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Database: PDB
Entry: 5WUX
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HEADER    IMMUNE SYSTEM                           21-DEC-16   5WUX              
TITLE     TNFALPHA-CERTOLIZUMAB FAB                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HEAVY;                                                     
COMPND   3 CHAIN: A, C, H;                                                      
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: LIGHT;                                                     
COMPND   7 CHAIN: B, D, L;                                                      
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: TUMOR NECROSIS FACTOR ALPHA;                               
COMPND  11 CHAIN: E, F, G;                                                      
COMPND  12 FRAGMENT: UNP RESIDUES 76-232;                                       
COMPND  13 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_TAXID: 9606;                                                
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE   5 PPPB1GAP_S;                                                          
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 1182034;                                    
SOURCE   7 MOL_ID: 2;                                                           
SOURCE   8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   9 ORGANISM_TAXID: 9606;                                                
SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE  11 PPPARG4;                                                             
SOURCE  12 EXPRESSION_SYSTEM_TAXID: 1182032;                                    
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  15 ORGANISM_COMMON: HUMAN;                                              
SOURCE  16 ORGANISM_TAXID: 9606;                                                
SOURCE  17 GENE: TNF;                                                           
SOURCE  18 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE  19 PPPARG4;                                                             
SOURCE  20 EXPRESSION_SYSTEM_TAXID: 1182032                                     
KEYWDS    ANTIBODY, IMMUNE SYSTEM                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.S.HEO,J.U.LEE                                                       
REVDAT   1   07-JUN-17 5WUX    0                                                
JRNL        AUTH   J.U.LEE,W.SHIN,J.Y.SON,K.Y.YOO,Y.S.HEO                       
JRNL        TITL   MOLECULAR BASIS FOR THE NEUTRALIZATION OF TUMOR NECROSIS     
JRNL        TITL 2 FACTOR ALPHA BY CERTOLIZUMAB PEGOL IN THE TREATMENT OF       
JRNL        TITL 3 INFLAMMATORY AUTOIMMUNE DISEASES                             
JRNL        REF    INT J MOL SCI                 V.  18       2017              
JRNL        REFN                   ESSN 1422-0067                               
JRNL        PMID   28124979                                                     
JRNL        DOI    10.3390/IJMS18010228                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 95.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 63355                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.228                           
REMARK   3   R VALUE            (WORKING SET) : 0.226                           
REMARK   3   FREE R VALUE                     : 0.266                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.080                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3216                            
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 31.0540 -  8.1675    0.96     2712   128  0.1928 0.1946        
REMARK   3     2  8.1675 -  6.5023    0.99     2732   160  0.2048 0.2560        
REMARK   3     3  6.5023 -  5.6861    0.99     2755   132  0.2065 0.2339        
REMARK   3     4  5.6861 -  5.1688    0.98     2707   143  0.1769 0.2241        
REMARK   3     5  5.1688 -  4.7998    0.97     2670   139  0.1629 0.1789        
REMARK   3     6  4.7998 -  4.5177    0.94     2582   147  0.1654 0.2099        
REMARK   3     7  4.5177 -  4.2920    0.95     2641   139  0.1711 0.2111        
REMARK   3     8  4.2920 -  4.1056    0.94     2533   148  0.1986 0.2336        
REMARK   3     9  4.1056 -  3.9479    0.92     2579   130  0.2210 0.2805        
REMARK   3    10  3.9479 -  3.8119    0.89     2444   128  0.3149 0.3265        
REMARK   3    11  3.8119 -  3.6929    0.93     2542   139  0.2756 0.3643        
REMARK   3    12  3.6929 -  3.5875    0.95     2627   137  0.2970 0.3792        
REMARK   3    13  3.5875 -  3.4932    0.95     2595   165  0.2738 0.3397        
REMARK   3    14  3.4932 -  3.4081    0.90     2442   145  0.3568 0.3639        
REMARK   3    15  3.4081 -  3.3307    0.92     2512   147  0.3306 0.3671        
REMARK   3    16  3.3307 -  3.2599    0.95     2601   150  0.2781 0.3282        
REMARK   3    17  3.2599 -  3.1948    0.97     2652   140  0.2693 0.3286        
REMARK   3    18  3.1948 -  3.1345    0.97     2641   150  0.2446 0.3073        
REMARK   3    19  3.1345 -  3.0786    0.97     2698   128  0.2567 0.2928        
REMARK   3    20  3.0786 -  3.0265    0.97     2651   122  0.2717 0.3376        
REMARK   3    21  3.0265 -  2.9777    0.97     2664   145  0.2793 0.3353        
REMARK   3    22  2.9777 -  2.9319    0.97     2700   127  0.3223 0.3630        
REMARK   3    23  2.9319 -  2.8888    0.92     2459   127  0.3749 0.4460        
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)     : 0.460            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 30.660           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006          13107                                  
REMARK   3   ANGLE     :  1.278          17816                                  
REMARK   3   CHIRALITY :  0.047           2001                                  
REMARK   3   PLANARITY :  0.006           2276                                  
REMARK   3   DIHEDRAL  : 18.365           4677                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 60                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 1 THROUGH 33 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -17.6819  27.9067   1.3629              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5100 T22:   0.9314                                     
REMARK   3      T33:   0.9320 T12:  -0.1919                                     
REMARK   3      T13:  -0.1639 T23:  -0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1849 L22:   0.1470                                     
REMARK   3      L33:   0.1648 L12:  -0.0543                                     
REMARK   3      L13:   0.3614 L23:  -0.1283                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1162 S12:   0.0344 S13:   0.2209                       
REMARK   3      S21:   0.2507 S22:  -0.3158 S23:  -0.1480                       
REMARK   3      S31:  -0.5251 S32:   0.2193 S33:   0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 34 THROUGH 83 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.5544  20.1573   2.8916              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1963 T22:   1.2490                                     
REMARK   3      T33:   0.6406 T12:  -0.2059                                     
REMARK   3      T13:  -0.1492 T23:  -0.0918                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1067 L22:   0.6581                                     
REMARK   3      L33:   0.0656 L12:   0.0921                                     
REMARK   3      L13:  -0.2102 L23:  -0.3799                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1676 S12:   0.1414 S13:  -0.0245                       
REMARK   3      S21:   0.2965 S22:  -0.0314 S23:  -0.1837                       
REMARK   3      S31:  -0.5372 S32:   0.3799 S33:   0.0000                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 84 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -10.9400  21.3974  -6.6498              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3871 T22:   1.1667                                     
REMARK   3      T33:   0.6643 T12:  -0.2275                                     
REMARK   3      T13:  -0.0560 T23:   0.0503                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0139 L22:  -0.0219                                     
REMARK   3      L33:  -0.0069 L12:   0.1010                                     
REMARK   3      L13:  -0.1022 L23:  -0.0543                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1038 S12:   0.0642 S13:  -0.0061                       
REMARK   3      S21:   0.2856 S22:  -0.1281 S23:   0.0373                       
REMARK   3      S31:  -0.2422 S32:   0.7019 S33:   0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 99 THROUGH 162 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -21.021   29.905  -16.328              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.7316 T22:   0.9576                                     
REMARK   3      T33:   0.5768 T12:  -0.4508                                     
REMARK   3      T13:  -0.2863 T23:  -0.0809                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0985 L22:  -0.2588                                     
REMARK   3      L33:   0.0349 L12:   0.3883                                     
REMARK   3      L13:  -0.2360 L23:  -0.2622                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7219 S12:  -0.1954 S13:   0.0580                       
REMARK   3      S21:  -0.6697 S22:  -0.6141 S23:  -0.1158                       
REMARK   3      S31:  -1.5610 S32:   0.5227 S33:  -0.0000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 163 THROUGH 199 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -29.4338  33.6378 -27.2650              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5036 T22:   0.4024                                     
REMARK   3      T33:   0.5103 T12:  -0.1827                                     
REMARK   3      T13:   0.0867 T23:  -0.0559                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0622 L22:   0.4398                                     
REMARK   3      L33:   0.0677 L12:   0.2083                                     
REMARK   3      L13:  -0.1876 L23:  -0.2882                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3264 S12:  -0.0890 S13:  -0.0506                       
REMARK   3      S21:   0.2357 S22:   0.0617 S23:  -0.1261                       
REMARK   3      S31:  -0.2117 S32:  -0.0490 S33:  -0.0000                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 200 THROUGH 220 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -24.2374  42.0554 -23.7092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7972 T22:   0.6145                                     
REMARK   3      T33:   0.7479 T12:  -0.2171                                     
REMARK   3      T13:  -0.0295 T23:  -0.1767                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2131 L22:   0.1485                                     
REMARK   3      L33:   0.1200 L12:   0.1963                                     
REMARK   3      L13:  -0.2933 L23:  -0.0927                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0372 S12:  -0.1886 S13:   0.6165                       
REMARK   3      S21:   0.2506 S22:  -0.4733 S23:  -0.1054                       
REMARK   3      S31:  -0.7096 S32:   0.3205 S33:  -0.0000                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 1 THROUGH 18 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -29.1750   3.8443 -13.3211              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4629 T22:   0.7544                                     
REMARK   3      T33:   0.6280 T12:  -0.0168                                     
REMARK   3      T13:  -0.0571 T23:   0.0418                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0420 L22:   0.0849                                     
REMARK   3      L33:   0.0274 L12:   0.0002                                     
REMARK   3      L13:  -0.0614 L23:  -0.1044                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1160 S12:   0.2212 S13:  -0.2904                       
REMARK   3      S21:  -0.0477 S22:  -0.0419 S23:  -0.0334                       
REMARK   3      S31:   0.1646 S32:   0.3440 S33:   0.0000                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 19 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -29.6672   7.9707  -4.6985              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3248 T22:   0.4864                                     
REMARK   3      T33:   0.4411 T12:   0.0071                                     
REMARK   3      T13:  -0.0478 T23:  -0.0241                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1210 L22:   0.6997                                     
REMARK   3      L33:   0.6435 L12:   0.5820                                     
REMARK   3      L13:   0.4685 L23:   0.2354                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0314 S12:  -0.0531 S13:  -0.1054                       
REMARK   3      S21:   0.0000 S22:   0.0615 S23:  -0.0651                       
REMARK   3      S31:   0.0170 S32:   0.2162 S33:  -0.0000                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 103 THROUGH 113 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -37.1013  12.9238 -26.5529              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4010 T22:   0.6278                                     
REMARK   3      T33:   0.4209 T12:  -0.2040                                     
REMARK   3      T13:   0.0054 T23:   0.0090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0338 L22:   0.0391                                     
REMARK   3      L33:   0.0386 L12:   0.0297                                     
REMARK   3      L13:   0.0442 L23:   0.0600                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2481 S12:  -0.2201 S13:   0.0794                       
REMARK   3      S21:  -0.4895 S22:   0.6360 S23:  -0.0337                       
REMARK   3      S31:  -0.1467 S32:   0.3523 S33:  -0.0000                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 114 THROUGH 139 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.6748  33.3643 -36.9309              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4922 T22:   0.3660                                     
REMARK   3      T33:   0.4870 T12:  -0.1450                                     
REMARK   3      T13:   0.0518 T23:  -0.0525                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3208 L22:   0.0152                                     
REMARK   3      L33:   0.1331 L12:  -0.1495                                     
REMARK   3      L13:   0.4221 L23:  -0.2020                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2150 S12:   0.0516 S13:   0.1755                       
REMARK   3      S21:  -0.2222 S22:   0.1627 S23:   0.1433                       
