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Entry: 6I5N
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HEADER    SIGNALING PROTEIN                       14-NOV-18   6I5N              
TITLE     CRYSTAL STRUCTURE OF SOCS2:ELONGIN C:ELONGIN B IN COMPLEX WITH GROWTH 
TITLE    2 HORMONE RECEPTOR PEPTIDE                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUPPRESSOR OF CYTOKINE SIGNALING 2;                        
COMPND   3 CHAIN: A, D;                                                         
COMPND   4 SYNONYM: SOCS-2,CYTOKINE-INDUCIBLE SH2 PROTEIN 2,CIS-2,STAT-INDUCED  
COMPND   5 STAT INHIBITOR 2,SSI-2;                                              
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: ELONGIN-B;                                                 
COMPND   9 CHAIN: B, E;                                                         
COMPND  10 SYNONYM: ELOB,ELONGIN 18 KDA SUBUNIT,RNA POLYMERASE II TRANSCRIPTION 
COMPND  11 FACTOR SIII SUBUNIT B,SIII P18,TRANSCRIPTION ELONGATION FACTOR B     
COMPND  12 POLYPEPTIDE 2;                                                       
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MOL_ID: 3;                                                           
COMPND  15 MOLECULE: ELONGIN-C;                                                 
COMPND  16 CHAIN: C, F;                                                         
COMPND  17 SYNONYM: ELOC,ELONGIN 15 KDA SUBUNIT,RNA POLYMERASE II TRANSCRIPTION 
COMPND  18 FACTOR SIII SUBUNIT C,SIII P15,TRANSCRIPTION ELONGATION FACTOR B     
COMPND  19 POLYPEPTIDE 1;                                                       
COMPND  20 ENGINEERED: YES;                                                     
COMPND  21 MOL_ID: 4;                                                           
COMPND  22 MOLECULE: GROWTH HORMONE RECEPTOR PEPTIDE;                           
COMPND  23 CHAIN: J, K, I, L;                                                   
COMPND  24 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: SOCS2, CIS2, SSI2, STATI2;                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: ELOB, TCEB2;                                                   
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  17 ORGANISM_COMMON: HUMAN;                                              
SOURCE  18 ORGANISM_TAXID: 9606;                                                
SOURCE  19 GENE: ELOC, TCEB1;                                                   
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  22 MOL_ID: 4;                                                           
SOURCE  23 SYNTHETIC: YES;                                                      
SOURCE  24 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  25 ORGANISM_COMMON: HUMAN;                                              
SOURCE  26 ORGANISM_TAXID: 9606                                                 
KEYWDS    COMPLEX, SIGNALING PROTEIN                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.W.KUNG,S.RAMACHANDRAN,N.MAKUKHIN,E.BRUNO,A.CIULLI                   
REVDAT   3   19-JUN-19 6I5N    1       JRNL                                     
REVDAT   2   12-JUN-19 6I5N    1       TITLE  AUTHOR                            
REVDAT   1   29-MAY-19 6I5N    0                                                
JRNL        AUTH   W.W.KUNG,S.RAMACHANDRAN,N.MAKUKHIN,E.BRUNO,A.CIULLI          
JRNL        TITL   STRUCTURAL INSIGHTS INTO SUBSTRATE RECOGNITION BY THE SOCS2  
JRNL        TITL 2 E3 UBIQUITIN LIGASE.                                         
JRNL        REF    NAT COMMUN                    V.  10  2534 2019              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   31182716                                                     
JRNL        DOI    10.1038/S41467-019-10190-4                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.98 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (DEV_2420: ???)                               
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) : 1.98                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 54.04                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 72170                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.191                           
REMARK   3   R VALUE            (WORKING SET) : 0.190                           
REMARK   3   FREE R VALUE                     : 0.226                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 2.720                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3750                            
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 54.0620 -  5.9375    1.00     4960   137  0.1931 0.2021        
REMARK   3     2  5.9375 -  4.7136    1.00     4963   139  0.1706 0.1570        
REMARK   3     3  4.7136 -  4.1180    1.00     4943   139  0.1323 0.1459        
REMARK   3     4  4.1180 -  3.7416    1.00     4991   141  0.1490 0.1873        
REMARK   3     5  3.7416 -  3.4735    1.00     4979   137  0.1699 0.2235        
REMARK   3     6  3.4735 -  3.2687    1.00     4953   141  0.1766 0.1897        
REMARK   3     7  3.2687 -  3.1050    1.00     4958   143  0.1958 0.2604        
REMARK   3     8  3.1050 -  2.9699    1.00     4989   140  0.2038 0.2237        
REMARK   3     9  2.9699 -  2.8556    1.00     4957   135  0.2001 0.2515        
REMARK   3    10  2.8556 -  2.7570    1.00     4912   138  0.2063 0.3097        
REMARK   3    11  2.7570 -  2.6708    1.00     5063   141  0.2133 0.2887        
REMARK   3    12  2.6708 -  2.5945    1.00     4884   141  0.2002 0.2703        
REMARK   3    13  2.5945 -  2.5262    1.00     4961   141  0.1971 0.2971        
REMARK   3    14  2.5262 -  2.4645    1.00     5006   138  0.1962 0.2640        
REMARK   3    15  2.4645 -  2.4085    1.00     4914   138  0.1991 0.3042        
REMARK   3    16  2.4085 -  2.3573    1.00     4994   138  0.1965 0.2352        
REMARK   3    17  2.3573 -  2.3101    1.00     4928   140  0.1964 0.2579        
REMARK   3    18  2.3101 -  2.2665    1.00     4997   142  0.1987 0.2270        
REMARK   3    19  2.2665 -  2.2260    1.00     4926   134  0.2190 0.2455        
REMARK   3    20  2.2260 -  2.1883    1.00     5034   140  0.2144 0.2512        
REMARK   3    21  2.1883 -  2.1530    1.00     4921   142  0.2153 0.2412        
REMARK   3    22  2.1530 -  2.1199    1.00     4981   134  0.2204 0.2229        
REMARK   3    23  2.1199 -  2.0887    1.00     4955   134  0.2314 0.2364        
REMARK   3    24  2.0887 -  2.0593    1.00     4932   138  0.2322 0.2761        
REMARK   3    25  2.0593 -  2.0314    1.00     5023   142  0.2490 0.2619        
REMARK   3    26  2.0314 -  2.0051    1.00     4957   135  0.2671 0.2642        
REMARK   3    27  2.0051 -  1.9800    1.00     4906   142  0.2766 0.3114        
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)     : 0.230            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.680           
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      :  0.010           6048                                  
REMARK   3   ANGLE     :  1.064           8201                                  
REMARK   3   CHIRALITY :  0.067            945                                  
REMARK   3   PLANARITY :  0.006           1026                                  
REMARK   3   DIHEDRAL  : 17.646           3629                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 43                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 30 THROUGH 54 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -16.0659  31.0492 -26.5836              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1167 T22:   0.2444                                     
REMARK   3      T33:   0.2385 T12:  -0.0417                                     
REMARK   3      T13:  -0.0163 T23:   0.0102                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5119 L22:   1.9898                                     
REMARK   3      L33:   7.4179 L12:   0.4658                                     
REMARK   3      L13:  -0.5126 L23:  -2.1284                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1574 S12:  -0.0546 S13:   0.0435                       
REMARK   3      S21:   0.1205 S22:   0.1348 S23:   0.3245                       
REMARK   3      S31:  -0.0015 S32:  -0.2282 S33:  -0.2770                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 55 THROUGH 69 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.0022  37.3208 -43.2955              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2529 T22:   0.6166                                     
REMARK   3      T33:   0.2357 T12:  -0.0180                                     
REMARK   3      T13:   0.0201 T23:   0.0935                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7156 L22:   8.8189                                     
REMARK   3      L33:   5.8127 L12:   0.2800                                     
REMARK   3      L13:  -0.1238 L23:   0.8179                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0928 S12:   1.1279 S13:   0.2075                       
REMARK   3      S21:  -0.8070 S22:   0.1396 S23:  -0.6741                       
REMARK   3      S31:  -0.2660 S32:   0.7288 S33:  -0.0026                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 70 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.4991  31.6673 -31.4966              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1004 T22:   0.2634                                     
