHEET    3 AA3 4 PHE A 241  PRO A 250 -1  O  ALA A 245   N  CYS A 203           
SHEET    4 AA3 4 ARG A 234  PRO A 235 -1  N  ARG A 234   O  GLN A 242           
SHEET    1 AA4 3 THR A 214  GLN A 219  0                                        
SHEET    2 AA4 3 TYR A 257  GLN A 262 -1  O  HIS A 260   N  THR A 216           
SHEET    3 AA4 3 VAL A 270  LEU A 272 -1  O  VAL A 270   N  VAL A 261           
SHEET    1 AA5 4 LYS B   7  SER B  12  0                                        
SHEET    2 AA5 4 ASN B  22  PHE B  31 -1  O  ASN B  25   N  TYR B  11           
SHEET    3 AA5 4 PHE B  63  PHE B  71 -1  O  TYR B  67   N  CYS B  26           
SHEET    4 AA5 4 GLU B  51  HIS B  52 -1  N  GLU B  51   O  TYR B  68           
SHEET    1 AA6 4 LYS B   7  SER B  12  0                                        
SHEET    2 AA6 4 ASN B  22  PHE B  31 -1  O  ASN B  25   N  TYR B  11           
SHEET    3 AA6 4 PHE B  63  PHE B  71 -1  O  TYR B  67   N  CYS B  26           
SHEET    4 AA6 4 SER B  56  PHE B  57 -1  N  SER B  56   O  TYR B  64           
SHEET    1 AA7 4 GLU B  45  ARG B  46  0                                        
SHEET    2 AA7 4 ILE B  36  LYS B  42 -1  N  LYS B  42   O  GLU B  45           
SHEET    3 AA7 4 TYR B  79  HIS B  85 -1  O  ASN B  84   N  GLU B  37           
SHEET    4 AA7 4 LYS B  92  LYS B  95 -1  O  LYS B  92   N  VAL B  83           
SHEET    1 AA8 8 VAL C  46  PRO C  47  0                                        
SHEET    2 AA8 8 THR C  31  ASP C  37 -1  N  ARG C  35   O  VAL C  46           
SHEET    3 AA8 8 ARG C  21  VAL C  28 -1  N  SER C  24   O  PHE C  36           
SHEET    4 AA8 8 HIS C   3  VAL C  12 -1  N  LYS C   6   O  TYR C  27           
SHEET    5 AA8 8 THR C  94  LEU C 103 -1  O  LEU C 103   N  HIS C   3           
SHEET    6 AA8 8 PHE C 109  TYR C 118 -1  O  ALA C 117   N  GLN C  96           
SHEET    7 AA8 8 LYS C 121  LEU C 126 -1  O  LEU C 124   N  PHE C 116           
SHEET    8 AA8 8 TRP C 133  ALA C 135 -1  O  THR C 134   N  THR C 125           
SHEET    1 AA9 4 LYS C 186  PRO C 193  0                                        
SHEET    2 AA9 4 GLU C 198  PHE C 208 -1  O  THR C 200   N  HIS C 192           
SHEET    3 AA9 4 PHE C 241  PRO C 250 -1  O  VAL C 249   N  ALA C 199           
SHEET    4 AA9 4 GLU C 229  LEU C 230 -1  N  GLU C 229   O  ALA C 246           
SHEET    1 AB1 4 LYS C 186  PRO C 193  0                                        
SHEET    2 AB1 4 GLU C 198  PHE C 208 -1  O  THR C 200   N  HIS C 192           
SHEET    3 AB1 4 PHE C 241  PRO C 250 -1  O  VAL C 249   N  ALA C 199           
SHEET    4 AB1 4 ARG C 234  PRO C 235 -1  N  ARG C 234   O  GLN C 242           
SHEET    1 AB2 3 ILE C 213  GLN C 219  0                                        
SHEET    2 AB2 3 TYR C 257  HIS C 263 -1  O  THR C 258   N  GLN C 218           
SHEET    3 AB2 3 VAL C 270  LEU C 272 -1  O  LEU C 272   N  CYS C 259           
SHEET    1 AB3 4 LYS D   7  SER D  12  0                                        
SHEET    2 AB3 4 ASN D  22  PHE D  31 -1  O  ASN D  25   N  TYR D  11           
SHEET    3 AB3 4 PHE D  63  PHE D  71 -1  O  THR D  69   N  LEU D  24           
SHEET    4 AB3 4 GLU D  51  HIS D  52 -1  N  GLU D  51   O  TYR D  68           
SHEET    1 AB4 4 LYS D   7  SER D  12  0                                        
SHEET    2 AB4 4 ASN D  22  PHE D  31 -1  O  ASN D  25   N  TYR D  11           
SHEET    3 AB4 4 PHE D  63  PHE D  71 -1  O  THR D  69   N  LEU D  24           
SHEET    4 AB4 4 SER D  56  PHE D  57 -1  N  SER D  56   O  TYR D  64           
SHEET    1 AB5 4 GLU D  45  ARG D  46  0                                        
SHEET    2 AB5 4 ILE D  36  LYS D  42 -1  N  LYS D  42   O  GLU D  45           
SHEET    3 AB5 4 TYR D  79  HIS D  85 -1  O  ASN D  84   N  GLU D  37           
SHEET    4 AB5 4 LYS D  92  LYS D  95 -1  O  VAL D  94   N  CYS D  81           