REMARK   3      S31:   0.0382 S32:  -0.0195 S33:  -0.0000                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 140 THROUGH 160 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.4866  20.8559 -40.7180              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5420 T22:   0.4990                                     
REMARK   3      T33:   0.5965 T12:  -0.1061                                     
REMARK   3      T13:   0.0634 T23:  -0.0600                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0361 L22:   0.0079                                     
REMARK   3      L33:   0.0026 L12:   0.0482                                     
REMARK   3      L13:  -0.0169 L23:   0.0973                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1021 S12:   0.1513 S13:  -0.3995                       
REMARK   3      S21:  -0.1258 S22:   0.0398 S23:  -0.5121                       
REMARK   3      S31:   0.2058 S32:  -0.1440 S33:  -0.0000                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 161 THROUGH 172 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -33.5519  20.3153 -24.4823              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5778 T22:   0.6586                                     
REMARK   3      T33:   0.7276 T12:  -0.1529                                     
REMARK   3      T13:   0.0050 T23:  -0.0751                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0339 L22:   0.0344                                     
REMARK   3      L33:   0.0309 L12:  -0.0319                                     
REMARK   3      L13:   0.0362 L23:   0.0045                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3317 S12:  -0.0770 S13:   0.2794                       
REMARK   3      S21:  -0.0097 S22:   0.3849 S23:  -0.4741                       
REMARK   3      S31:  -0.2056 S32:  -0.1846 S33:  -0.0000                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 173 THROUGH 213 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.4721  27.9311 -43.4444              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6163 T22:   0.4896                                     
REMARK   3      T33:   0.5432 T12:  -0.1834                                     
REMARK   3      T13:   0.0961 T23:  -0.0015                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3239 L22:   0.5314                                     
REMARK   3      L33:   0.2065 L12:  -0.3710                                     
REMARK   3      L13:  -0.1230 L23:   0.0671                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0504 S12:   0.0373 S13:   0.1294                       
REMARK   3      S21:  -0.2736 S22:  -0.0612 S23:   0.0019                       
REMARK   3      S31:  -0.1119 S32:  -0.0531 S33:   0.0000                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 124 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -81.9571  13.2397  36.3193              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5753 T22:   0.3593                                     
REMARK   3      T33:   0.3951 T12:   0.1458                                     
REMARK   3      T13:  -0.0145 T23:  -0.0977                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6571 L22:  -0.3419                                     
REMARK   3      L33:   1.1638 L12:   0.9513                                     
REMARK   3      L13:   0.1031 L23:  -0.0340                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1026 S12:  -0.3011 S13:   0.1789                       
REMARK   3      S21:   0.0817 S22:   0.1114 S23:  -0.0586                       
REMARK   3      S31:  -0.1211 S32:  -0.1508 S33:  -0.0000                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 125 THROUGH 218 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -102.312   -8.612   38.029              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4400 T22:   0.9603                                     
REMARK   3      T33:   1.0263 T12:   0.4814                                     
REMARK   3      T13:   0.4747 T23:   0.3631                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0230 L22:   0.0204                                     
REMARK   3      L33:  -0.0049 L12:  -0.0201                                     
REMARK   3      L13:   0.0553 L23:  -0.0023                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.9372 S12:  -0.2893 S13:  -0.9972                       
REMARK   3      S21:   0.4127 S22:   0.3492 S23:   0.1415                       
REMARK   3      S31:  -0.8495 S32:   0.3628 S33:   0.0000                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 113 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -77.4163   0.4938  17.7615              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5061 T22:   0.3216                                     
REMARK   3      T33:   0.3244 T12:   0.0693                                     
REMARK   3      T13:  -0.0275 T23:  -0.0573                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6428 L22:   0.2796                                     
REMARK   3      L33:   0.5485 L12:  -0.6871                                     
REMARK   3      L13:  -0.2919 L23:   0.4929                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0521 S12:   0.2144 S13:  -0.1462                       
REMARK   3      S21:  -0.2251 S22:   0.0012 S23:   0.0314                       
REMARK   3      S31:  -0.1677 S32:   0.0519 S33:   0.0000                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 114 THROUGH 144 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):-109.3274 -11.4335  28.6048              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6370 T22:   0.7120                                     
REMARK   3      T33:   0.7336 T12:   0.0608                                     
REMARK   3      T13:   0.2051 T23:   0.1491                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2101 L22:   0.0926                                     
REMARK   3      L33:   0.0422 L12:  -0.0088                                     
REMARK   3      L13:   0.2835 L23:   0.2439                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0889 S12:   0.2239 S13:   0.0328                       
REMARK   3      S21:   0.1913 S22:   0.1519 S23:   0.1430                       
REMARK   3      S31:  -0.0321 S32:  -0.0671 S33:  -0.0000                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 145 THROUGH 185 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):-109.5190  -8.3556  23.3811              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5505 T22:   0.5287                                     
REMARK   3      T33:   0.7788 T12:  -0.0246                                     
REMARK   3      T13:   0.0101 T23:   0.0293                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0587 L22:   0.4177                                     
REMARK   3      L33:   0.3836 L12:   0.1872                                     
REMARK   3      L13:  -0.1630 L23:  -0.1886                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1625 S12:   0.2789 S13:  -0.1563                       
REMARK   3      S21:   0.0871 S22:   0.3675 S23:   0.0747                       
REMARK   3      S31:  -0.0238 S32:  -0.0138 S33:   0.0000                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 186 THROUGH 212 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):-117.0646 -15.8234  22.6518              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7570 T22:   0.7733                                     
REMARK   3      T33:   1.3417 T12:  -0.0901                                     
REMARK   3      T13:   0.1189 T23:   0.0342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1901 L22:   0.0609                                     
REMARK   3      L33:   0.1676 L12:   0.0178                                     
REMARK   3      L13:   0.2481 L23:  -0.1317                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1047 S12:   0.3205 S13:  -0.0146                       
REMARK   3      S21:  -0.0309 S22:   0.2075 S23:   0.6508                       
REMARK   3      S31:   0.0386 S32:  -0.1474 S33:  -0.0000                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 17 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -23.3864 -44.2542  36.6718              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6352 T22:   0.7917                                     
REMARK   3      T33:   0.6053 T12:   0.1867                                     
REMARK   3      T13:   0.0496 T23:   0.1348                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0503 L22:   0.1264                                     
REMARK   3      L33:   0.1398 L12:   0.0199                                     
REMARK   3      L13:   0.0209 L23:   0.2710                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1338 S12:   0.2461 S13:  -0.1912                       
REMARK   3      S21:   0.2572 S22:  -0.0506 S23:  -0.1731                       
REMARK   3      S31:   0.1688 S32:   0.5968 S33:   0.0000                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 18 THROUGH 76 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -31.1712 -35.7228  39.7434              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6148 T22:   0.8232                                     
REMARK   3      T33:   0.4531 T12:   0.1669                                     
REMARK   3      T13:   0.0536 T23:   0.0119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1857 L22:   0.6138                                     
REMARK   3      L33:   0.1968 L12:  -0.4160                                     
REMARK   3      L13:   0.6272 L23:  -0.3357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0710 S12:  -0.0744 S13:   0.0262                       
REMARK   3      S21:   0.1815 S22:   0.0164 S23:   0.1507                       
REMARK   3      S31:  -0.0252 S32:   0.0904 S33:   0.0000                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 77 THROUGH 111 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -30.7589 -38.8705  36.0293              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5226 T22:   0.7640                                     
REMARK   3      T33:   0.4529 T12:   0.1820                                     
REMARK   3      T13:   0.0390 T23:   0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0006 L22:   0.2231                                     
REMARK   3      L33:   0.3087 L12:  -0.1131                                     
REMARK   3      L13:  -0.2968 L23:   0.2386                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0638 S12:  -0.0816 S13:  -0.1601                       
REMARK   3      S21:   0.0627 S22:  -0.1175 S23:   0.1359                       
REMARK   3      S31:   0.0331 S32:   0.1540 S33:   0.0000                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 112 THROUGH 150 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -17.395  -59.578   25.192              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5306 T22:   0.7531                                     
REMARK   3      T33:   0.7897 T12:   0.1774                                     
REMARK   3      T13:   0.1885 T23:   0.2221                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2533 L22:   0.3163                                     
REMARK   3      L33:   0.0424 L12:  -0.1479                                     
REMARK   3      L13:  -0.1144 L23:  -0.0739                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1649 S12:  -0.5024 S13:  -0.6002                       
REMARK   3      S21:  -0.2283 S22:  -0.3861 S23:  -0.2644                       
REMARK   3      S31:  -0.7236 S32:   0.5356 S33:  -0.0000                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 151 THROUGH 162 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.1597 -52.3053  23.3469              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8796 T22:   0.8216                                     
REMARK   3      T33:   0.8148 T12:   0.0563                                     
REMARK   3      T13:   0.1664 T23:   0.0129                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0396 L22:  -0.0315                                     
REMARK   3      L33:   0.0391 L12:   0.0236                                     
REMARK   3      L13:   0.0200 L23:   0.0048                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1396 S12:   0.3837 S13:  -0.1021                       
REMARK   3      S21:   0.1811 S22:  -0.1078 S23:  -0.1182                       
REMARK   3      S31:  -0.3686 S32:   0.2732 S33:  -0.0000                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 163 THROUGH 180 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -20.3143 -55.9812  18.2437              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7811 T22:   0.9345                                     
REMARK   3      T33:   0.9305 T12:   0.1641                                     
REMARK   3      T13:   0.2060 T23:   0.0409                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1349 L22:   0.1141                                     
REMARK   3      L33:   0.1198 L12:  -0.1847                                     
REMARK   3      L13:   0.0512 L23:   0.1206                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1357 S12:  -0.0571 S13:  -0.6049                       
REMARK   3      S21:  -0.1627 S22:  -0.1211 S23:  -0.4556                       
REMARK   3      S31:   0.0904 S32:   0.5282 S33:  -0.0000                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 181 THROUGH 216 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -10.602  -54.783   19.519              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7072 T22:   1.0026                                     
REMARK   3      T33:   0.9561 T12:   0.3994                                     
REMARK   3      T13:   1.1539 T23:   0.4686                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0630 L22:   0.0126                                     
REMARK   3      L33:  -0.0667 L12:   0.0472                                     
REMARK   3      L13:  -0.1114 L23:   0.0004                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4280 S12:   0.0934 S13:   0.0601                       
REMARK   3      S21:  -1.0148 S22:   0.2959 S23:  -0.0505                       
REMARK   3      S31:   0.0525 S32:  -0.2987 S33:  -0.0000                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 1 THROUGH 38 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -44.0744 -35.8506  18.7688              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5896 T22:   0.5492                                     
REMARK   3      T33:   0.4534 T12:   0.2852                                     
REMARK   3      T13:  -0.0048 T23:  -0.0763                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3907 L22:   0.4354                                     
REMARK   3      L33:   0.0331 L12:   0.2760                                     
REMARK   3      L13:   0.1570 L23:   0.1191                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1031 S12:  -0.0671 S13:  -0.1137                       