REMARK   3      T33:   0.2294 T12:  -0.0151                                     
REMARK   3      T13:   0.0103 T23:   0.0356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8307 L22:   2.2755                                     
REMARK   3      L33:   3.6177 L12:   1.0659                                     
REMARK   3      L13:  -1.2695 L23:   0.7844                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1206 S12:   0.2547 S13:  -0.4494                       
REMARK   3      S21:  -0.0789 S22:  -0.1401 S23:  -0.3293                       
REMARK   3      S31:   0.1620 S32:   0.4377 S33:   0.2670                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 101 THROUGH 115 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   0.3976  34.7824 -18.3074              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2081 T22:   0.2761                                     
REMARK   3      T33:   0.3138 T12:   0.0267                                     
REMARK   3      T13:  -0.0130 T23:   0.0204                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5045 L22:   0.0423                                     
REMARK   3      L33:   0.0895 L12:   0.4166                                     
REMARK   3      L13:  -0.2435 L23:   0.0527                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0669 S12:  -0.1379 S13:   0.3451                       
REMARK   3      S21:   0.1876 S22:   0.1542 S23:  -0.0943                       
REMARK   3      S31:   0.2343 S32:  -0.0251 S33:  -0.1000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 116 THROUGH 131 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.8492  40.9339 -22.4256              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1733 T22:   0.2303                                     
REMARK   3      T33:   0.2148 T12:  -0.0216                                     
REMARK   3      T13:  -0.0077 T23:  -0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0140 L22:   2.5285                                     
REMARK   3      L33:   9.5801 L12:  -0.2602                                     
REMARK   3      L13:   1.1332 L23:  -4.7320                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2435 S12:   0.0835 S13:   0.0541                       
REMARK   3      S21:   0.4311 S22:  -0.0831 S23:  -0.2960                       
REMARK   3      S31:  -0.4120 S32:   0.1610 S33:   0.3591                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 132 THROUGH 162 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.8678  44.3232 -33.6788              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2329 T22:   0.2700                                     
REMARK   3      T33:   0.2861 T12:  -0.0542                                     
REMARK   3      T13:  -0.0123 T23:   0.1198                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5897 L22:   0.4173                                     
REMARK   3      L33:   0.9304 L12:  -0.9871                                     
REMARK   3      L13:   1.0946 L23:  -0.0454                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1040 S12:   0.2755 S13:   0.4616                       
REMARK   3      S21:   0.0386 S22:  -0.1167 S23:  -0.2577                       
REMARK   3      S31:  -0.2402 S32:   0.2902 S33:   0.1612                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 163 THROUGH 184 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -26.5120  48.7020 -26.4882              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1884 T22:   0.1982                                     
REMARK   3      T33:   0.1381 T12:  -0.0096                                     
REMARK   3      T13:  -0.0213 T23:   0.0404                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3488 L22:   1.9747                                     
REMARK   3      L33:   6.6600 L12:  -0.4483                                     
REMARK   3      L13:  -0.5421 L23:   2.5679                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0050 S12:  -0.2690 S13:   0.0506                       
REMARK   3      S21:  -0.0211 S22:  -0.0201 S23:  -0.1157                       
REMARK   3      S31:  -0.4126 S32:   0.1802 S33:   0.0090                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 185 THROUGH 198 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.9722  43.0007 -23.4673              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1632 T22:   0.2493                                     
REMARK   3      T33:   0.1984 T12:  -0.0194                                     
REMARK   3      T13:  -0.0345 T23:   0.0558                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4693 L22:   4.3403                                     
REMARK   3      L33:   8.5085 L12:  -2.3050                                     
REMARK   3      L13:  -4.7438 L23:   1.4689                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1700 S12:  -0.7844 S13:  -0.7511                       
REMARK   3      S21:   0.3336 S22:  -0.0118 S23:   0.0719                       
REMARK   3      S31:   0.3010 S32:   0.1143 S33:   0.1249                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A): -30.4711  50.1220 -55.8490              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2481 T22:   0.2613                                     
REMARK   3      T33:   0.1123 T12:  -0.0528                                     
REMARK   3      T13:  -0.0183 T23:   0.0038                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0338 L22:   7.6102                                     
REMARK   3      L33:   3.7659 L12:  -4.1116                                     
REMARK   3      L13:   3.5466 L23:  -3.2277                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1005 S12:   0.4442 S13:  -0.3291                       
REMARK   3      S21:  -0.1745 S22:  -0.2451 S23:   0.1337                       
REMARK   3      S31:  -0.1975 S32:   0.4554 S33:   0.0757                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 10 THROUGH 23 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -32.6836  49.6328 -57.5305              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1962 T22:   0.1600                                     
REMARK   3      T33:   0.1062 T12:  -0.0601                                     
REMARK   3      T13:  -0.0488 T23:  -0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0244 L22:   3.0407                                     
REMARK   3      L33:   6.5766 L12:  -1.3456                                     
REMARK   3      L13:  -1.9837 L23:  -0.3001                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1287 S12:   0.1034 S13:   0.0135                       
REMARK   3      S21:   0.0146 S22:  -0.0434 S23:   0.0705                       
REMARK   3      S31:  -0.2603 S32:   0.3512 S33:   0.1928                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 24 THROUGH 35 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -36.7924  47.9838 -65.4533              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2693 T22:   0.1977                                     
REMARK   3      T33:   0.1394 T12:  -0.0401                                     
REMARK   3      T13:  -0.0532 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2592 L22:   2.1678                                     
REMARK   3      L33:   7.3422 L12:   0.2416                                     
REMARK   3      L13:  -4.1588 L23:  -2.6524                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0304 S12:   0.4292 S13:  -0.1767                       
REMARK   3      S21:  -0.5742 S22:   0.1147 S23:   0.2526                       
REMARK   3      S31:   0.1172 S32:  -0.1851 S33:  -0.0772                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 36 THROUGH 45 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -40.7687  54.6801 -66.2184              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2815 T22:   0.2114                                     
REMARK   3      T33:   0.1364 T12:   0.0179                                     
REMARK   3      T13:  -0.0145 T23:   0.0459                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.8013 L22:   8.3181                                     
REMARK   3      L33:   6.1685 L12:   1.7411                                     
REMARK   3      L13:   0.9532 L23:   0.1725                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0090 S12:   0.6476 S13:   0.3897                       
REMARK   3      S21:  -0.4653 S22:   0.0603 S23:   0.2654                       
REMARK   3      S31:  -0.3032 S32:  -0.4571 S33:  -0.0518                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 46 THROUGH 60 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -27.5877  58.3392 -64.9622              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4933 T22:   0.3541                                     
REMARK   3      T33:   0.2352 T12:  -0.1823                                     
REMARK   3      T13:  -0.0258 T23:   0.0485                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7125 L22:   5.5037                                     
REMARK   3      L33:   5.1925 L12:  -1.7163                                     
REMARK   3      L13:   0.2905 L23:   2.2801                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0055 S12:   0.2217 S13:   0.6844                       
REMARK   3      S21:  -0.1650 S22:   0.0264 S23:  -0.2539                       