SHEET    1 AB6 8 VAL E  46  PRO E  47  0                                        
SHEET    2 AB6 8 THR E  31  ASP E  37 -1  N  ARG E  35   O  VAL E  46           
SHEET    3 AB6 8 ARG E  21  VAL E  28 -1  N  SER E  24   O  PHE E  36           
SHEET    4 AB6 8 HIS E   3  VAL E  12 -1  N  LYS E   6   O  TYR E  27           
SHEET    5 AB6 8 THR E  94  LEU E 103 -1  O  LEU E 103   N  HIS E   3           
SHEET    6 AB6 8 PHE E 109  TYR E 118 -1  O  ALA E 117   N  GLN E  96           
SHEET    7 AB6 8 LYS E 121  LEU E 126 -1  O  LEU E 126   N  GLU E 114           
SHEET    8 AB6 8 TRP E 133  ALA E 135 -1  O  THR E 134   N  THR E 125           
SHEET    1 AB7 4 LYS E 186  PRO E 193  0                                        
SHEET    2 AB7 4 GLU E 198  PHE E 208 -1  O  THR E 200   N  HIS E 192           
SHEET    3 AB7 4 PHE E 241  PRO E 250 -1  O  ALA E 245   N  CYS E 203           
SHEET    4 AB7 4 THR E 228  LEU E 230 -1  N  GLU E 229   O  ALA E 246           
SHEET    1 AB8 4 LYS E 186  PRO E 193  0                                        
SHEET    2 AB8 4 GLU E 198  PHE E 208 -1  O  THR E 200   N  HIS E 192           
SHEET    3 AB8 4 PHE E 241  PRO E 250 -1  O  ALA E 245   N  CYS E 203           
SHEET    4 AB8 4 ARG E 234  PRO E 235 -1  N  ARG E 234   O  GLN E 242           
SHEET    1 AB9 3 ILE E 213  GLN E 219  0                                        
SHEET    2 AB9 3 TYR E 257  HIS E 263 -1  O  THR E 258   N  GLN E 218           
SHEET    3 AB9 3 VAL E 270  LEU E 272 -1  O  VAL E 270   N  VAL E 261           
SHEET    1 AC1 2 ILE F   2  ARG F   4  0                                        
SHEET    2 AC1 2 ILE H   2  ARG H   4 -1  O  GLN H   3   N  GLN F   3           
SHEET    1 AC2 4 LYS F   7  SER F  12  0                                        
SHEET    2 AC2 4 ASN F  22  PHE F  31 -1  O  ASN F  25   N  TYR F  11           
SHEET    3 AC2 4 PHE F  63  PHE F  71 -1  O  PHE F  63   N  PHE F  31           
SHEET    4 AC2 4 GLU F  51  HIS F  52 -1  N  GLU F  51   O  TYR F  68           
SHEET    1 AC3 4 LYS F   7  SER F  12  0                                        
SHEET    2 AC3 4 ASN F  22  PHE F  31 -1  O  ASN F  25   N  TYR F  11           
SHEET    3 AC3 4 PHE F  63  PHE F  71 -1  O  PHE F  63   N  PHE F  31           
SHEET    4 AC3 4 SER F  56  PHE F  57 -1  N  SER F  56   O  TYR F  64           
SHEET    1 AC4 4 GLU F  45  ARG F  46  0                                        
SHEET    2 AC4 4 ILE F  36  LYS F  42 -1  N  LYS F  42   O  GLU F  45           
SHEET    3 AC4 4 TYR F  79  HIS F  85 -1  O  ASN F  84   N  GLU F  37           
SHEET    4 AC4 4 LYS F  92  LYS F  95 -1  O  LYS F  92   N  VAL F  83           
SHEET    1 AC5 8 VAL G  46  PRO G  47  0                                        
SHEET    2 AC5 8 THR G  31  ASP G  37 -1  N  ARG G  35   O  VAL G  46           
SHEET    3 AC5 8 ARG G  21  VAL G  28 -1  N  SER G  24   O  PHE G  36           
SHEET    4 AC5 8 HIS G   3  VAL G  12 -1  N  LYS G   6   O  TYR G  27           
SHEET    5 AC5 8 THR G  94  LEU G 103 -1  O  LEU G 103   N  HIS G   3           
SHEET    6 AC5 8 PHE G 109  TYR G 118 -1  O  ALA G 117   N  GLN G  96           
SHEET    7 AC5 8 LYS G 121  LEU G 126 -1  O  LEU G 124   N  PHE G 116           
SHEET    8 AC5 8 TRP G 133  ALA G 135 -1  O  THR G 134   N  THR G 125           
SHEET    1 AC6 4 LYS G 186  THR G 190  0                                        
SHEET    2 AC6 4 ARG G 202  PHE G 208 -1  O  ARG G 202   N  THR G 190           
SHEET    3 AC6 4 PHE G 241  ALA G 245 -1  O  ALA G 245   N  CYS G 203           
SHEET    4 AC6 4 ARG G 234  PRO G 235 -1  N  ARG G 234   O  GLN G 242           
SHEET    1 AC7 3 THR G 214  LEU G 215  0                                        
SHEET    2 AC7 3 HIS G 260  GLN G 262 -1  O  GLN G 262   N  THR G 214           
SHEET    3 AC7 3 VAL G 270  THR G 271 -1  O  VAL G 270   N  VAL G 261           