REMARK   3      S21:  -0.3029 S22:  -0.0813 S23:   0.2931                       
REMARK   3      S31:  -0.2626 S32:  -0.1297 S33:  -0.0000                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 39 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -36.9625 -29.5416  18.2429              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5052 T22:   0.5803                                     
REMARK   3      T33:   0.4037 T12:   0.1965                                     
REMARK   3      T13:   0.0264 T23:  -0.0267                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1375 L22:   0.3716                                     
REMARK   3      L33:   0.2196 L12:   0.1301                                     
REMARK   3      L13:   0.3300 L23:   0.5948                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1469 S12:  -0.0502 S13:  -0.0509                       
REMARK   3      S21:  -0.1193 S22:   0.0424 S23:   0.0791                       
REMARK   3      S31:   0.0249 S32:   0.0257 S33:  -0.0000                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 76 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -38.8120 -36.0456  21.3413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6000 T22:   0.6672                                     
REMARK   3      T33:   0.4966 T12:   0.1844                                     
REMARK   3      T13:   0.0724 T23:  -0.0282                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2493 L22:   0.3517                                     
REMARK   3      L33:   0.0004 L12:  -0.3051                                     
REMARK   3      L13:  -0.1460 L23:  -0.1768                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0402 S12:  -0.2034 S13:  -0.2844                       
REMARK   3      S21:  -0.1345 S22:   0.0260 S23:   0.2158                       
REMARK   3      S31:  -0.2633 S32:   0.1046 S33:   0.0000                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 103 THROUGH 129 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -20.5295 -59.5073   9.5592              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1038 T22:   1.0257                                     
REMARK   3      T33:   0.6681 T12:   0.5678                                     
REMARK   3      T13:   0.2394 T23:  -0.1888                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0264 L22:   0.2498                                     
REMARK   3      L33:  -0.1298 L12:   0.0971                                     
REMARK   3      L13:   0.1136 L23:   0.3782                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4093 S12:  -0.0750 S13:  -0.7496                       
REMARK   3      S21:  -0.8649 S22:  -0.0045 S23:   0.5614                       
REMARK   3      S31:   0.1981 S32:   0.4945 S33:   0.0000                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 130 THROUGH 158 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -26.516  -62.549    7.749              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0519 T22:   0.5873                                     
REMARK   3      T33:   0.5043 T12:   0.2417                                     
REMARK   3      T13:   0.1274 T23:  -0.0516                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0695 L22:  -0.0049                                     
REMARK   3      L33:   0.0483 L12:  -0.0267                                     
REMARK   3      L13:   0.0742 L23:   0.0744                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5001 S12:   0.2542 S13:   0.1687                       
REMARK   3      S21:  -0.3279 S22:   0.1692 S23:  -0.4380                       
REMARK   3      S31:   0.5875 S32:  -0.1179 S33:   0.0000                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 159 THROUGH 188 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.0499 -62.0009  11.9787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0916 T22:   0.9573                                     
REMARK   3      T33:   0.7824 T12:   0.2486                                     
REMARK   3      T13:   0.1314 T23:  -0.1113                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2272 L22:   0.0051                                     
REMARK   3      L33:  -0.0632 L12:  -0.0806                                     
REMARK   3      L13:   0.0732 L23:  -0.1123                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2378 S12:  -0.2368 S13:   0.0965                       
REMARK   3      S21:  -0.4427 S22:   0.0842 S23:  -0.1849                       
REMARK   3      S31:   0.1698 S32:   0.2102 S33:   0.0000                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 189 THROUGH 208 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -24.4746 -67.5978   0.4995              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4358 T22:   0.9071                                     
REMARK   3      T33:   1.1019 T12:   0.4592                                     
REMARK   3      T13:  -0.0930 T23:  -0.2877                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0266 L22:  -0.0247                                     
REMARK   3      L33:   0.0271 L12:  -0.0417                                     
REMARK   3      L13:  -0.0595 L23:  -0.0531                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1151 S12:  -0.3530 S13:  -0.1596                       
REMARK   3      S21:  -0.5471 S22:   0.9874 S23:   0.6065                       
REMARK   3      S31:   0.7139 S32:   0.4954 S33:  -0.0000                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 9 THROUGH 27 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -43.0621  16.6666  19.5667              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6526 T22:   0.8950                                     
REMARK   3      T33:   0.5773 T12:   0.1852                                     
REMARK   3      T13:  -0.1967 T23:  -0.2651                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0942 L22:  -0.0309                                     
REMARK   3      L33:  -0.0438 L12:   0.1451                                     
REMARK   3      L13:   0.0600 L23:  -0.0206                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3656 S12:  -0.5798 S13:   0.6869                       
REMARK   3      S21:  -0.2580 S22:  -0.2587 S23:   0.6075                       
REMARK   3      S31:  -0.1173 S32:   0.2040 S33:   0.0000                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 28 THROUGH 41 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -41.442   18.678   26.062              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4921 T22:   0.6015                                     
REMARK   3      T33:  -2.4579 T12:  -0.9021                                     
REMARK   3      T13:  -2.6198 T23:  -0.9963                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0093 L22:  -0.0021                                     
REMARK   3      L33:   0.0351 L12:  -0.0062                                     
REMARK   3      L13:   0.0086 L23:   0.0042                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0329 S12:  -0.0390 S13:  -0.1492                       
REMARK   3      S21:  -0.0003 S22:   0.0045 S23:  -0.0601                       
REMARK   3      S31:   0.1400 S32:  -0.0076 S33:  -0.0000                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 42 THROUGH 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -36.4317  12.5866  21.1183              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5771 T22:   0.7674                                     
REMARK   3      T33:   0.3560 T12:  -0.0202                                     
REMARK   3      T13:  -0.0970 T23:  -0.0651                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2883 L22:   0.2167                                     
REMARK   3      L33:   0.0588 L12:  -0.2932                                     
REMARK   3      L13:  -0.1598 L23:   0.1070                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1514 S12:   0.1085 S13:  -0.0847                       
REMARK   3      S21:  -0.0534 S22:   0.3859 S23:  -0.1159                       
REMARK   3      S31:  -0.2651 S32:   0.4366 S33:  -0.0000                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 67 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -46.6776  -0.7939  -1.1372              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8091 T22:   0.8841                                     
REMARK   3      T33:   0.4912 T12:   0.0987                                     
REMARK   3      T13:  -0.0259 T23:  -0.0130                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0088 L22:  -0.0357                                     
REMARK   3      L33:   0.0096 L12:   0.0211                                     
REMARK   3      L13:  -0.0114 L23:  -0.0536                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3847 S12:   0.3860 S13:  -0.3465                       
REMARK   3      S21:  -1.2115 S22:  -0.2467 S23:  -0.4514                       
REMARK   3      S31:   0.1446 S32:   0.2422 S33:  -0.0000                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 76 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -29.7382   7.1879  15.1390              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3933 T22:   0.7141                                     
REMARK   3      T33:   0.4506 T12:   0.0028                                     
REMARK   3      T13:  -0.0594 T23:  -0.0663                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0405 L22:  -0.0573                                     
REMARK   3      L33:  -0.0394 L12:   0.0231                                     
REMARK   3      L13:   0.0268 L23:  -0.0043                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1178 S12:   0.0403 S13:   0.0314                       
REMARK   3      S21:   0.0503 S22:   0.1080 S23:   0.0512                       
REMARK   3      S31:   0.0203 S32:   0.4466 S33:  -0.0000                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 99 THROUGH 113 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -52.781   -2.823    3.192              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9554 T22:   0.6427                                     
REMARK   3      T33:   0.6013 T12:   0.0389                                     
REMARK   3      T13:  -0.1838 T23:   0.0147                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0407 L22:   0.0265                                     
REMARK   3      L33:   0.0547 L12:   0.0136                                     
REMARK   3      L13:   0.0290 L23:   0.0319                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0632 S12:   0.0565 S13:  -0.0919                       
REMARK   3      S21:  -0.0912 S22:   0.1040 S23:  -0.0638                       
REMARK   3      S31:   0.1353 S32:  -0.0119 S33:   0.0000                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 114 THROUGH 126 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -40.5400   2.8124  18.4048              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4643 T22:   0.6638                                     
REMARK   3      T33:   0.4868 T12:  -0.0513                                     
REMARK   3      T13:  -0.0208 T23:  -0.0343                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0197 L22:   0.0869                                     
REMARK   3      L33:   0.1595 L12:  -0.0452                                     
REMARK   3      L13:  -0.1489 L23:  -0.0182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3239 S12:   0.4445 S13:   0.1153                       
REMARK   3      S21:   0.0527 S22:  -0.0670 S23:  -0.1237                       
REMARK   3      S31:   0.1120 S32:   0.0160 S33:   0.0000                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 127 THROUGH 136 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -29.9234  13.5665  19.4716              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4265 T22:   0.8261                                     
REMARK   3      T33:   0.7504 T12:  -0.0198                                     
REMARK   3      T13:  -0.1764 T23:  -0.1091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0027 L22:  -0.1731                                     
REMARK   3      L33:  -0.0380 L12:   0.0300                                     
REMARK   3      L13:  -0.0353 L23:   0.1826                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0588 S12:   0.6100 S13:   0.1233                       
REMARK   3      S21:   0.1420 S22:  -0.3446 S23:  -0.0987                       
REMARK   3      S31:  -0.1372 S32:   0.1665 S33:  -0.0000                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 137 THROUGH 157 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -45.0482   9.4755  15.5540              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3537 T22:   0.7463                                     
REMARK   3      T33:   0.4486 T12:   0.0878                                     
REMARK   3      T13:  -0.0732 T23:  -0.1773                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0000 L22:   0.0403                                     
REMARK   3      L33:   0.0460 L12:   0.1642                                     
REMARK   3      L13:  -0.1614 L23:   0.0163                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3374 S12:  -0.1704 S13:   0.5794                       
REMARK   3      S21:  -0.1462 S22:  -0.1542 S23:   0.0332                       
REMARK   3      S31:  -0.6676 S32:  -0.2897 S33:   0.0000                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 9 THROUGH 27 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -53.2613  -6.6999  36.4532              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5297 T22:   0.5655                                     
REMARK   3      T33:   0.4019 T12:   0.1558                                     
REMARK   3      T13:   0.0277 T23:  -0.0552                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2470 L22:   0.0062                                     
REMARK   3      L33:   0.1094 L12:  -0.1259                                     
REMARK   3      L13:  -0.2615 L23:  -0.0333                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1754 S12:  -0.3752 S13:   0.0492                       
REMARK   3      S21:   0.3966 S22:   0.4002 S23:   0.0644                       
REMARK   3      S31:   0.2577 S32:  -0.3879 S33:   0.0000                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 28 THROUGH 38 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -50.6593  -8.3653  39.9722              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8136 T22:   0.8895                                     
REMARK   3      T33:   0.4138 T12:   0.1790                                     
REMARK   3      T13:   0.0032 T23:   0.0394                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0154 L22:  -0.0238                                     