REMARK   3      S31:  -1.3950 S32:   0.6922 S33:  -0.0393                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 61 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -27.3543  53.0807 -55.0638              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2829 T22:   0.2827                                     
REMARK   3      T33:   0.1416 T12:  -0.0811                                     
REMARK   3      T13:  -0.0161 T23:  -0.0005                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5024 L22:   4.1188                                     
REMARK   3      L33:   4.0555 L12:   1.0631                                     
REMARK   3      L13:  -1.0823 L23:  -1.3099                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1138 S12:   0.2416 S13:   0.1235                       
REMARK   3      S21:   0.2413 S22:  -0.1942 S23:  -0.3049                       
REMARK   3      S31:  -0.5186 S32:   0.9463 S33:   0.3596                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 80 THROUGH 84 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -47.7679  61.0311 -69.0353              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6859 T22:   0.7091                                     
REMARK   3      T33:   0.4631 T12:   0.1632                                     
REMARK   3      T13:  -0.0581 T23:   0.1333                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.5274 L22:   5.1057                                     
REMARK   3      L33:   4.0429 L12:  -3.2747                                     
REMARK   3      L13:   4.2718 L23:  -4.2450                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1173 S12:   1.4945 S13:   0.7408                       
REMARK   3      S21:  -1.2664 S22:   0.2647 S23:   0.9287                       
REMARK   3      S31:  -0.4658 S32:  -1.9174 S33:  -0.2972                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 85 THROUGH 95 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -40.6340  61.4143 -52.6687              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5949 T22:   0.1865                                     
REMARK   3      T33:   0.3080 T12:   0.0502                                     
REMARK   3      T13:  -0.0218 T23:   0.0343                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7516 L22:   1.8667                                     
REMARK   3      L33:   6.6152 L12:   0.1130                                     
REMARK   3      L13:  -0.0047 L23:  -3.3481                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0367 S12:   0.0281 S13:   0.2449                       
REMARK   3      S21:   0.1617 S22:   0.1906 S23:   0.3988                       
REMARK   3      S31:  -1.5701 S32:  -0.9951 S33:  -0.2131                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 96 THROUGH 103 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -30.0987  60.1502 -27.6413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6502 T22:   1.2036                                     
REMARK   3      T33:   0.4330 T12:  -0.3851                                     
REMARK   3      T13:  -0.3250 T23:  -0.4043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6702 L22:   0.4869                                     
REMARK   3      L33:   0.8903 L12:  -0.1851                                     
REMARK   3      L13:  -0.4348 L23:  -0.6219                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6801 S12:  -1.5882 S13:   0.8620                       
REMARK   3      S21:   0.8684 S22:   0.7806 S23:  -0.8747                       
REMARK   3      S31:   0.2591 S32:   0.7735 S33:  -1.0648                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 16 THROUGH 46 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -40.2726  41.8278 -46.8065              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1138 T22:   0.1232                                     
REMARK   3      T33:   0.1490 T12:  -0.0131                                     
REMARK   3      T13:  -0.0158 T23:  -0.0359                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4184 L22:   4.7544                                     
REMARK   3      L33:   5.6265 L12:  -0.1549                                     
REMARK   3      L13:  -0.3235 L23:  -2.0335                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0286 S12:   0.0573 S13:  -0.0904                       
REMARK   3      S21:  -0.3168 S22:   0.0112 S23:   0.0538                       
REMARK   3      S31:   0.2404 S32:  -0.1746 S33:   0.0372                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 47 THROUGH 58 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -52.0591  31.6199 -47.7787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4403 T22:   0.3446                                     
REMARK   3      T33:   0.4714 T12:  -0.0439                                     
REMARK   3      T13:   0.0824 T23:  -0.1441                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9994 L22:   3.2860                                     
REMARK   3      L33:   0.7352 L12:   3.9506                                     
REMARK   3      L13:   1.1115 L23:   1.1023                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0855 S12:   0.0131 S13:   0.2655                       
REMARK   3      S21:   0.2682 S22:  -0.2333 S23:   1.3075                       
REMARK   3      S31:   0.2857 S32:  -0.3268 S33:   0.3433                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 59 THROUGH 96 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -30.4003  44.9180 -43.0994              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1481 T22:   0.1300                                     
REMARK   3      T33:   0.0851 T12:  -0.0139                                     
REMARK   3      T13:  -0.0140 T23:   0.0233                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3132 L22:   2.5613                                     
REMARK   3      L33:   4.1266 L12:  -0.7053                                     
REMARK   3      L13:  -0.5528 L23:   0.3655                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0595 S12:   0.1657 S13:  -0.1873                       
REMARK   3      S21:   0.0412 S22:  -0.1275 S23:  -0.0049                       
REMARK   3      S31:   0.0087 S32:   0.1174 S33:   0.0565                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 97 THROUGH 112 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -33.5528  47.3452 -33.2031              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1671 T22:   0.1859                                     
REMARK   3      T33:   0.1787 T12:   0.0226                                     
REMARK   3      T13:   0.0075 T23:   0.0024                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0497 L22:   3.8682                                     
REMARK   3      L33:   6.3135 L12:   3.8462                                     
REMARK   3      L13:   1.4005 L23:   1.9732                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1116 S12:  -0.2004 S13:  -0.0647                       
REMARK   3      S21:  -0.0901 S22:   0.0922 S23:  -0.0985                       
REMARK   3      S31:  -0.3525 S32:  -0.2709 S33:   0.0815                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 30 THROUGH 46 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -20.9301  21.9262 -81.4713              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1351 T22:   0.2431                                     
REMARK   3      T33:   0.2876 T12:  -0.0134                                     
REMARK   3      T13:  -0.0424 T23:   0.0323                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6718 L22:   6.0163                                     
REMARK   3      L33:   3.5600 L12:   4.8871                                     
REMARK   3      L13:  -3.9600 L23:  -4.6199                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0229 S12:   0.0619 S13:   0.0217                       
REMARK   3      S21:  -0.1726 S22:   0.1459 S23:   0.3070                       
REMARK   3      S31:   0.0918 S32:  -0.4126 S33:  -0.1258                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 47 THROUGH 81 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9033  14.5362 -64.6757              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2546 T22:   0.5112                                     
REMARK   3      T33:   0.4240 T12:  -0.0717                                     
REMARK   3      T13:  -0.0896 T23:   0.2045                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5468 L22:   1.9903                                     
REMARK   3      L33:   1.5211 L12:  -1.1762                                     
REMARK   3      L13:  -0.1091 L23:   0.8420                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1851 S12:  -0.8265 S13:  -0.3191                       
REMARK   3      S21:   0.3876 S22:  -0.3214 S23:  -0.5833                       
REMARK   3      S31:   0.1079 S32:   0.7456 S33:   0.1534                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 82 THROUGH 131 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -13.2424   9.7906 -76.1165              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2161 T22:   0.3158                                     
REMARK   3      T33:   0.4954 T12:   0.0570                                     