SHEET    1 AC8 4 VAL H  10  SER H  12  0                                        
SHEET    2 AC8 4 ASN H  22  PHE H  31 -1  O  ASN H  25   N  TYR H  11           
SHEET    3 AC8 4 PHE H  63  PHE H  71 -1  O  PHE H  71   N  ASN H  22           
SHEET    4 AC8 4 GLU H  51  HIS H  52 -1  N  GLU H  51   O  TYR H  68           
SHEET    1 AC9 4 VAL H  10  SER H  12  0                                        
SHEET    2 AC9 4 ASN H  22  PHE H  31 -1  O  ASN H  25   N  TYR H  11           
SHEET    3 AC9 4 PHE H  63  PHE H  71 -1  O  PHE H  71   N  ASN H  22           
SHEET    4 AC9 4 SER H  56  PHE H  57 -1  N  SER H  56   O  TYR H  64           
SHEET    1 AD1 4 GLU H  45  ARG H  46  0                                        
SHEET    2 AD1 4 GLU H  37  LYS H  42 -1  N  LYS H  42   O  GLU H  45           
SHEET    3 AD1 4 TYR H  79  ASN H  84 -1  O  ARG H  82   N  ASP H  39           
SHEET    4 AD1 4 LYS H  92  LYS H  95 -1  O  LYS H  92   N  VAL H  83           
SSBOND   1 CYS A  101    CYS A  164                          1555   1555  2.03  
SSBOND   2 CYS A  203    CYS A  259                          1555   1555  2.02  
SSBOND   3 CYS B   26    CYS B   81                          1555   1555  2.03  
SSBOND   4 CYS C  101    CYS C  164                          1555   1555  2.04  
SSBOND   5 CYS C  203    CYS C  259                          1555   1555  2.02  
SSBOND   6 CYS D   26    CYS D   81                          1555   1555  2.03  
SSBOND   7 CYS E  101    CYS E  164                          1555   1555  2.04  
SSBOND   8 CYS E  203    CYS E  259                          1555   1555  2.03  
SSBOND   9 CYS F   26    CYS F   81                          1555   1555  2.03  
SSBOND  10 CYS G  101    CYS G  164                          1555   1555  2.04  
SSBOND  11 CYS G  203    CYS G  259                          1555   1555  2.02  
SSBOND  12 CYS H   26    CYS H   81                          1555   1555  2.03  
LINK         NE2 HIS G 181                ZN    ZN G 301     1555   1555  2.14  
LINK         OE1 GLU G 183                ZN    ZN G 301     1555   1555  2.07  
LINK         NE2 HIS G 181                ZN    ZN G 301     1555   2556  2.14  
LINK         OE1 GLU G 183                ZN    ZN G 301     1555   2556  2.07  
CISPEP   1 TYR A  209    PRO A  210          0         3.14                     
CISPEP   2 HIS B   32    PRO B   33          0         2.69                     
CISPEP   3 TYR C  209    PRO C  210          0         1.11                     
CISPEP   4 HIS D   32    PRO D   33          0         1.21                     
CISPEP   5 TYR E  209    PRO E  210          0         2.60                     
CISPEP   6 HIS F   32    PRO F   33          0         1.20                     
CISPEP   7 TYR G  209    PRO G  210          0         2.66                     
CISPEP   8 HIS H   32    PRO H   33          0         1.50                     
SITE     1 AC1  4 GLN A 219  THR A 225  ALA G  40  ALA G  41                    
SITE     1 AC2  1 ARG A  21                                                     
SITE     1 AC3  3 ARG C  75  ARG C  79  ARG E  75                               
SITE     1 AC4  6 HIS C 224  SER E  42  ARG E  44  ARG E  68                    
SITE     2 AC4  6 HOH E 403  HOH E 436                                          
SITE     1 AC5  2 ARG E  21  HOH E 410                                          
SITE     1 AC6  2 HIS G 181  GLU G 183                                          
SITE     1 AC7  2 ARG H  13  HIS H  14                                          
CRYST1  244.820   48.220  153.020  90.00 117.38  90.00 C 1 2 1      16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.004085  0.000000  0.002115        0.00000                         
SCALE2      0.000000  0.020738  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007360        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system