REMARK   3      L33:  -0.0058 L12:  -0.0957                                     
REMARK   3      L13:   0.0998 L23:   0.0083                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0849 S12:  -0.6793 S13:  -0.4911                       
REMARK   3      S21:   0.3010 S22:  -0.0385 S23:   0.5248                       
REMARK   3      S31:  -0.2885 S32:   0.6057 S33:   0.0000                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 39 THROUGH 53 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -54.6667   4.0620  41.3174              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5995 T22:   0.5620                                     
REMARK   3      T33:   0.4438 T12:   0.1067                                     
REMARK   3      T13:   0.0220 T23:  -0.1763                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0529 L22:  -0.0096                                     
REMARK   3      L33:   0.0022 L12:  -0.1131                                     
REMARK   3      L13:   0.1265 L23:  -0.0029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5166 S12:  -0.0134 S13:   0.3989                       
REMARK   3      S21:   0.7842 S22:   0.5379 S23:   0.8075                       
REMARK   3      S31:   0.2224 S32:   0.3121 S33:   0.0000                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 54 THROUGH 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -49.2231  -1.4911  27.8952              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5095 T22:   0.6090                                     
REMARK   3      T33:   0.5484 T12:  -0.0446                                     
REMARK   3      T13:  -0.0474 T23:  -0.0701                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1168 L22:  -0.0459                                     
REMARK   3      L33:  -0.0350 L12:  -0.0614                                     
REMARK   3      L13:  -0.0500 L23:   0.0719                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0004 S12:  -0.4253 S13:   0.1234                       
REMARK   3      S21:  -0.0125 S22:  -0.0951 S23:   0.1844                       
REMARK   3      S31:   0.0247 S32:   0.2751 S33:  -0.0000                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 67 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -61.8305  -9.8115  10.0759              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7713 T22:   0.5578                                     
REMARK   3      T33:   0.7994 T12:  -0.0989                                     
REMARK   3      T13:  -0.0343 T23:  -0.0796                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0300 L22:   0.0070                                     
REMARK   3      L33:   0.0072 L12:   0.0175                                     
REMARK   3      L13:   0.0328 L23:   0.0733                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1007 S12:   0.2355 S13:  -0.4506                       
REMARK   3      S21:   0.0418 S22:   0.4748 S23:  -0.2059                       
REMARK   3      S31:   0.7435 S32:  -0.6396 S33:   0.0000                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 76 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -57.2089   7.5710  27.1390              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5258 T22:   0.2132                                     
REMARK   3      T33:   0.4719 T12:   0.0194                                     
REMARK   3      T13:   0.0238 T23:  -0.0220                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0193 L22:  -0.1321                                     
REMARK   3      L33:   0.0010 L12:  -0.1853                                     
REMARK   3      L13:  -0.1208 L23:   0.0220                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0365 S12:   0.0156 S13:   0.0275                       
REMARK   3      S21:   0.1325 S22:   0.2110 S23:   0.0627                       
REMARK   3      S31:   0.0014 S32:   0.6221 S33:  -0.0000                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 99 THROUGH 113 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -55.485  -12.584    8.607              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9557 T22:   0.7919                                     
REMARK   3      T33:   0.5811 T12:   0.2022                                     
REMARK   3      T13:   0.0800 T23:   0.4328                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0004 L22:   0.0025                                     
REMARK   3      L33:   0.0361 L12:   0.0059                                     
REMARK   3      L13:   0.0119 L23:   0.0069                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1111 S12:   0.1022 S13:  -0.3422                       
REMARK   3      S21:  -0.1612 S22:   0.1420 S23:  -0.0147                       
REMARK   3      S31:  -0.1055 S32:  -0.1445 S33:  -0.0000                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 114 THROUGH 126 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -48.9716  -0.4497  23.6940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4451 T22:   0.4921                                     
REMARK   3      T33:   0.4566 T12:   0.0996                                     
REMARK   3      T13:   0.0422 T23:  -0.0325                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0737 L22:  -0.0235                                     
REMARK   3      L33:  -0.0223 L12:  -0.0066                                     
REMARK   3      L13:  -0.1855 L23:   0.0632                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0509 S12:  -0.2068 S13:  -0.1732                       
REMARK   3      S21:   0.0777 S22:   0.0783 S23:   0.2074                       
REMARK   3      S31:  -0.0767 S32:   0.1991 S33:   0.0000                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 127 THROUGH 136 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -56.3549   6.7392  34.7634              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6452 T22:   0.4239                                     
REMARK   3      T33:   0.3526 T12:   0.1192                                     
REMARK   3      T13:  -0.0500 T23:  -0.0472                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0089 L22:   0.0132                                     
REMARK   3      L33:   0.0170 L12:  -0.0775                                     
REMARK   3      L13:   0.0362 L23:  -0.0110                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4481 S12:  -0.6343 S13:  -0.3763                       
REMARK   3      S21:   0.1794 S22:   0.2871 S23:   0.2649                       
REMARK   3      S31:  -0.0311 S32:   0.1182 S33:   0.0000                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 137 THROUGH 157 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -52.9404  -7.2266  27.5814              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3884 T22:   0.5187                                     
REMARK   3      T33:   0.3941 T12:   0.0517                                     
REMARK   3      T13:   0.0558 T23:  -0.0708                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0739 L22:   0.2382                                     
REMARK   3      L33:   0.2243 L12:  -0.2432                                     
REMARK   3      L13:   0.0009 L23:  -0.1641                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2263 S12:  -0.2598 S13:   0.0060                       
REMARK   3      S21:   0.1605 S22:  -0.2315 S23:   0.0757                       
REMARK   3      S31:   0.1475 S32:  -0.2117 S33:   0.0000                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 9 THROUGH 25 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7249  -6.0769  24.8113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3875 T22:   0.6650                                     
REMARK   3      T33:   0.4185 T12:  -0.0512                                     
REMARK   3      T13:   0.0169 T23:  -0.0984                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1083 L22:   0.0417                                     
REMARK   3      L33:  -0.0338 L12:   0.0992                                     
REMARK   3      L13:  -0.1769 L23:  -0.0320                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1150 S12:   0.3090 S13:  -0.0527                       
REMARK   3      S21:   0.1244 S22:  -0.3030 S23:   0.4732                       
REMARK   3      S31:  -0.2521 S32:   0.4709 S33:   0.0000                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 26 THROUGH 41 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -23.3989  -4.7967  26.2916              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5519 T22:   1.1044                                     
REMARK   3      T33:   0.5373 T12:   0.1053                                     
REMARK   3      T13:  -0.1220 T23:   0.0117                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0352 L22:   0.1933                                     
REMARK   3      L33:  -0.0064 L12:  -0.1086                                     
REMARK   3      L13:  -0.0351 L23:  -0.0625                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5824 S12:   0.0091 S13:  -0.4460                       
REMARK   3      S21:   0.3340 S22:  -0.5990 S23:  -0.4942                       
REMARK   3      S31:  -0.2312 S32:  -0.3337 S33:  -0.0000                       
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 42 THROUGH 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -31.8591  -8.5407  29.5201              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5176 T22:   0.7515                                     
REMARK   3      T33:   0.3566 T12:   0.2366                                     
REMARK   3      T13:  -0.0116 T23:  -0.0342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2929 L22:   0.1722                                     
REMARK   3      L33:  -0.0262 L12:   0.0582                                     
REMARK   3      L13:   0.1202 L23:   0.0059                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0015 S12:  -0.1638 S13:   0.0426                       
REMARK   3      S21:   0.1172 S22:   0.0180 S23:  -0.1274                       
REMARK   3      S31:   0.2379 S32:   0.5190 S33:   0.0000                       
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 67 THROUGH 74 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -43.4645 -19.2329   5.5843              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3183 T22:   0.8498                                     
REMARK   3      T33:   1.0220 T12:  -0.0638                                     
REMARK   3      T13:   0.0174 T23:  -0.3231                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0169 L22:   0.0388                                     
REMARK   3      L33:   0.0167 L12:  -0.0573                                     
REMARK   3      L13:   0.0133 L23:   0.0017                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6009 S12:  -0.0960 S13:  -0.2716                       
REMARK   3      S21:  -0.2989 S22:   0.0415 S23:  -0.2217                       
REMARK   3      S31:   0.8284 S32:  -0.0988 S33:  -0.0000                       
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 75 THROUGH 99 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -40.0707 -15.8301  29.6067              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6138 T22:   0.6944                                     
REMARK   3      T33:   0.4023 T12:   0.2579                                     
REMARK   3      T13:   0.0067 T23:  -0.0022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0031 L22:  -0.2064                                     
REMARK   3      L33:  -0.0368 L12:   0.0220                                     
REMARK   3      L13:  -0.0440 L23:  -0.0871                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3007 S12:  -0.2275 S13:   0.4763                       
REMARK   3      S21:   0.0961 S22:  -0.0299 S23:   0.1011                       
REMARK   3      S31:   0.1510 S32:   0.1353 S33:   0.0000                       
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 100 THROUGH 113 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -44.255  -12.309    2.960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1840 T22:   2.0948                                     
REMARK   3      T33:   0.6986 T12:   0.2285                                     
REMARK   3      T13:  -0.2793 T23:  -0.3039                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0220 L22:   0.0007                                     
REMARK   3      L33:   0.0164 L12:  -0.0061                                     
REMARK   3      L13:   0.0176 L23:  -0.0024                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1117 S12:  -0.0135 S13:  -0.0126                       
REMARK   3      S21:  -0.1818 S22:   0.0116 S23:   0.0189                       
REMARK   3      S31:   0.0229 S32:   0.0467 S33:  -0.0000                       
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 114 THROUGH 126 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -40.4725  -6.7881  23.1369              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3745 T22:   0.4615                                     
REMARK   3      T33:   0.3556 T12:   0.1381                                     
REMARK   3      T13:  -0.0281 T23:  -0.0461                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0828 L22:  -0.0699                                     
REMARK   3      L33:   0.0117 L12:  -0.0782                                     
REMARK   3      L13:   0.0388 L23:   0.0093                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0050 S12:  -0.0912 S13:  -0.0904                       
REMARK   3      S21:  -0.0368 S22:   0.1595 S23:   0.1252                       
REMARK   3      S31:   0.0441 S32:   0.2169 S33:   0.0000                       
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 127 THROUGH 157 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -32.8525  -9.8438  23.9283              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5422 T22:   0.8033                                     
REMARK   3      T33:   0.3770 T12:   0.1877                                     
REMARK   3      T13:  -0.0546 T23:  -0.0620                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0824 L22:   0.1470                                     
REMARK   3      L33:  -0.0332 L12:   0.1684                                     
REMARK   3      L13:  -0.0774 L23:  -0.3021                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1667 S12:  -0.0941 S13:  -0.0954                       
REMARK   3      S21:   0.1250 S22:   0.0972 S23:  -0.0277                       
REMARK   3      S31:   0.1722 S32:   0.6545 S33:   0.0000                       
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 5WUX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-DEC-16.                  