REMARK   3      T13:   0.0653 T23:   0.1457                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6421 L22:   4.7937                                     
REMARK   3      L33:   2.6876 L12:  -1.2104                                     
REMARK   3      L13:   2.0095 L23:  -0.2811                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1759 S12:  -0.1500 S13:  -0.6938                       
REMARK   3      S21:  -0.3299 S22:  -0.1853 S23:  -0.8973                       
REMARK   3      S31:   0.3289 S32:   0.4353 S33:   0.1643                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 132 THROUGH 154 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.6589  -0.3640 -70.4772              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5735 T22:   0.4341                                     
REMARK   3      T33:   0.8604 T12:   0.0695                                     
REMARK   3      T13:   0.1120 T23:   0.2786                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9625 L22:   1.2838                                     
REMARK   3      L33:   5.1118 L12:   0.6766                                     
REMARK   3      L13:   1.8709 L23:   2.4213                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3010 S12:   0.1053 S13:  -0.9191                       
REMARK   3      S21:  -0.1840 S22:  -0.4976 S23:  -0.5223                       
REMARK   3      S31:   1.1019 S32:   0.7308 S33:   0.5771                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 155 THROUGH 198 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -35.3441  12.9615 -75.1813              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1997 T22:   0.1418                                     
REMARK   3      T33:   0.1558 T12:  -0.0631                                     
REMARK   3      T13:   0.0243 T23:   0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2831 L22:   1.3539                                     
REMARK   3      L33:   6.7944 L12:  -0.4626                                     
REMARK   3      L13:   0.8060 L23:   0.2960                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0429 S12:   0.1498 S13:  -0.0576                       
REMARK   3      S21:  -0.0829 S22:  -0.1502 S23:  -0.0533                       
REMARK   3      S31:  -0.2147 S32:   0.1099 S33:   0.1159                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A): -42.2597  10.9436 -46.4135              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2394 T22:   0.1606                                     
REMARK   3      T33:   0.0945 T12:  -0.0774                                     
REMARK   3      T13:   0.0058 T23:   0.0351                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7977 L22:   4.6455                                     
REMARK   3      L33:   3.6777 L12:   1.4488                                     
REMARK   3      L13:  -1.6060 L23:  -0.3122                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0493 S12:   0.1953 S13:  -0.1390                       
REMARK   3      S21:   0.1698 S22:  -0.1030 S23:  -0.2641                       
REMARK   3      S31:  -0.1201 S32:   0.5408 S33:   0.0992                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 10 THROUGH 23 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -43.6604  12.6330 -44.7558              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2424 T22:   0.1961                                     
REMARK   3      T33:   0.1353 T12:  -0.0925                                     
REMARK   3      T13:   0.0164 T23:  -0.0392                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4842 L22:   1.5677                                     
REMARK   3      L33:   3.5514 L12:   0.1267                                     
REMARK   3      L13:   0.4223 L23:  -0.7205                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0744 S12:  -0.0460 S13:   0.1977                       
REMARK   3      S21:   0.1343 S22:  -0.1599 S23:   0.0040                       
REMARK   3      S31:  -0.3319 S32:   0.5059 S33:   0.1011                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 24 THROUGH 35 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -46.9018  15.6758 -36.9012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4069 T22:   0.1943                                     
REMARK   3      T33:   0.1628 T12:  -0.1268                                     
REMARK   3      T13:  -0.0043 T23:  -0.0747                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3892 L22:   2.1555                                     
REMARK   3      L33:   3.3718 L12:   0.1320                                     
REMARK   3      L13:   2.0821 L23:  -2.0332                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0743 S12:  -0.4347 S13:   0.4650                       
REMARK   3      S21:   0.7836 S22:   0.0909 S23:   0.0115                       
REMARK   3      S31:  -1.1504 S32:   0.2085 S33:   0.0812                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 36 THROUGH 45 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -53.3444  11.2764 -36.1130              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3109 T22:   0.1480                                     
REMARK   3      T33:   0.1807 T12:  -0.0688                                     
REMARK   3      T13:   0.0610 T23:  -0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2824 L22:   4.5837                                     
REMARK   3      L33:   4.7095 L12:  -3.6367                                     
REMARK   3      L13:   0.0062 L23:   2.3663                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0534 S12:  -0.3623 S13:   0.0212                       
REMARK   3      S21:   0.5570 S22:   0.0766 S23:   0.2562                       
REMARK   3      S31:  -0.2911 S32:  -0.0165 S33:   0.0472                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 46 THROUGH 55 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -45.3446   1.5929 -37.5828              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2815 T22:   0.2437                                     
REMARK   3      T33:   0.1859 T12:  -0.0709                                     
REMARK   3      T13:  -0.0012 T23:  -0.0141                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4317 L22:   7.0663                                     
REMARK   3      L33:   2.8762 L12:   3.9960                                     
REMARK   3      L13:   2.3553 L23:   4.3992                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0218 S12:  -0.0088 S13:  -0.1226                       
REMARK   3      S21:   0.3240 S22:  -0.0382 S23:  -0.1734                       
REMARK   3      S31:   0.0927 S32:   0.2749 S33:  -0.0536                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 56 THROUGH 65 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -36.0109   4.4575 -40.9055              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2754 T22:   0.3037                                     
REMARK   3      T33:   0.2344 T12:  -0.0254                                     
REMARK   3      T13:   0.0116 T23:  -0.0071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9793 L22:   2.4662                                     
REMARK   3      L33:   2.6695 L12:  -1.3528                                     
REMARK   3      L13:   2.7478 L23:   1.3342                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1737 S12:   0.3371 S13:  -0.0053                       
REMARK   3      S21:  -0.1070 S22:  -0.2398 S23:  -0.2731                       
REMARK   3      S31:   0.3377 S32:   0.6230 S33:   0.3131                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 66 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -42.8163   7.9993 -48.1519              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2777 T22:   0.1565                                     
REMARK   3      T33:   0.1363 T12:  -0.0521                                     
REMARK   3      T13:  -0.0274 T23:   0.0266                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4716 L22:   1.4454                                     
REMARK   3      L33:   3.1044 L12:   1.3633                                     
REMARK   3      L13:  -1.0090 L23:  -0.0446                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1710 S12:  -0.1095 S13:   0.0705                       
REMARK   3      S21:  -0.0209 S22:   0.0821 S23:   0.0005                       
REMARK   3      S31:   0.1176 S32:   0.2915 S33:   0.1172                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 80 THROUGH 84 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -62.7038   8.3271 -32.7592              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5688 T22:   0.5428                                     
REMARK   3      T33:   0.3940 T12:  -0.0705                                     
REMARK   3      T13:   0.0951 T23:  -0.1164                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1571 L22:   5.5659                                     
REMARK   3      L33:   3.8099 L12:  -2.6628                                     
REMARK   3      L13:  -0.1406 L23:   2.1090                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0532 S12:  -1.6532 S13:   1.3420                       
REMARK   3      S21:   1.5498 S22:  -0.5496 S23:   1.2348                       
REMARK   3      S31:  -0.6208 S32:  -1.5197 S33:  -0.2952                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 85 THROUGH 95 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -56.1119   5.0088 -49.6587              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3364 T22:   0.1682                                     
REMARK   3      T33:   0.2242 T12:  -0.0900                                     
REMARK   3      T13:  -0.0161 T23:  -0.0152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1845 L22:   0.2744                                     
REMARK   3      L33:   8.6282 L12:   0.9544                                     
REMARK   3      L13:  -5.3582 L23:  -1.5526                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2227 S12:   0.2794 S13:  -0.2379                       
REMARK   3      S21:  -0.2844 S22:   0.1832 S23:   0.2339                       
REMARK   3      S31:   0.7109 S32:  -0.6837 S33:   0.1120                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 96 THROUGH 101 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -48.5299   1.5778 -73.3486              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2606 T22:   0.7185                                     
REMARK   3      T33:   0.4201 T12:  -0.1849                                     
REMARK   3      T13:   0.3168 T23:  -0.3434                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9133 L22:   0.9525                                     
REMARK   3      L33:   5.0930 L12:  -0.9208                                     
REMARK   3      L13:  -1.0867 L23:   1.4006                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0112 S12:   0.9663 S13:  -0.6339                       
REMARK   3      S21:  -0.7471 S22:  -0.3303 S23:  -0.0490                       
REMARK   3      S31:   0.4686 S32:  -0.0839 S33:  -0.2560                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 16 THROUGH 47 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -47.7157  23.2106 -55.6912              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3632 T22:   0.1358                                     
REMARK   3      T33:   0.2012 T12:  -0.0514                                     
REMARK   3      T13:   0.0306 T23:  -0.0069                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3999 L22:   2.9164                                     
REMARK   3      L33:   2.1543 L12:   1.0770                                     
REMARK   3      L13:  -0.5113 L23:   0.7938                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1844 S12:  -0.0083 S13:   0.2765                       
REMARK   3      S21:  -0.0854 S22:  -0.1114 S23:   0.0028                       
REMARK   3      S31:  -0.4728 S32:  -0.0447 S33:  -0.0316                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 48 THROUGH 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -50.3910  29.7435 -59.3375              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3253 T22:   0.2649                                     
REMARK   3      T33:   0.3233 T12:   0.0089                                     
REMARK   3      T13:  -0.0189 T23:  -0.0111                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4052 L22:   5.6344                                     
REMARK   3      L33:   1.2086 L12:   2.7773                                     
REMARK   3      L13:   1.2749 L23:   2.1697                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1764 S12:  -0.0484 S13:   0.5843                       
REMARK   3      S21:  -0.1879 S22:   0.0347 S23:   0.6033                       
REMARK   3      S31:  -0.1034 S32:   0.0852 S33:   0.1506                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 67 THROUGH 112 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -38.5452  14.5160 -62.1263              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2618 T22:   0.1483                                     
REMARK   3      T33:   0.1471 T12:  -0.0934                                     
REMARK   3      T13:   0.0004 T23:   0.0310                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3300 L22:   2.1260                                     
REMARK   3      L33:   3.9648 L12:  -0.8252                                     
REMARK   3      L13:  -0.0688 L23:  -0.6841                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0862 S12:  -0.1265 S13:   0.0797                       
REMARK   3      S21:   0.0736 S22:  -0.1819 S23:  -0.2244                       
REMARK   3      S31:  -0.1369 S32:   0.2726 S33:   0.0916                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID -4 THROUGH 5 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):   5.1534  35.3674 -31.9827              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1447 T22:   0.4060                                     
REMARK   3      T33:   0.3885 T12:  -0.0359                                     
REMARK   3      T13:   0.0022 T23:   0.0232                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3166 L22:   4.5956                                     
REMARK   3      L33:   1.9953 L12:   0.6764                                     
REMARK   3      L13:  -0.0049 L23:   0.4107                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0100 S12:   0.8665 S13:   0.1212                       
REMARK   3      S21:  -0.2572 S22:   0.2025 S23:  -0.8148                       
REMARK   3      S31:  -0.1525 S32:   0.6196 S33:  -0.1801                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID -4 THROUGH 5 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.7917   5.3651 -69.4654              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3824 T22:   0.6159                                     
REMARK   3      T33:   0.8150 T12:   0.0637                                     
REMARK   3      T13:  -0.1138 T23:   0.2281                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1378 L22:   2.8227                                     
REMARK   3      L33:   2.0836 L12:  -1.1918                                     
REMARK   3      L13:   0.5909 L23:  -1.5636                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4503 S12:  -0.4667 S13:  -0.6994                       
REMARK   3      S21:   0.4959 S22:  -0.0816 S23:  -1.0304                       
REMARK   3      S31:   0.6813 S32:   0.3844 S33:  -0.3430                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID -3 THROUGH 5 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):   1.6523  47.9220 -24.9680              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2942 T22:   0.3240                                     
REMARK   3      T33:   0.6627 T12:  -0.0956                                     
REMARK   3      T13:  -0.1013 T23:   0.0747                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7433 L22:   1.8365                                     
REMARK   3      L33:   2.5732 L12:  -0.4152                                     
REMARK   3      L13:  -1.2753 L23:   0.0118                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0675 S12:   0.0610 S13:   1.4665                       
REMARK   3      S21:   0.1802 S22:   0.1520 S23:  -0.5896                       
REMARK   3      S31:  -0.5036 S32:   0.1557 S33:   0.0235                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID -2 THROUGH 5 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -13.5171  -3.4018 -75.7823              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6653 T22:   0.5156                                     
REMARK   3      T33:   1.3765 T12:   0.1257                                     
REMARK   3      T13:  -0.0652 T23:   0.2171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3601 L22:   1.5435                                     
REMARK   3      L33:   0.8521 L12:   0.7016                                     
REMARK   3      L13:   0.3709 L23:   0.6527                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3940 S12:   0.0873 S13:  -0.5792                       
REMARK   3      S21:  -0.7285 S22:   0.2727 S23:  -0.3372                       
REMARK   3      S31:   0.2412 S32:  -0.0130 S33:  -0.0566                       
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 6I5N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 14-NOV-18.                  
REMARK 100 THE DEPOSITION ID IS D_1200012811.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 24-SEP-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I04                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 73251                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.980                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 113.550                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 13.30                              
REMARK 200  R MERGE                    (I) : 0.09400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 17.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.01                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.80                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.85                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CACODYLATE, COBALT CHLORIDE,      
REMARK 280  MES, AMMONIUM SULPHATE, VAPOR DIFFUSION, HANGING DROP,              
REMARK 280  TEMPERATURE 277.15K                                                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