REMARK 100 THE DEPOSITION ID IS D_1300002426.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-DEC-15                          
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               : PAL/PLS                            
REMARK 200  BEAMLINE                       : 7A (6B, 6C1)                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.00                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 63355                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.2                               
REMARK 200  DATA REDUNDANCY                : 2.900                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 68.57                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.91                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M 3-(CYCLOHEXYLAMINO)-1               
REMARK 280  -PROPANESULFONIC ACID PH10.2, 0.2M LITHIUM SULFATE, 1.5M            
REMARK 280  AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       74.29600            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000      103.60950            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       74.29600            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000      103.60950            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
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: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, G                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: H, L, E                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     SER A   132                                                      
REMARK 465     SER A   133                                                      
REMARK 465     LYS A   134                                                      
REMARK 465     SER A   135                                                      
REMARK 465     THR A   136                                                      
REMARK 465     SER A   137                                                      
REMARK 465     GLY A   138                                                      
REMARK 465     GLY A   139                                                      
REMARK 465     LYS A   219                                                      
REMARK 465     SER A   220                                                      
REMARK 465     CYS A   221                                                      
REMARK 465     ASP A   222                                                      
REMARK 465     LYS A   223                                                      
REMARK 465     THR A   224                                                      
REMARK 465     GLU B   213                                                      
REMARK 465     CYS B   214                                                      
REMARK 465     SER C   132                                                      
REMARK 465     SER C   133                                                      
REMARK 465     LYS C   134                                                      
REMARK 465     SER C   135                                                      
REMARK 465     THR C   136                                                      
REMARK 465     SER C   137                                                      
REMARK 465     GLY C   138                                                      
REMARK 465     GLY C   139                                                      
REMARK 465     THR C   140                                                      
REMARK 465     ALA C   141                                                      
REMARK 465     LEU C   194                                                      
REMARK 465     GLY C   195                                                      
REMARK 465     THR C   196                                                      
REMARK 465     GLN C   197                                                      
REMARK 465     GLU C   217                                                      
REMARK 465     PRO C   218                                                      
REMARK 465     LYS C   219                                                      
REMARK 465     SER C   220                                                      
REMARK 465     CYS C   221                                                      
REMARK 465     ASP C   222                                                      
REMARK 465     LYS C   223                                                      
REMARK 465     THR C   224                                                      
REMARK 465     GLN D   147                                                      
REMARK 465     TRP D   148                                                      
REMARK 465     LYS D   149                                                      
REMARK 465     VAL D   150                                                      
REMARK 465     ASP D   151                                                      
REMARK 465     ASN D   152                                                      
REMARK 465     ALA D   153                                                      
REMARK 465     PHE D   209                                                      
REMARK 465     ASN D   210                                                      
REMARK 465     ARG D   211                                                      
REMARK 465     GLY D   212                                                      
REMARK 465     GLU D   213                                                      
REMARK 465     CYS D   214                                                      
REMARK 465     SER H   132                                                      
REMARK 465     SER H   133                                                      
REMARK 465     LYS H   134                                                      
REMARK 465     SER H   135                                                      
REMARK 465     THR H   136                                                      
REMARK 465     SER H   137                                                      
REMARK 465     GLY H   138                                                      
REMARK 465     GLY H   139                                                      
REMARK 465     CYS H   221                                                      
REMARK 465     ASP H   222                                                      
REMARK 465     LYS H   223                                                      
REMARK 465     THR H   224                                                      
REMARK 465     CYS L   214                                                      
REMARK 465     VAL E     1                                                      
REMARK 465     ARG E     2                                                      
REMARK 465     SER E     3                                                      
REMARK 465     SER E     4                                                      
REMARK 465     SER E     5                                                      
REMARK 465     ARG E     6                                                      
REMARK 465     THR E     7                                                      
REMARK 465     PRO E     8                                                      
REMARK 465     LEU E    29                                                      
REMARK 465     ASN E    30                                                      
REMARK 465     ARG E    31                                                      
REMARK 465     ARG E    32                                                      
REMARK 465     GLN E   102                                                      
REMARK 465     ARG E   103                                                      
REMARK 465     GLU E   104                                                      
REMARK 465     THR E   105                                                      
REMARK 465     PRO E   106                                                      
REMARK 465     GLU E   107                                                      
REMARK 465     GLY E   108                                                      
REMARK 465     ALA E   109                                                      
REMARK 465     GLU E   110                                                      
REMARK 465     VAL F     1                                                      
REMARK 465     ARG F     2                                                      
REMARK 465     SER F     3                                                      
REMARK 465     SER F     4                                                      
REMARK 465     SER F     5                                                      
REMARK 465     ARG F     6                                                      
REMARK 465     THR F     7                                                      
REMARK 465     PRO F     8                                                      
REMARK 465     ARG F   103                                                      
REMARK 465     GLU F   104                                                      
REMARK 465     THR F   105                                                      
REMARK 465     PRO F   106                                                      
REMARK 465     GLU F   107                                                      
REMARK 465     GLY F   108                                                      
REMARK 465     ALA F   109                                                      
REMARK 465     GLU F   110                                                      
REMARK 465     VAL G     1                                                      
REMARK 465     ARG G     2                                                      
REMARK 465     SER G     3                                                      
REMARK 465     SER G     4                                                      
REMARK 465     SER G     5                                                      
REMARK 465     ARG G     6                                                      
REMARK 465     THR G     7                                                      
REMARK 465     PRO G     8                                                      
REMARK 465     ARG G   103                                                      
REMARK 465     GLU G   104                                                      
REMARK 465     THR G   105                                                      
REMARK 465     PRO G   106                                                      
REMARK 465     GLU G   107                                                      
REMARK 465     GLY G   108                                                      
REMARK 465     ALA G   109                                                      
REMARK 465     GLU G   110                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    TYR B   186     OH   TYR B   192              1.99            
REMARK 500   O    LEU D   125     NZ   LYS D   183              2.07            
REMARK 500   O    ILE L   106     NE2  GLN L   166              2.16            
REMARK 500   NH2  ARG D    18     OG1  THR G    72              2.18            
REMARK 500   O    HIS B   189     NH2  ARG B   211              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    PRO A 131   C   -  N   -  CA  ANGL. DEV. =  10.1 DEGREES          
REMARK 500    LEU A 146   CA  -  CB  -  CG  ANGL. DEV. =  18.5 DEGREES          
REMARK 500    LEU D 179   CA  -  CB  -  CG  ANGL. DEV. =  19.1 DEGREES          
REMARK 500    PRO F 113   C   -  N   -  CA  ANGL. DEV. =   9.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    THR A 210      154.73    163.34                                   
REMARK 500    LEU B  47      -60.80   -102.13                                   
REMARK 500    ALA B  51      -32.41     73.29                                   
REMARK 500    ALA B  84      176.65    177.50                                   
REMARK 500    TYR B 140      137.77   -175.37                                   
REMARK 500    ASN B 152       -1.76     75.07                                   
REMARK 500    LYS B 169      -71.16    -76.61                                   
REMARK 500    LYS B 190      -78.41    -59.38                                   
REMARK 500    LYS C  65       57.31     29.03                                   
REMARK 500    PHE C 151      137.68   -176.42                                   
REMARK 500    THR C 165      -56.23   -128.15                                   
REMARK 500    ASN C 209      -24.93     49.65                                   
REMARK 500    LEU D  47      -64.00    -95.89                                   
REMARK 500    ALA D  51      -32.97     68.35                                   
REMARK 500    ALA D  84     -178.92   -175.43                                   
REMARK 500    TYR D 140      142.89   -175.50                                   
REMARK 500    ARG D 142     -118.31     39.15                                   
REMARK 500    TYR D 186      -72.29    -86.34                                   
REMARK 500    LYS D 190      -78.82    -59.79                                   
REMARK 500    TYR H  27      174.33    179.19                                   
REMARK 500    SER H  77       65.38     62.87                                   
REMARK 500    SER H  85       74.25     57.99                                   
REMARK 500    PHE H 151      136.41   -179.94                                   
REMARK 500    LEU L  47      -67.12    -95.41                                   
REMARK 500    SER L  50       29.74     45.61                                   
REMARK 500    ALA L  51      -33.05     68.43                                   
REMARK 500    ALA L  84      179.66    178.57                                   
REMARK 500    PHE L  98     -162.30    -79.93                                   
REMARK 500    ASN L 138       72.59     52.92                                   
REMARK 500    ASN L 152       -1.83     66.48                                   
REMARK 500    LYS L 190      -64.16   -121.42                                   
REMARK 500    SER L 202      -71.48    -76.68                                   
REMARK 500    ASN E  34       -2.53     67.00                                   
REMARK 500    GLN E  67      -73.85   -100.78                                   
REMARK 500    PRO E  70     -176.32    -62.25                                   
REMARK 500    ASN E 137      -72.09    -49.94                                   
REMARK 500    ALA E 145      -74.79    -55.15                                   
REMARK 500    ARG F  32      158.41    176.79                                   
REMARK 500    LEU F  93      -66.28   -105.92                                   
REMARK 500    ASN G  30      -87.95   -100.45                                   
REMARK 500    ARG G  31      -12.60     53.32                                   
REMARK 500    ASN G  34       -2.98     72.71                                   
REMARK 500    ARG G  44     -178.61    167.50                                   
REMARK 500    ASN G  46       -0.31     68.82                                   
REMARK 500    GLN G  67      -73.75    -61.46                                   
REMARK 500    ALA G 145     -113.36     52.13                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 LEU A   72     ASP A   73                  147.84                    
REMARK 500 ASN A  209     THR A  210                  136.27                    
REMARK 500 THR A  210     LYS A  211                  140.07                    
REMARK 500 VAL C   64     LYS C   65                  148.35                    
REMARK 500 ASN C  209     THR C  210                 -131.79                    
REMARK 500 PRO D  141     ARG D  142                  139.79                    
REMARK 500 GLN E   21     ALA E   22                  144.44                    
REMARK 500 LEU G   43     ARG G   44                  134.75                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5WUV   RELATED DB: PDB                                   
DBREF  5WUX A    1   224  PDB    5WUX     5WUX             1    224             
DBREF  5WUX B    1   214  PDB    5WUX     5WUX             1    214             
DBREF  5WUX C    1   224  PDB    5WUX     5WUX             1    224             
DBREF  5WUX D    1   214  PDB    5WUX     5WUX             1    214             
DBREF  5WUX H    1   224  PDB    5WUX     5WUX             1    224             
DBREF  5WUX L    1   214  PDB    5WUX     5WUX             1    214             
DBREF  5WUX E    1   157  UNP    C1K3N5   C1K3N5_HUMAN    76    232             
DBREF  5WUX F    1   157  UNP    C1K3N5   C1K3N5_HUMAN    76    232             
DBREF  5WUX G    1   157  UNP    C1K3N5   C1K3N5_HUMAN    76    232             
SEQRES   1 A  224  GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 A  224  PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY          
SEQRES   3 A  224  TYR VAL PHE THR ASP TYR GLY MET ASN TRP VAL ARG GLN          
SEQRES   4 A  224  ALA PRO GLY LYS GLY LEU GLU TRP MET GLY TRP ILE ASN          
SEQRES   5 A  224  THR TYR ILE GLY GLU PRO ILE TYR ALA ASP SER VAL LYS          
SEQRES   6 A  224  GLY ARG PHE THR PHE SER LEU ASP THR SER LYS SER THR          
SEQRES   7 A  224  ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR          
SEQRES   8 A  224  ALA VAL TYR TYR CYS ALA ARG GLY TYR ARG SER TYR ALA          
SEQRES   9 A  224  MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER          
SEQRES  10 A  224  SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA          
SEQRES  11 A  224  PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU          
SEQRES  12 A  224  GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR          
SEQRES  13 A  224  VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS          
SEQRES  14 A  224  THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER          
SEQRES  15 A  224  LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY          
SEQRES  16 A  224  THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER          
SEQRES  17 A  224  ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS          
SEQRES  18 A  224  ASP LYS THR                                                  
SEQRES   1 B  214  ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA          
SEQRES   2 B  214  SER VAL GLY ASP ARG VAL THR ILE THR CYS LYS ALA SER          
SEQRES   3 B  214  GLN ASN VAL GLY THR ASN VAL ALA TRP TYR GLN GLN LYS          
SEQRES   4 B  214  PRO GLY LYS ALA PRO LYS ALA LEU ILE TYR SER ALA SER          
SEQRES   5 B  214  PHE LEU TYR SER GLY VAL PRO TYR ARG PHE SER GLY SER          
SEQRES   6 B  214  GLY SER GLY THR ASP PHE THR LEU THR ILE SER SER LEU          
SEQRES   7 B  214  GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN TYR          
SEQRES   8 B  214  ASN ILE TYR PRO LEU THR PHE GLY GLN GLY THR LYS VAL          
SEQRES   9 B  214  GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE          
SEQRES  10 B  214  PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA          
SEQRES  11 B  214  SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU          
SEQRES  12 B  214  ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER          
SEQRES  13 B  214  GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS          
SEQRES  14 B  214  ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER          
SEQRES  15 B  214  LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU          
SEQRES  16 B  214  VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER          
SEQRES  17 B  214  PHE ASN ARG GLY GLU CYS                                      
SEQRES   1 C  224  GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 C  224  PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY          
SEQRES   3 C  224  TYR VAL PHE THR ASP TYR GLY MET ASN TRP VAL ARG GLN          
SEQRES   4 C  224  ALA PRO GLY LYS GLY LEU GLU TRP MET GLY TRP ILE ASN          
SEQRES   5 C  224  THR TYR ILE GLY GLU PRO ILE TYR ALA ASP SER VAL LYS          
SEQRES   6 C  224  GLY ARG PHE THR PHE SER LEU ASP THR SER LYS SER THR          
SEQRES   7 C  224  ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR          
SEQRES   8 C  224  ALA VAL TYR TYR CYS ALA ARG GLY TYR ARG SER TYR ALA          
SEQRES   9 C  224  MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER          
SEQRES  10 C  224  SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA          
SEQRES  11 C  224  PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU          
SEQRES  12 C  224  GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR          
SEQRES  13 C  224  VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS          
SEQRES  14 C  224  THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER          
SEQRES  15 C  224  LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY          
SEQRES  16 C  224  THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER          
SEQRES  17 C  224  ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS          
SEQRES  18 C  224  ASP LYS THR                                                  
SEQRES   1 D  214  ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA          
SEQRES   2 D  214  SER VAL GLY ASP ARG VAL THR ILE THR CYS LYS ALA SER          
SEQRES   3 D  214  GLN ASN VAL GLY THR ASN VAL ALA TRP TYR GLN GLN LYS          
SEQRES   4 D  214  PRO GLY LYS ALA PRO LYS ALA LEU ILE TYR SER ALA SER          
SEQRES   5 D  214  PHE LEU TYR SER GLY VAL PRO TYR ARG PHE SER GLY SER          
SEQRES   6 D  214  GLY SER GLY THR ASP PHE THR LEU THR ILE SER SER LEU          
SEQRES   7 D  214  GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN TYR          
SEQRES   8 D  214  ASN ILE TYR PRO LEU THR PHE GLY GLN GLY THR LYS VAL          
SEQRES   9 D  214  GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE          
SEQRES  10 D  214  PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA          
SEQRES  11 D  214  SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU          
SEQRES  12 D  214  ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER          
SEQRES  13 D  214  GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS          
SEQRES  14 D  214  ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER          
SEQRES  15 D  214  LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU          
SEQRES  16 D  214  VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER          
SEQRES  17 D  214  PHE ASN ARG GLY GLU CYS                                      
SEQRES   1 H  224  GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 H  224  PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY          
SEQRES   3 H  224  TYR VAL PHE THR ASP TYR GLY MET ASN TRP VAL ARG GLN          
SEQRES   4 H  224  ALA PRO GLY LYS GLY LEU GLU TRP MET GLY TRP ILE ASN          
SEQRES   5 H  224  THR TYR ILE GLY GLU PRO ILE TYR ALA ASP SER VAL LYS          
SEQRES   6 H  224  GLY ARG PHE THR PHE SER LEU ASP THR SER LYS SER THR          
SEQRES   7 H  224  ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR          
SEQRES   8 H  224  ALA VAL TYR TYR CYS ALA ARG GLY TYR ARG SER TYR ALA          
SEQRES   9 H  224  MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER          
SEQRES  10 H  224  SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA          
SEQRES  11 H  224  PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU          