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       56.58850            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       78.38150            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       56.58850            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       78.38150            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, K, I                         
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F, J, L                         
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      HOH E 248  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH E 266  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH E 306  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     ARG A   137                                                      
REMARK 465     THR A   138                                                      
REMARK 465     GLY A   139                                                      
REMARK 465     PRO A   140                                                      
REMARK 465     GLU A   141                                                      
REMARK 465     ALA A   142                                                      
REMARK 465     PRO A   143                                                      
REMARK 465     ARG A   144                                                      
REMARK 465     ASN A   145                                                      
REMARK 465     LYS B   104                                                      
REMARK 465     ILE D   110                                                      
REMARK 465     CAS D   111                                                      
REMARK 465     VAL D   112                                                      
REMARK 465     LYS D   113                                                      
REMARK 465     SER D   114                                                      
REMARK 465     ALA D   115                                                      
REMARK 465     ASP D   135                                                      
REMARK 465     LYS D   136                                                      
REMARK 465     ARG D   137                                                      
REMARK 465     THR D   138                                                      
REMARK 465     GLY D   139                                                      
REMARK 465     PRO D   140                                                      
REMARK 465     GLU D   141                                                      
REMARK 465     ALA D   142                                                      
REMARK 465     PRO D   143                                                      
REMARK 465     ARG D   144                                                      
REMARK 465     ASN D   145                                                      
REMARK 465     GLY D   146                                                      
REMARK 465     VAL E   102                                                      
REMARK 465     MET E   103                                                      
REMARK 465     LYS E   104                                                      
REMARK 465     VLM J     6                                                      
REMARK 465     PRO K    -4                                                      
REMARK 465     PRO L    -4                                                      
REMARK 465     VAL L    -3                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A  60    CD   OE1  OE2                                       
REMARK 470     ILE A  84    CD1                                                 
REMARK 470     GLN A 100    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 134    CE   NZ                                             
REMARK 470     ASP A 135    CG   OD1  OD2                                       
REMARK 470     LYS A 136    CG   CD   CE   NZ                                   
REMARK 470     LYS A 195    CE   NZ                                             
REMARK 470     LYS B  19    CE   NZ                                             
REMARK 470     LYS B  55    CE   NZ                                             
REMARK 470     GLN B  65    OE1  NE2                                            
REMARK 470     ASP B  82    OD1  OD2                                            
REMARK 470     ASP B  83    CG   OD1  OD2                                       
REMARK 470     GLU B  98    CG   CD   OE1  OE2                                  
REMARK 470     ASP B 101    CG   OD1  OD2                                       
REMARK 470     MET B 103    CG   SD   CE                                        
REMARK 470     MET C  16    CG   SD   CE                                        
REMARK 470     ASN C  85    CG   OD1  ND2                                       
REMARK 470     LYS D  59    CE   NZ                                             
REMARK 470     LEU D 116    CG   CD1  CD2                                       
REMARK 470     LYS D 134    CG   CD   CE   NZ                                   
REMARK 470     VAL D 148    CG1  CG2                                            
REMARK 470     GLN E  65    CD   OE1  NE2                                       
REMARK 470     ASP E 101    CG   OD1  OD2                                       
REMARK 470     GLU F  54    CD   OE1  OE2                                       
REMARK 470     ARG F  63    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN F  85    CG   OD1  ND2                                       
REMARK 470     VAL K  -3    CG1  CG2                                            
REMARK 470     ASP L  -1    CG   OD1  OD2                                       
REMARK 470     SER L   2    OG                                                  
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    THR A 153      -65.19   -129.15                                   
REMARK 500    HIS B  10     -121.10     51.05                                   
REMARK 500    ASP B  47     -119.70     47.62                                   
REMARK 500    ALA B  71       75.17   -152.96                                   
REMARK 500    ASP B  82      -97.09     59.92                                   
REMARK 500    SER C  47       48.90   -104.78                                   
REMARK 500    ASN C  58       41.48    -91.22                                   
REMARK 500    THR D 153      -65.66   -126.15                                   
REMARK 500    HIS E  10     -116.87     53.07                                   
REMARK 500    ASP E  47     -125.02     55.59                                   
REMARK 500    ALA E  71       69.52   -155.51                                   
REMARK 500    ASP E  82     -100.72   -136.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    ILE K   5         15.66                                           
REMARK 500    ILE L   5         11.10                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH E 309        DISTANCE =  6.26 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 201  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 149   NE2                                                    
REMARK 620 2 HIS K   4   NE2 100.0                                              
REMARK 620 3 HOH A 338   O    91.2  84.9                                        
REMARK 620 4 HOH A 383   O    86.4 168.5  85.4                                  
REMARK 620 5 HOH K 108   O   173.3  80.8  82.3  91.7                            
REMARK 620 6 HOH A 365   O    93.3  94.3 175.5  94.9  93.2                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO A 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO D 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 D 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide PTR I 0 and THR I 1    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ILE I 5 and VLM I 6    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ASP I -1 and PTR I 0   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide PTR J 0 and THR J 1    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ASP J -1 and PTR J 0   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide PTR K 0 and THR K 1    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ILE K 5 and VLM K 6    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ASP K -1 and PTR K 0   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide PTR L 0 and THR L 1    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ILE L 5 and VLM L 6    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide ASP L -1 and PTR L 0   
DBREF  6I5N A   30   198  UNP    O14508   SOCS2_HUMAN     30    198             
DBREF  6I5N B    1   104  UNP    Q15370   ELOB_HUMAN       1    104             
DBREF  6I5N C   17   112  UNP    Q15369   ELOC_HUMAN      17    112             
DBREF  6I5N D   30   198  UNP    O14508   SOCS2_HUMAN     30    198             
DBREF  6I5N E    1   104  UNP    Q15370   ELOB_HUMAN       1    104             
DBREF  6I5N F   17   112  UNP    Q15369   ELOC_HUMAN      17    112             
DBREF  6I5N J   -4     6  PDB    6I5N     6I5N            -4      6             
DBREF  6I5N K   -4     6  PDB    6I5N     6I5N            -4      6             
DBREF  6I5N I   -4     6  PDB    6I5N     6I5N            -4      6             
DBREF  6I5N L   -4     6  PDB    6I5N     6I5N            -4      6             
SEQADV 6I5N MET A   31  UNP  O14508    PRO    31 CONFLICT                       
SEQADV 6I5N ALA A  115  UNP  O14508    LYS   115 CONFLICT                       
SEQADV 6I5N ALA A  117  UNP  O14508    LYS   117 CONFLICT                       
SEQADV 6I5N ALA A  118  UNP  O14508    GLN   118 CONFLICT                       
SEQADV 6I5N MET C   16  UNP  Q15369              INITIATING METHIONINE          
SEQADV 6I5N MET D   31  UNP  O14508    PRO    31 CONFLICT                       
SEQADV 6I5N ALA D  115  UNP  O14508    LYS   115 CONFLICT                       
SEQADV 6I5N ALA D  117  UNP  O14508    LYS   117 CONFLICT                       
SEQADV 6I5N ALA D  118  UNP  O14508    GLN   118 CONFLICT                       
SEQADV 6I5N MET F   16  UNP  Q15369              INITIATING METHIONINE          
SEQRES   1 A  169  SER MET GLN ALA ALA ARG LEU ALA LYS ALA LEU ARG GLU          
SEQRES   2 A  169  LEU GLY GLN THR GLY TRP TYR TRP GLY SER MET THR VAL          
SEQRES   3 A  169  ASN GLU ALA LYS GLU LYS LEU LYS GLU ALA PRO GLU GLY          
SEQRES   4 A  169  THR PHE LEU ILE ARG ASP SER SER HIS SER ASP TYR LEU          
SEQRES   5 A  169  LEU THR ILE SER VAL LYS THR SER ALA GLY PRO THR ASN          
SEQRES   6 A  169  LEU ARG ILE GLU TYR GLN ASP GLY LYS PHE ARG LEU ASP          
SEQRES   7 A  169  SER ILE ILE CAS VAL LYS SER ALA LEU ALA ALA PHE ASP          
SEQRES   8 A  169  SER VAL VAL HIS LEU ILE ASP TYR TYR VAL GLN MET CAS          
SEQRES   9 A  169  LYS ASP LYS ARG THR GLY PRO GLU ALA PRO ARG ASN GLY          
SEQRES  10 A  169  THR VAL HIS LEU TYR LEU THR LYS PRO LEU TYR THR SER          
SEQRES  11 A  169  ALA PRO SER LEU GLN HIS LEU CYS ARG LEU THR ILE ASN          
SEQRES  12 A  169  LYS CAS THR GLY ALA ILE TRP GLY LEU PRO LEU PRO THR          
SEQRES  13 A  169  ARG LEU LYS ASP TYR LEU GLU GLU TYR LYS PHE GLN VAL          
SEQRES   1 B  104  MET ASP VAL PHE LEU MET ILE ARG ARG HIS LYS THR THR          
SEQRES   2 B  104  ILE PHE THR ASP ALA LYS GLU SER SER THR VAL PHE GLU          
SEQRES   3 B  104  LEU LYS ARG ILE VAL GLU GLY ILE LEU LYS ARG PRO PRO          
SEQRES   4 B  104  ASP GLU GLN ARG LEU TYR LYS ASP ASP GLN LEU LEU ASP          
SEQRES   5 B  104  ASP GLY LYS THR LEU GLY GLU CYS GLY PHE THR SER GLN          
SEQRES   6 B  104  THR ALA ARG PRO GLN ALA PRO ALA THR VAL GLY LEU ALA          
SEQRES   7 B  104  PHE ARG ALA ASP ASP THR PHE GLU ALA LEU CAS ILE GLU          
SEQRES   8 B  104  PRO PHE SER SER PRO PRO GLU LEU PRO ASP VAL MET LYS          
SEQRES   1 C   97  MET MET TYR VAL LYS LEU ILE SER SER ASP GLY HIS GLU          
SEQRES   2 C   97  PHE ILE VAL LYS ARG GLU HIS ALA LEU THR SER GLY THR          
SEQRES   3 C   97  ILE LYS ALA MET LEU SER GLY PRO GLY GLN PHE ALA GLU          
SEQRES   4 C   97  ASN GLU THR ASN GLU VAL ASN PHE ARG GLU ILE PRO SER          
SEQRES   5 C   97  HIS VAL LEU SER LYS VAL CYS MET TYR PHE THR TYR LYS          
SEQRES   6 C   97  VAL ARG TYR THR ASN SER SER THR GLU ILE PRO GLU PHE          
SEQRES   7 C   97  PRO ILE ALA PRO GLU ILE ALA LEU GLU LEU LEU MET ALA          
SEQRES   8 C   97  ALA ASN PHE LEU ASP CYS                                      
SEQRES   1 D  169  SER MET GLN ALA ALA ARG LEU ALA LYS ALA LEU ARG GLU          
SEQRES   2 D  169  LEU GLY GLN THR GLY TRP TYR TRP GLY SER MET THR VAL          
SEQRES   3 D  169  ASN GLU ALA LYS GLU LYS LEU LYS GLU ALA PRO GLU GLY          
SEQRES   4 D  169  THR PHE LEU ILE ARG ASP SER SER HIS SER ASP TYR LEU          
SEQRES   5 D  169  LEU THR ILE SER VAL LYS THR SER ALA GLY PRO THR ASN          
SEQRES   6 D  169  LEU ARG ILE GLU TYR GLN ASP GLY LYS PHE ARG LEU ASP          
SEQRES   7 D  169  SER ILE ILE CAS VAL LYS SER ALA LEU ALA ALA PHE ASP          
SEQRES   8 D  169  SER VAL VAL HIS LEU ILE ASP TYR TYR VAL GLN MET CAS          
SEQRES   9 D  169  LYS ASP LYS ARG THR GLY PRO GLU ALA PRO ARG ASN GLY          
SEQRES  10 D  169  THR VAL HIS LEU TYR LEU THR LYS PRO LEU TYR THR SER          
SEQRES  11 D  169  ALA PRO SER LEU GLN HIS LEU CYS ARG LEU THR ILE ASN          
SEQRES  12 D  169  LYS CAS THR GLY ALA ILE TRP GLY LEU PRO LEU PRO THR          
SEQRES  13 D  169  ARG LEU LYS ASP TYR LEU GLU GLU TYR LYS PHE GLN VAL          
SEQRES   1 E  104  MET ASP VAL PHE LEU MET ILE ARG ARG HIS LYS THR THR          
SEQRES   2 E  104  ILE PHE THR ASP ALA LYS GLU SER SER THR VAL PHE GLU          
SEQRES   3 E  104  LEU LYS ARG ILE VAL GLU GLY ILE LEU LYS ARG PRO PRO          
SEQRES   4 E  104  ASP GLU GLN ARG LEU TYR LYS ASP ASP GLN LEU LEU ASP          
SEQRES   5 E  104  ASP GLY LYS THR LEU GLY GLU CYS GLY PHE THR SER GLN          
SEQRES   6 E  104  THR ALA ARG PRO GLN ALA PRO ALA THR VAL GLY LEU ALA          
SEQRES   7 E  104  PHE ARG ALA ASP ASP THR PHE GLU ALA LEU CAS ILE GLU          
SEQRES   8 E  104  PRO PHE SER SER PRO PRO GLU LEU PRO ASP VAL MET LYS          
SEQRES   1 F   97  MET MET TYR VAL LYS LEU ILE SER SER ASP GLY HIS GLU          
SEQRES   2 F   97  PHE ILE VAL LYS ARG GLU HIS ALA LEU THR SER GLY THR          
SEQRES   3 F   97  ILE LYS ALA MET LEU SER GLY PRO GLY GLN PHE ALA GLU          
SEQRES   4 F   97  ASN GLU THR ASN GLU VAL ASN PHE ARG GLU ILE PRO SER          
SEQRES   5 F   97  HIS VAL LEU SER LYS VAL CYS MET TYR PHE THR TYR LYS          
SEQRES   6 F   97  VAL ARG TYR THR ASN SER SER THR GLU ILE PRO GLU PHE          
SEQRES   7 F   97  PRO ILE ALA PRO GLU ILE ALA LEU GLU LEU LEU MET ALA          
SEQRES   8 F   97  ALA ASN PHE LEU ASP CYS                                      
SEQRES   1 J   11  PRO VAL PRO ASP PTR THR SER ILE HIS ILE VLM                  
SEQRES   1 K   11  PRO VAL PRO ASP PTR THR SER ILE HIS ILE VLM                  
SEQRES   1 I   11  PRO VAL PRO ASP PTR THR SER ILE HIS ILE VLM                  
SEQRES   1 L   11  PRO VAL PRO ASP PTR THR SER ILE HIS ILE VLM                  
MODRES 6I5N CAS A  111  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS A  133  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS A  174  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS B   89  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS D  133  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS D  174  CYS  MODIFIED RESIDUE                                   
MODRES 6I5N CAS E   89  CYS  MODIFIED RESIDUE                                   
HET    CAS  A 111       9                                                       
HET    CAS  A 133       9                                                       
HET    CAS  A 174       9                                                       
HET    CAS  B  89       9                                                       
HET    CAS  D 133       9                                                       
HET    CAS  D 174       9                                                       
HET    CAS  E  89       9                                                       
HET    PTR  J   0      16                                                       
HET    PTR  K   0      16                                                       
HET    VLM  K   6       8                                                       
HET    PTR  I   0      16                                                       
HET    VLM  I   6       8                                                       
HET    PTR  L   0      16                                                       
HET    VLM  L   6       8                                                       
HET     CO  A 201       1                                                       
HET     CO  D 201       1                                                       
HET    SO4  D 202       5                                                       
HETNAM     CAS S-(DIMETHYLARSENIC)CYSTEINE                                      
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETNAM     VLM VALINYLAMINE                                                     
HETNAM      CO COBALT (II) ION                                                  
HETNAM     SO4 SULFATE ION                                                      
HETSYN     PTR PHOSPHONOTYROSINE                                                
FORMUL   1  CAS    7(C5 H12 AS N O2 S)                                          
FORMUL   7  PTR    4(C9 H12 N O6 P)                                             
FORMUL   8  VLM    3(C5 H12 N2 O)                                               
FORMUL  11   CO    2(CO 2+)                                                     
FORMUL  13  SO4    O4 S 2-                                                      
FORMUL  14  HOH   *512(H2 O)                                                    
HELIX    1 AA1 MET A   31  THR A   46  1                                  16    
HELIX    2 AA2 THR A   54  LYS A   63  1                                  10    
HELIX    3 AA3 VAL A  112  LEU A  116  5                                   5    
HELIX    4 AA4 SER A  121  LYS A  134  1                                  14    
HELIX    5 AA5 SER A  162  THR A  175  1                                  14    
HELIX    6 AA6 PRO A  184  GLU A  193  1                                  10    
HELIX    7 AA7 THR B   23  LYS B   36  1                                  14    
HELIX    8 AA8 PRO B   38  ASP B   40  5                                   3    
HELIX    9 AA9 LEU B   57  GLY B   61  5                                   5    
HELIX   10 AB1 ARG C   33  LEU C   37  1                                   5    
HELIX   11 AB2 SER C   39  SER C   47  1                                   9    
HELIX   12 AB3 PRO C   66  TYR C   83  1                                  18    
HELIX   13 AB4 ALA C   96  ASP C  111  1                                  16    
HELIX   14 AB5 MET D   31  GLY D   47  1                                  17    