SEQRES  12 H  224  GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR          
SEQRES  13 H  224  VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS          
SEQRES  14 H  224  THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER          
SEQRES  15 H  224  LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY          
SEQRES  16 H  224  THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER          
SEQRES  17 H  224  ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS          
SEQRES  18 H  224  ASP LYS THR                                                  
SEQRES   1 L  214  ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA          
SEQRES   2 L  214  SER VAL GLY ASP ARG VAL THR ILE THR CYS LYS ALA SER          
SEQRES   3 L  214  GLN ASN VAL GLY THR ASN VAL ALA TRP TYR GLN GLN LYS          
SEQRES   4 L  214  PRO GLY LYS ALA PRO LYS ALA LEU ILE TYR SER ALA SER          
SEQRES   5 L  214  PHE LEU TYR SER GLY VAL PRO TYR ARG PHE SER GLY SER          
SEQRES   6 L  214  GLY SER GLY THR ASP PHE THR LEU THR ILE SER SER LEU          
SEQRES   7 L  214  GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN TYR          
SEQRES   8 L  214  ASN ILE TYR PRO LEU THR PHE GLY GLN GLY THR LYS VAL          
SEQRES   9 L  214  GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE          
SEQRES  10 L  214  PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA          
SEQRES  11 L  214  SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU          
SEQRES  12 L  214  ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER          
SEQRES  13 L  214  GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS          
SEQRES  14 L  214  ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER          
SEQRES  15 L  214  LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU          
SEQRES  16 L  214  VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER          
SEQRES  17 L  214  PHE ASN ARG GLY GLU CYS                                      
SEQRES   1 E  157  VAL ARG SER SER SER ARG THR PRO SER ASP LYS PRO VAL          
SEQRES   2 E  157  ALA HIS VAL VAL ALA ASN PRO GLN ALA GLU GLY GLN LEU          
SEQRES   3 E  157  GLN TRP LEU ASN ARG ARG ALA ASN ALA LEU LEU ALA ASN          
SEQRES   4 E  157  GLY VAL GLU LEU ARG ASP ASN GLN LEU VAL VAL PRO SER          
SEQRES   5 E  157  GLU GLY LEU TYR LEU ILE TYR SER GLN VAL LEU PHE LYS          
SEQRES   6 E  157  GLY GLN GLY CYS PRO SER THR HIS VAL LEU LEU THR HIS          
SEQRES   7 E  157  THR ILE SER ARG ILE ALA VAL SER TYR GLN THR LYS VAL          
SEQRES   8 E  157  ASN LEU LEU SER ALA ILE LYS SER PRO CYS GLN ARG GLU          
SEQRES   9 E  157  THR PRO GLU GLY ALA GLU ALA LYS PRO TRP TYR GLU PRO          
SEQRES  10 E  157  ILE TYR LEU GLY GLY VAL PHE GLN LEU GLU LYS GLY ASP          
SEQRES  11 E  157  ARG LEU SER ALA GLU ILE ASN ARG PRO ASP TYR LEU ASP          
SEQRES  12 E  157  PHE ALA GLU SER GLY GLN VAL TYR PHE GLY ILE ILE ALA          
SEQRES  13 E  157  LEU                                                          
SEQRES   1 F  157  VAL ARG SER SER SER ARG THR PRO SER ASP LYS PRO VAL          
SEQRES   2 F  157  ALA HIS VAL VAL ALA ASN PRO GLN ALA GLU GLY GLN LEU          
SEQRES   3 F  157  GLN TRP LEU ASN ARG ARG ALA ASN ALA LEU LEU ALA ASN          
SEQRES   4 F  157  GLY VAL GLU LEU ARG ASP ASN GLN LEU VAL VAL PRO SER          
SEQRES   5 F  157  GLU GLY LEU TYR LEU ILE TYR SER GLN VAL LEU PHE LYS          
SEQRES   6 F  157  GLY GLN GLY CYS PRO SER THR HIS VAL LEU LEU THR HIS          
SEQRES   7 F  157  THR ILE SER ARG ILE ALA VAL SER TYR GLN THR LYS VAL          
SEQRES   8 F  157  ASN LEU LEU SER ALA ILE LYS SER PRO CYS GLN ARG GLU          
SEQRES   9 F  157  THR PRO GLU GLY ALA GLU ALA LYS PRO TRP TYR GLU PRO          
SEQRES  10 F  157  ILE TYR LEU GLY GLY VAL PHE GLN LEU GLU LYS GLY ASP          
SEQRES  11 F  157  ARG LEU SER ALA GLU ILE ASN ARG PRO ASP TYR LEU ASP          
SEQRES  12 F  157  PHE ALA GLU SER GLY GLN VAL TYR PHE GLY ILE ILE ALA          
SEQRES  13 F  157  LEU                                                          
SEQRES   1 G  157  VAL ARG SER SER SER ARG THR PRO SER ASP LYS PRO VAL          
SEQRES   2 G  157  ALA HIS VAL VAL ALA ASN PRO GLN ALA GLU GLY GLN LEU          
SEQRES   3 G  157  GLN TRP LEU ASN ARG ARG ALA ASN ALA LEU LEU ALA ASN          
SEQRES   4 G  157  GLY VAL GLU LEU ARG ASP ASN GLN LEU VAL VAL PRO SER          
SEQRES   5 G  157  GLU GLY LEU TYR LEU ILE TYR SER GLN VAL LEU PHE LYS          
SEQRES   6 G  157  GLY GLN GLY CYS PRO SER THR HIS VAL LEU LEU THR HIS          
SEQRES   7 G  157  THR ILE SER ARG ILE ALA VAL SER TYR GLN THR LYS VAL          
SEQRES   8 G  157  ASN LEU LEU SER ALA ILE LYS SER PRO CYS GLN ARG GLU          
SEQRES   9 G  157  THR PRO GLU GLY ALA GLU ALA LYS PRO TRP TYR GLU PRO          
SEQRES  10 G  157  ILE TYR LEU GLY GLY VAL PHE GLN LEU GLU LYS GLY ASP          
SEQRES  11 G  157  ARG LEU SER ALA GLU ILE ASN ARG PRO ASP TYR LEU ASP          
SEQRES  12 G  157  PHE ALA GLU SER GLY GLN VAL TYR PHE GLY ILE ILE ALA          
SEQRES  13 G  157  LEU                                                          
HELIX    1 AA1 VAL A   28  TYR A   32  5                                   5    
HELIX    2 AA2 ARG A   87  THR A   91  5                                   5    
HELIX    3 AA3 SER A  161  ALA A  163  5                                   3    
HELIX    4 AA4 GLN B   79  PHE B   83  5                                   5    
HELIX    5 AA5 SER B  121  GLY B  128  1                                   8    
HELIX    6 AA6 ALA B  184  TYR B  186  5                                   3    
HELIX    7 AA7 VAL C   28  TYR C   32  5                                   5    
HELIX    8 AA8 ARG C   87  THR C   91  5                                   5    
HELIX    9 AA9 GLU D  123  SER D  127  5                                   5    
HELIX   10 AB1 SER D  182  TYR D  186  5                                   5    
HELIX   11 AB2 VAL H   28  TYR H   32  5                                   5    
HELIX   12 AB3 ASP H   62  LYS H   65  5                                   4    
HELIX   13 AB4 ARG H   87  THR H   91  5                                   5    
HELIX   14 AB5 LYS H  206  ASN H  209  5                                   4    
HELIX   15 AB6 GLN L   79  PHE L   83  5                                   5    
HELIX   16 AB7 SER L  121  LYS L  126  1                                   6    
HELIX   17 AB8 LYS L  183  HIS L  189  1                                   7    
HELIX   18 AB9 ARG E  138  LEU E  142  5                                   5    
HELIX   19 AC1 ARG F  138  LEU F  142  5                                   5    
HELIX   20 AC2 ARG G  138  LEU G  142  5                                   5    
SHEET    1 AA1 4 GLN A   3  SER A   7  0                                        
SHEET    2 AA1 4 GLY A  16  SER A  25 -1  O  ALA A  23   N  VAL A   5           
SHEET    3 AA1 4 THR A  78  LEU A  86 -1  O  MET A  83   N  LEU A  18           
SHEET    4 AA1 4 PHE A  68  ASP A  73 -1  N  SER A  71   O  TYR A  80           
SHEET    1 AA2 6 GLY A  10  VAL A  12  0                                        
SHEET    2 AA2 6 THR A 112  VAL A 116  1  O  THR A 115   N  VAL A  12           
SHEET    3 AA2 6 ALA A  92  GLY A  99 -1  N  ALA A  92   O  VAL A 114           
SHEET    4 AA2 6 GLY A  33  GLN A  39 -1  N  VAL A  37   O  TYR A  95           
SHEET    5 AA2 6 LEU A  45  ILE A  51 -1  O  GLY A  49   N  TRP A  36           
SHEET    6 AA2 6 PRO A  58  TYR A  60 -1  O  ILE A  59   N  TRP A  50           
SHEET    1 AA3 4 GLY A  10  VAL A  12  0                                        
SHEET    2 AA3 4 THR A 112  VAL A 116  1  O  THR A 115   N  VAL A  12           
SHEET    3 AA3 4 ALA A  92  GLY A  99 -1  N  ALA A  92   O  VAL A 114           
SHEET    4 AA3 4 TYR A 107  TRP A 108 -1  O  TYR A 107   N  ARG A  98           
SHEET    1 AA4 4 PHE A 127  LEU A 129  0                                        
SHEET    2 AA4 4 ALA A 141  TYR A 150 -1  O  GLY A 144   N  LEU A 129           
SHEET    3 AA4 4 TYR A 181  VAL A 189 -1  O  VAL A 189   N  ALA A 141           
SHEET    4 AA4 4 HIS A 169  THR A 170 -1  N  HIS A 169   O  VAL A 186           
SHEET    1 AA5 4 PHE A 127  LEU A 129  0                                        
SHEET    2 AA5 4 ALA A 141  TYR A 150 -1  O  GLY A 144   N  LEU A 129           
SHEET    3 AA5 4 TYR A 181  VAL A 189 -1  O  VAL A 189   N  ALA A 141           
SHEET    4 AA5 4 VAL A 174  LEU A 175 -1  N  VAL A 174   O  SER A 182           
SHEET    1 AA6 3 THR A 156  TRP A 159  0                                        
SHEET    2 AA6 3 ILE A 200  ASN A 204 -1  O  ASN A 202   N  SER A 158           
SHEET    3 AA6 3 LYS A 211  LYS A 215 -1  O  VAL A 212   N  VAL A 203           
SHEET    1 AA7 4 MET B   4  SER B   7  0                                        
SHEET    2 AA7 4 VAL B  19  ALA B  25 -1  O  THR B  22   N  SER B   7           
SHEET    3 AA7 4 ASP B  70  ILE B  75 -1  O  PHE B  71   N  CYS B  23           
SHEET    4 AA7 4 PHE B  62  GLY B  66 -1  N  SER B  63   O  THR B  74           
SHEET    1 AA8 6 SER B  10  SER B  14  0                                        
SHEET    2 AA8 6 THR B 102  LYS B 107  1  O  LYS B 107   N  ALA B  13           
SHEET    3 AA8 6 ALA B  84  GLN B  90 -1  N  ALA B  84   O  VAL B 104           
SHEET    4 AA8 6 VAL B  33  GLN B  38 -1  N  GLN B  38   O  THR B  85           
SHEET    5 AA8 6 LYS B  45  TYR B  49 -1  O  LYS B  45   N  GLN B  37           
SHEET    6 AA8 6 PHE B  53  LEU B  54 -1  O  PHE B  53   N  TYR B  49           
SHEET    1 AA9 4 SER B  10  SER B  14  0                                        
SHEET    2 AA9 4 THR B 102  LYS B 107  1  O  LYS B 107   N  ALA B  13           
SHEET    3 AA9 4 ALA B  84  GLN B  90 -1  N  ALA B  84   O  VAL B 104           
SHEET    4 AA9 4 THR B  97  PHE B  98 -1  O  THR B  97   N  GLN B  90           
SHEET    1 AB1 4 SER B 114  PHE B 118  0                                        
SHEET    2 AB1 4 THR B 129  PHE B 139 -1  O  LEU B 135   N  PHE B 116           
SHEET    3 AB1 4 TYR B 173  SER B 182 -1  O  LEU B 179   N  VAL B 132           
SHEET    4 AB1 4 SER B 159  VAL B 163 -1  N  SER B 162   O  SER B 176           
SHEET    1 AB2 4 ALA B 153  LEU B 154  0                                        
SHEET    2 AB2 4 LYS B 145  VAL B 150 -1  N  VAL B 150   O  ALA B 153           
SHEET    3 AB2 4 TYR B 192  THR B 197 -1  O  GLU B 195   N  GLN B 147           
SHEET    4 AB2 4 VAL B 205  PHE B 209 -1  O  VAL B 205   N  VAL B 196           
SHEET    1 AB3 4 VAL C   5  SER C   7  0                                        
SHEET    2 AB3 4 SER C  17  ALA C  23 -1  O  ALA C  23   N  VAL C   5           
SHEET    3 AB3 4 THR C  78  ASN C  84 -1  O  MET C  83   N  LEU C  18           
SHEET    4 AB3 4 PHE C  68  ASP C  73 -1  N  SER C  71   O  TYR C  80           
SHEET    1 AB4 6 GLY C  10  VAL C  12  0                                        
SHEET    2 AB4 6 THR C 112  VAL C 116  1  O  THR C 115   N  GLY C  10           
SHEET    3 AB4 6 ALA C  92  GLY C  99 -1  N  TYR C  94   O  THR C 112           
SHEET    4 AB4 6 GLY C  33  GLN C  39 -1  N  GLN C  39   O  VAL C  93           
SHEET    5 AB4 6 LEU C  45  ILE C  51 -1  O  GLU C  46   N  ARG C  38           
SHEET    6 AB4 6 PRO C  58  TYR C  60 -1  O  ILE C  59   N  TRP C  50           
SHEET    1 AB5 4 GLY C  10  VAL C  12  0                                        
SHEET    2 AB5 4 THR C 112  VAL C 116  1  O  THR C 115   N  GLY C  10           
SHEET    3 AB5 4 ALA C  92  GLY C  99 -1  N  TYR C  94   O  THR C 112           
SHEET    4 AB5 4 MET C 105  TRP C 108 -1  O  TYR C 107   N  ARG C  98           
SHEET    1 AB6 4 SER C 125  LEU C 129  0                                        
SHEET    2 AB6 4 LEU C 143  TYR C 150 -1  O  GLY C 144   N  LEU C 129           