HELIX   15 AB6 THR D   54  LYS D   63  1                                  10    
HELIX   16 AB7 SER D  121  CAS D  133  1                                  13    
HELIX   17 AB8 SER D  162  THR D  175  1                                  14    
HELIX   18 AB9 PRO D  184  GLU D  193  1                                  10    
HELIX   19 AC1 THR E   23  LYS E   36  1                                  14    
HELIX   20 AC2 PRO E   38  ASP E   40  5                                   3    
HELIX   21 AC3 ARG F   33  LEU F   37  1                                   5    
HELIX   22 AC4 SER F   39  GLY F   48  1                                  10    
HELIX   23 AC5 PRO F   66  TYR F   83  1                                  18    
HELIX   24 AC6 ALA F   96  ASP F  111  1                                  16    
SHEET    1 AA1 4 PHE A  70  ASP A  74  0                                        
SHEET    2 AA1 4 LEU A  82  THR A  88 -1  O  THR A  83   N  ARG A  73           
SHEET    3 AA1 4 GLY A  91  GLN A 100 -1  O  LEU A  95   N  ILE A  84           
SHEET    4 AA1 4 LYS A 103  LEU A 106 -1  O  LYS A 103   N  GLN A 100           
SHEET    1 AA2 4 GLN B  49  LEU B  50  0                                        
SHEET    2 AA2 4 GLN B  42  LYS B  46 -1  N  LYS B  46   O  GLN B  49           
SHEET    3 AA2 4 ALA B  73  ALA B  81 -1  O  ALA B  78   N  ARG B  43           
SHEET    4 AA2 4 THR B  84  PHE B  85 -1  O  THR B  84   N  ALA B  81           
SHEET    1 AA3 8 GLN B  49  LEU B  50  0                                        
SHEET    2 AA3 8 GLN B  42  LYS B  46 -1  N  LYS B  46   O  GLN B  49           
SHEET    3 AA3 8 ALA B  73  ALA B  81 -1  O  ALA B  78   N  ARG B  43           
SHEET    4 AA3 8 ASP B   2  ARG B   9  1  N  MET B   6   O  VAL B  75           
SHEET    5 AA3 8 THR B  12  LYS B  19 -1  O  THR B  16   N  LEU B   5           
SHEET    6 AA3 8 GLU C  28  LYS C  32  1  O  ILE C  30   N  THR B  13           
SHEET    7 AA3 8 TYR C  18  ILE C  22 -1  N  LEU C  21   O  PHE C  29           
SHEET    8 AA3 8 GLU C  59  ASN C  61  1  O  VAL C  60   N  ILE C  22           
SHEET    1 AA4 2 GLU C  56  THR C  57  0                                        
SHEET    2 AA4 2 ASN F  55  GLU F  56 -1  O  GLU F  56   N  GLU C  56           
SHEET    1 AA5 4 PHE D  70  ASP D  74  0                                        
SHEET    2 AA5 4 LEU D  82  THR D  88 -1  O  THR D  83   N  ARG D  73           
SHEET    3 AA5 4 GLY D  91  GLN D 100 -1  O  LEU D  95   N  ILE D  84           
SHEET    4 AA5 4 LYS D 103  LEU D 106 -1  O  LYS D 103   N  GLN D 100           
SHEET    1 AA6 3 VAL D 148  HIS D 149  0                                        
SHEET    2 AA6 3 HIS L   4  VLM L   6 -1  O  ILE L   5   N  VAL D 148           
SHEET    3 AA6 3 SER J   2  HIS J   4 -1  N  HIS J   4   O  HIS L   4           
SHEET    1 AA7 8 GLN E  49  LEU E  50  0                                        
SHEET    2 AA7 8 GLN E  42  LYS E  46 -1  N  LYS E  46   O  GLN E  49           
SHEET    3 AA7 8 ALA E  73  PHE E  79 -1  O  ALA E  78   N  ARG E  43           
SHEET    4 AA7 8 ASP E   2  ARG E   9  1  N  ARG E   8   O  VAL E  75           
SHEET    5 AA7 8 THR E  12  LYS E  19 -1  O  THR E  16   N  LEU E   5           
SHEET    6 AA7 8 GLU F  28  LYS F  32  1  O  ILE F  30   N  THR E  13           
SHEET    7 AA7 8 TYR F  18  ILE F  22 -1  N  LEU F  21   O  PHE F  29           
SHEET    8 AA7 8 GLU F  59  ASN F  61  1  O  VAL F  60   N  ILE F  22           
SHEET    1 AA8 2 ILE K   3  VLM K   6  0                                        
SHEET    2 AA8 2 SER I   2  ILE I   5 -1  O  HIS I   4   N  HIS K   4           
LINK         C   ILE A 110                 N   CAS A 111     1555   1555  1.32  
LINK         C   CAS A 111                 N   VAL A 112     1555   1555  1.33  
LINK         C   MET A 132                 N   CAS A 133     1555   1555  1.33  
LINK         C   CAS A 133                 N   LYS A 134     1555   1555  1.33  
LINK         NE2 HIS A 149                CO    CO A 201     1555   1555  2.15  
LINK         C   LYS A 173                 N   CAS A 174     1555   1555  1.33  
LINK         C   CAS A 174                 N   THR A 175     1555   1555  1.33  
LINK         C   LEU B  88                 N   CAS B  89     1555   1555  1.33  
LINK         C   CAS B  89                 N   ILE B  90     1555   1555  1.33  
LINK         C   MET D 132                 N   CAS D 133     1555   1555  1.32  
LINK         C   CAS D 133                 N   LYS D 134     1555   1555  1.33  
LINK         NE2 HIS D 149                CO    CO D 201     1555   1555  2.40  
LINK         C   LYS D 173                 N   CAS D 174     1555   1555  1.33  
LINK         C   CAS D 174                 N   THR D 175     1555   1555  1.33  
LINK         C   LEU E  88                 N   CAS E  89     1555   1555  1.33  
LINK         C   CAS E  89                 N   ILE E  90     1555   1555  1.34  
LINK         C   ASP J  -1                 N   PTR J   0     1555   1555  1.33  
LINK         C   PTR J   0                 N   THR J   1     1555   1555  1.33  
LINK         C   ASP K  -1                 N   PTR K   0     1555   1555  1.33  
LINK         C   PTR K   0                 N   THR K   1     1555   1555  1.33  
LINK         NE2 HIS K   4                CO    CO A 201     1555   1555  2.26  
LINK         C   ILE K   5                 N   VLM K   6     1555   1555  1.39  
LINK         C   ASP I  -1                 N   PTR I   0     1555   1555  1.33  
LINK         C   PTR I   0                 N   THR I   1     1555   1555  1.33  
LINK         C   ILE I   5                 N   VLM I   6     1555   1555  1.40  
LINK         C   ASP L  -1                 N   PTR L   0     1555   1555  1.34  
LINK         C   PTR L   0                 N   THR L   1     1555   1555  1.33  
LINK         C   ILE L   5                 N   VLM L   6     1555   1555  1.40  
LINK        CO    CO A 201                 O   HOH A 338     1555   1555  1.97  
LINK        CO    CO A 201                 O   HOH A 383     1555   1555  2.43  
LINK        CO    CO A 201                 O   HOH K 108     1555   1555  2.31  
LINK        CO    CO A 201                 O   HOH A 365     1555   1555  1.78  
SITE     1 AC1  6 HIS A 149  HOH A 338  HOH A 365  HOH A 383                    
SITE     2 AC1  6 HIS K   4  HOH K 108                                          
SITE     1 AC2  3 HIS D 149  SER L   2  HIS L   4                               
SITE     1 AC3  5 GLN D  45  SER D 162  ARG D 168  TYR D 190                    
SITE     2 AC3  5 HOH D 339                                                     
SITE     1 AC4 18 VAL A  55  ARG A  73  SER A  75  SER A  76                    
SITE     2 AC4 18 THR A  83  THR A  93  ASN A  94  LEU A  95                    
SITE     3 AC4 18 ARG A  96  VAL I  -3  PRO I  -2  ASP I  -1                    
SITE     4 AC4 18 SER I   2  HOH I 101  HOH I 102  ILE K   5                    
SITE     5 AC4 18 VLM K   6  HOH K 106                                          
SITE     1 AC5  6 HOH A 361  MET C  45  HIS I   4  HOH I 104                    
SITE     2 AC5  6 SER K   2  ILE K   3                                          
SITE     1 AC6 14 VAL A  55  ARG A  73  SER A  75  SER A  76                    
SITE     2 AC6 14 THR A  83  THR A  93  ASN A  94  ARG A  96                    
SITE     3 AC6 14 HOH A 351  PRO I  -2  THR I   1  HOH I 102                    
SITE     4 AC6 14 HOH I 103  HOH K 106                                          
SITE     1 AC7 16 VAL D  55  ARG D  73  SER D  75  SER D  76                    
SITE     2 AC7 16 THR D  83  THR D  93  ASN D  94  LEU D  95                    
SITE     3 AC7 16 ARG D  96  VAL J  -3  PRO J  -2  ASP J  -1                    
SITE     4 AC7 16 SER J   2  HOH J 101  ILE L   5  VLM L   6                    
SITE     1 AC8 10 VAL D  55  ARG D  73  SER D  75  SER D  76                    
SITE     2 AC8 10 THR D  83  THR D  93  ASN D  94  ARG D  96                    
SITE     3 AC8 10 PRO J  -2  THR J   1                                          
SITE     1 AC9 12 MET A 132  CAS A 133  ASP A 135  LYS A 136                    
SITE     2 AC9 12 HIS A 149  HOH A 367  ASP K  -1  PRO K  -2                    
SITE     3 AC9 12 SER K   2  ILE K   3  HOH K 104  HOH K 107                    
SITE     1 AD1 11 THR A  88  ILE A 109  VAL A 148  THR I   1                    
SITE     2 AD1 11 SER I   2  ILE I   3  HIS K   4  HOH K 102                    
SITE     3 AD1 11 HOH K 103  HOH K 106  HOH K 109                               
SITE     1 AD2 11 MET A 132  ASP A 135  LYS A 136  HIS A 149                    
SITE     2 AD2 11 HOH A 367  PRO K  -2  VAL K  -3  THR K   1                    
SITE     3 AD2 11 SER K   2  HOH K 107  HOH K 110                               
SITE     1 AD3  7 MET D 132  CAS D 133  HIS D 149  PRO L  -2                    
SITE     2 AD3  7 ASP L  -1  SER L   2  ILE L   3                               
SITE     1 AD4  7 VAL D 148  LEU D 150  THR J   1  SER J   2                    
SITE     2 AD4  7 ILE J   3  HIS L   4  HOH L 101                               
SITE     1 AD5  6 MET D 132  CAS D 133  HIS D 149  PRO L  -2                    
SITE     2 AD5  6 THR L   1  HOH L 102                                          
CRYST1  113.177  156.763   57.571  90.00  90.00  90.00 P 21 21 2    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      0.008836  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.006379  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017370        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system