SHEET    3 AB6 4 TYR C 181  VAL C 187 -1  O  VAL C 187   N  LEU C 143           
SHEET    4 AB6 4 VAL C 168  THR C 170 -1  N  HIS C 169   O  VAL C 186           
SHEET    1 AB7 4 SER C 125  LEU C 129  0                                        
SHEET    2 AB7 4 LEU C 143  TYR C 150 -1  O  GLY C 144   N  LEU C 129           
SHEET    3 AB7 4 TYR C 181  VAL C 187 -1  O  VAL C 187   N  LEU C 143           
SHEET    4 AB7 4 VAL C 174  LEU C 175 -1  N  VAL C 174   O  SER C 182           
SHEET    1 AB8 3 THR C 156  TRP C 159  0                                        
SHEET    2 AB8 3 CYS C 201  ASN C 204 -1  O  ASN C 202   N  SER C 158           
SHEET    3 AB8 3 LYS C 211  ASP C 213 -1  O  VAL C 212   N  VAL C 203           
SHEET    1 AB9 4 MET D   4  SER D   7  0                                        
SHEET    2 AB9 4 VAL D  19  ALA D  25 -1  O  LYS D  24   N  THR D   5           
SHEET    3 AB9 4 ASP D  70  ILE D  75 -1  O  ILE D  75   N  VAL D  19           
SHEET    4 AB9 4 PHE D  62  SER D  67 -1  N  SER D  65   O  THR D  72           
SHEET    1 AC1 6 SER D  10  SER D  14  0                                        
SHEET    2 AC1 6 LYS D 103  LYS D 107  1  O  GLU D 105   N  LEU D  11           
SHEET    3 AC1 6 ALA D  84  GLN D  90 -1  N  ALA D  84   O  VAL D 104           
SHEET    4 AC1 6 VAL D  33  GLN D  38 -1  N  TYR D  36   O  TYR D  87           
SHEET    5 AC1 6 LYS D  45  TYR D  49 -1  O  ILE D  48   N  TRP D  35           
SHEET    6 AC1 6 PHE D  53  LEU D  54 -1  O  PHE D  53   N  TYR D  49           
SHEET    1 AC2 4 SER D  10  SER D  14  0                                        
SHEET    2 AC2 4 LYS D 103  LYS D 107  1  O  GLU D 105   N  LEU D  11           
SHEET    3 AC2 4 ALA D  84  GLN D  90 -1  N  ALA D  84   O  VAL D 104           
SHEET    4 AC2 4 THR D  97  PHE D  98 -1  O  THR D  97   N  GLN D  90           
SHEET    1 AC3 4 SER D 114  VAL D 115  0                                        
SHEET    2 AC3 4 ALA D 130  PHE D 139 -1  O  ASN D 137   N  SER D 114           
SHEET    3 AC3 4 TYR D 173  LEU D 181 -1  O  LEU D 175   N  LEU D 136           
SHEET    4 AC3 4 SER D 159  VAL D 163 -1  N  GLN D 160   O  THR D 178           
SHEET    1 AC4 2 CYS D 194  VAL D 196  0                                        
SHEET    2 AC4 2 VAL D 205  LYS D 207 -1  O  VAL D 205   N  VAL D 196           
SHEET    1 AC5 4 GLN H   3  SER H   7  0                                        
SHEET    2 AC5 4 LEU H  18  SER H  25 -1  O  ALA H  23   N  VAL H   5           
SHEET    3 AC5 4 THR H  78  MET H  83 -1  O  LEU H  81   N  LEU H  20           
SHEET    4 AC5 4 PHE H  68  ASP H  73 -1  N  THR H  69   O  GLN H  82           
SHEET    1 AC6 6 GLY H  10  VAL H  12  0                                        
SHEET    2 AC6 6 THR H 112  VAL H 116  1  O  THR H 115   N  VAL H  12           
SHEET    3 AC6 6 ALA H  92  GLY H  99 -1  N  ALA H  92   O  VAL H 114           
SHEET    4 AC6 6 GLY H  33  GLN H  39 -1  N  VAL H  37   O  TYR H  95           
SHEET    5 AC6 6 LEU H  45  ILE H  51 -1  O  ILE H  51   N  MET H  34           
SHEET    6 AC6 6 PRO H  58  TYR H  60 -1  O  ILE H  59   N  TRP H  50           
SHEET    1 AC7 4 GLY H  10  VAL H  12  0                                        
SHEET    2 AC7 4 THR H 112  VAL H 116  1  O  THR H 115   N  VAL H  12           
SHEET    3 AC7 4 ALA H  92  GLY H  99 -1  N  ALA H  92   O  VAL H 114           
SHEET    4 AC7 4 MET H 105  TRP H 108 -1  O  TYR H 107   N  ARG H  98           
SHEET    1 AC8 4 SER H 125  LEU H 129  0                                        
SHEET    2 AC8 4 ALA H 141  TYR H 150 -1  O  GLY H 144   N  LEU H 129           
SHEET    3 AC8 4 TYR H 181  VAL H 189 -1  O  VAL H 189   N  ALA H 141           
SHEET    4 AC8 4 VAL H 168  THR H 170 -1  N  HIS H 169   O  VAL H 186           
SHEET    1 AC9 4 SER H 125  LEU H 129  0                                        
SHEET    2 AC9 4 ALA H 141  TYR H 150 -1  O  GLY H 144   N  LEU H 129           
SHEET    3 AC9 4 TYR H 181  VAL H 189 -1  O  VAL H 189   N  ALA H 141           
SHEET    4 AC9 4 VAL H 174  LEU H 175 -1  N  VAL H 174   O  SER H 182           
SHEET    1 AD1 3 THR H 156  TRP H 159  0                                        
SHEET    2 AD1 3 ILE H 200  HIS H 205 -1  O  ASN H 202   N  SER H 158           
SHEET    3 AD1 3 THR H 210  LYS H 215 -1  O  VAL H 212   N  VAL H 203           
SHEET    1 AD2 4 THR L   5  SER L   7  0                                        
SHEET    2 AD2 4 VAL L  19  LYS L  24 -1  O  LYS L  24   N  THR L   5           
SHEET    3 AD2 4 ASP L  70  ILE L  75 -1  O  PHE L  71   N  CYS L  23           
SHEET    4 AD2 4 PHE L  62  SER L  67 -1  N  SER L  63   O  THR L  74           
SHEET    1 AD3 6 SER L  10  SER L  14  0                                        
SHEET    2 AD3 6 LYS L 103  LYS L 107  1  O  GLU L 105   N  LEU L  11           
SHEET    3 AD3 6 ALA L  84  GLN L  90 -1  N  ALA L  84   O  VAL L 104           
SHEET    4 AD3 6 VAL L  33  GLN L  38 -1  N  GLN L  38   O  THR L  85           
SHEET    5 AD3 6 LYS L  45  TYR L  49 -1  O  ILE L  48   N  TRP L  35           
SHEET    6 AD3 6 PHE L  53  LEU L  54 -1  O  PHE L  53   N  TYR L  49           
SHEET    1 AD4 4 SER L  10  SER L  14  0                                        
SHEET    2 AD4 4 LYS L 103  LYS L 107  1  O  GLU L 105   N  LEU L  11           
SHEET    3 AD4 4 ALA L  84  GLN L  90 -1  N  ALA L  84   O  VAL L 104           
SHEET    4 AD4 4 THR L  97  PHE L  98 -1  O  THR L  97   N  GLN L  90           
SHEET    1 AD5 4 SER L 114  PHE L 118  0                                        
SHEET    2 AD5 4 THR L 129  PHE L 139 -1  O  LEU L 135   N  PHE L 116           
SHEET    3 AD5 4 TYR L 173  SER L 182 -1  O  LEU L 181   N  ALA L 130           
SHEET    4 AD5 4 SER L 159  VAL L 163 -1  N  GLN L 160   O  THR L 178           
SHEET    1 AD6 4 ALA L 153  LEU L 154  0                                        
SHEET    2 AD6 4 LYS L 145  VAL L 150 -1  N  VAL L 150   O  ALA L 153           
SHEET    3 AD6 4 VAL L 191  THR L 197 -1  O  GLU L 195   N  GLN L 147           
SHEET    4 AD6 4 VAL L 205  ASN L 210 -1  O  LYS L 207   N  CYS L 194           
SHEET    1 AD7 5 LEU E  36  LEU E  37  0                                        
SHEET    2 AD7 5 VAL E  13  VAL E  17 -1  N  HIS E  15   O  LEU E  36           
SHEET    3 AD7 5 TYR E 151  ALA E 156 -1  O  ILE E 154   N  ALA E  14           
SHEET    4 AD7 5 GLY E  54  GLY E  66 -1  N  TYR E  59   O  GLY E 153           
SHEET    5 AD7 5 TRP E 114  LEU E 126 -1  O  LEU E 120   N  SER E  60           
SHEET    1 AD8 5 GLU E  42  ARG E  44  0                                        
SHEET    2 AD8 5 GLN E  47  VAL E  49 -1  O  GLN E  47   N  ARG E  44           
SHEET    3 AD8 5 ARG E 131  ILE E 136 -1  O  LEU E 132   N  LEU E  48           
SHEET    4 AD8 5 LEU E  76  ILE E  83 -1  N  THR E  79   O  GLU E 135           
SHEET    5 AD8 5 LYS E  90  LYS E  98 -1  O  LEU E  94   N  ILE E  80           
SHEET    1 AD9 3 TRP F  28  LEU F  29  0                                        
SHEET    2 AD9 3 VAL F  13  ALA F  18 -1  N  VAL F  17   O  LEU F  29           
SHEET    3 AD9 3 LEU F  36  ALA F  38 -1  O  LEU F  36   N  HIS F  15           
SHEET    1 AE1 5 TRP F  28  LEU F  29  0                                        
SHEET    2 AE1 5 VAL F  13  ALA F  18 -1  N  VAL F  17   O  LEU F  29           
SHEET    3 AE1 5 TYR F 151  ALA F 156 -1  O  PHE F 152   N  VAL F  16           
SHEET    4 AE1 5 GLY F  54  GLY F  66 -1  N  TYR F  59   O  GLY F 153           
SHEET    5 AE1 5 TRP F 114  LEU F 126 -1  O  GLU F 116   N  PHE F  64           
SHEET    1 AE2 5 GLU F  42  ARG F  44  0                                        
SHEET    2 AE2 5 GLN F  47  VAL F  49 -1  O  VAL F  49   N  GLU F  42           
SHEET    3 AE2 5 ARG F 131  ILE F 136 -1  O  LEU F 132   N  LEU F  48           
SHEET    4 AE2 5 LEU F  76  ALA F  84 -1  N  THR F  79   O  GLU F 135           
SHEET    5 AE2 5 THR F  89  LYS F  98 -1  O  LEU F  94   N  ILE F  80           
SHEET    1 AE3 3 TRP G  28  LEU G  29  0                                        
SHEET    2 AE3 3 VAL G  13  ALA G  18 -1  N  VAL G  17   O  LEU G  29           
SHEET    3 AE3 3 LEU G  36  ALA G  38 -1  O  LEU G  36   N  HIS G  15           
SHEET    1 AE4 5 TRP G  28  LEU G  29  0                                        
SHEET    2 AE4 5 VAL G  13  ALA G  18 -1  N  VAL G  17   O  LEU G  29           
SHEET    3 AE4 5 TYR G 151  ALA G 156 -1  O  PHE G 152   N  VAL G  16           
SHEET    4 AE4 5 GLY G  54  GLY G  66 -1  N  TYR G  59   O  GLY G 153           
SHEET    5 AE4 5 TRP G 114  LEU G 126 -1  O  GLY G 122   N  ILE G  58           
SHEET    1 AE5 5 GLU G  42  ARG G  44  0                                        
SHEET    2 AE5 5 GLN G  47  VAL G  49 -1  O  GLN G  47   N  ARG G  44           
SHEET    3 AE5 5 ARG G 131  ILE G 136 -1  O  LEU G 132   N  LEU G  48           
SHEET    4 AE5 5 LEU G  76  ILE G  83 -1  N  ILE G  83   O  ARG G 131           
SHEET    5 AE5 5 LYS G  90  LYS G  98 -1  O  LYS G  98   N  LEU G  76           
SSBOND   1 CYS A   22    CYS A   96                          1555   1555  2.04  
SSBOND   2 CYS A  145    CYS A  201                          1555   1555  2.05  
SSBOND   3 CYS B   23    CYS B   88                          1555   1555  2.05  
SSBOND   4 CYS B  134    CYS B  194                          1555   1555  2.03  
SSBOND   5 CYS C   22    CYS C   96                          1555   1555  2.04  
SSBOND   6 CYS C  145    CYS C  201                          1555   1555  2.04  
SSBOND   7 CYS D   23    CYS D   88                          1555   1555  2.05  
SSBOND   8 CYS D  134    CYS D  194                          1555   1555  2.04  
SSBOND   9 CYS H   22    CYS H   96                          1555   1555  2.04  
SSBOND  10 CYS H  145    CYS H  201                          1555   1555  2.02  
SSBOND  11 CYS L   23    CYS L   88                          1555   1555  2.06  
SSBOND  12 CYS L  134    CYS L  194                          1555   1555  2.02  
SSBOND  13 CYS E   69    CYS E  101                          1555   1555  2.03  
SSBOND  14 CYS F   69    CYS F  101                          1555   1555  2.04  
SSBOND  15 CYS G   69    CYS G  101                          1555   1555  2.03  
CISPEP   1 PHE A  151    PRO A  152          0       -10.17                     
CISPEP   2 GLU A  153    PRO A  154          0        -2.65                     
CISPEP   3 SER B    7    PRO B    8          0        -1.87                     
CISPEP   4 TYR B   94    PRO B   95          0        -4.60                     
CISPEP   5 TYR B  140    PRO B  141          0         2.47                     
CISPEP   6 PHE C  151    PRO C  152          0         0.32                     
CISPEP   7 GLU C  153    PRO C  154          0        -1.86                     
CISPEP   8 SER D    7    PRO D    8          0        -8.32                     
CISPEP   9 TYR D   94    PRO D   95          0        -0.96                     
CISPEP  10 TYR D  140    PRO D  141          0         9.46                     
CISPEP  11 PHE H  151    PRO H  152          0        -5.41                     
CISPEP  12 GLU H  153    PRO H  154          0        -2.81                     
CISPEP  13 SER L    7    PRO L    8          0       -14.69                     
CISPEP  14 TYR L   94    PRO L   95          0         2.25                     
CISPEP  15 TYR L  140    PRO L  141          0         0.91                     
CRYST1  148.592  207.219  112.631  90.00 118.81  90.00 C 1 2 1      12          
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      0.006730  0.000000  0.003702        0.00000                         
SCALE2      0.000000  0.004826  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010133        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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