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Database: PDB
Entry: 4ZBF
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HEADER    APOPTOSIS/APOPTOSIS INHIBITOR           14-APR-15   4ZBF              
TITLE     MCL-1 COMPLEXED WITH SMALL MOLECULES                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL- 
COMPND   3 1;                                                                   
COMPND   4 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L;                           
COMPND   5 FRAGMENT: UNP RESIDUES 172-327;                                      
COMPND   6 SYNONYM: BCL-2-LIKE PROTEIN 3,BCL2-L-3,BCL-2-RELATED PROTEIN         
COMPND   7 EAT/MCL1,MCL1/EAT;                                                   
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: MCL1, BCL2L3;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    INHIBITOR, COMPLEX, APOPTOSIS-APOPTOSIS INHIBITOR COMPLEX             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.ZHAO                                                                
REVDAT   4   04-DEC-19 4ZBF    1       REMARK                                   
REVDAT   3   20-SEP-17 4ZBF    1       SOURCE KEYWDS JRNL   REMARK              
REVDAT   2   27-MAY-15 4ZBF    1       JRNL                                     
REVDAT   1   29-APR-15 4ZBF    0                                                
JRNL        AUTH   J.P.BURKE,Z.BIAN,S.SHAW,B.ZHAO,C.M.GOODWIN,J.BELMAR,         
JRNL        AUTH 2 C.F.BROWNING,D.VIGIL,A.FRIBERG,D.V.CAMPER,O.W.ROSSANESE,     
JRNL        AUTH 3 T.LEE,E.T.OLEJNICZAK,S.W.FESIK                               
JRNL        TITL   DISCOVERY OF TRICYCLIC INDOLES THAT POTENTLY INHIBIT MCL-1   
JRNL        TITL 2 USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN.     
JRNL        REF    J.MED.CHEM.                   V.  58  3794 2015              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   25844895                                                     
JRNL        DOI    10.1021/JM501984F                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX DEV_1951                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.410                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 107925                         
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.184                           
REMARK   3   R VALUE            (WORKING SET) : 0.183                           
REMARK   3   FREE R VALUE                     : 0.232                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 1.870                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2017                            
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 30.0004 -  5.2933    0.99     7853   149  0.1423 0.1731        
REMARK   3     2  5.2933 -  4.2052    1.00     7824   151  0.1429 0.1976        
REMARK   3     3  4.2052 -  3.6747    0.99     7814   146  0.1576 0.2020        
REMARK   3     4  3.6747 -  3.3392    0.99     7789   153  0.1950 0.2457        
REMARK   3     5  3.3392 -  3.1001    0.99     7707   141  0.2005 0.2515        
REMARK   3     6  3.1001 -  2.9175    0.98     7683   151  0.2164 0.2781        
REMARK   3     7  2.9175 -  2.7715    0.97     7638   141  0.2152 0.2645        
REMARK   3     8  2.7715 -  2.6509    0.96     7501   140  0.2123 0.2510        
REMARK   3     9  2.6509 -  2.5489    0.96     7544   134  0.2124 0.2980        
REMARK   3    10  2.5489 -  2.4610    0.95     7443   143  0.2225 0.2812        
REMARK   3    11  2.4610 -  2.3841    0.94     7328   139  0.2246 0.2770        
REMARK   3    12  2.3841 -  2.3160    0.94     7356   140  0.2369 0.2926        
REMARK   3    13  2.3160 -  2.2550    0.93     7253   136  0.2572 0.3029        
REMARK   3    14  2.2550 -  2.2000    0.92     7175   153  0.2819 0.3370        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
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)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.970           
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      :  0.009          15127                                  
REMARK   3   ANGLE     :  1.333          20375                                  
REMARK   3   CHIRALITY :  0.066           2217                                  
REMARK   3   PLANARITY :  0.008           2566                                  
REMARK   3   DIHEDRAL  : 17.564           5637                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 83                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -26.3977  11.1773  -9.0341              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3529 T22:   0.3302                                     
REMARK   3      T33:   0.2891 T12:   0.0147                                     
REMARK   3      T13:   0.0035 T23:  -0.0558                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5195 L22:   2.0377                                     
REMARK   3      L33:   1.7011 L12:   1.0964                                     
REMARK   3      L13:   0.7726 L23:   1.0114                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1013 S12:  -0.0237 S13:  -0.1282                       
REMARK   3      S21:   0.1141 S22:   0.2459 S23:  -0.3064                       
REMARK   3      S31:  -0.1282 S32:   0.1619 S33:  -0.0353                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 191 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -21.6406  16.8818 -13.8620              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3827 T22:   0.4245                                     
REMARK   3      T33:   0.4335 T12:  -0.0427                                     
REMARK   3      T13:   0.0462 T23:  -0.0713                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8857 L22:   1.8883                                     
REMARK   3      L33:   1.7989 L12:  -0.4103                                     
REMARK   3      L13:  -0.2457 L23:   0.8929                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0292 S12:   0.0506 S13:   0.1692                       
REMARK   3      S21:  -0.0521 S22:   0.0981 S23:  -0.5570                       
REMARK   3      S31:  -0.1536 S32:   0.3292 S33:  -0.0361                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.4212  28.4414   5.5430              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5139 T22:   0.5452                                     
REMARK   3      T33:   0.3815 T12:  -0.1161                                     
REMARK   3      T13:   0.0324 T23:  -0.1442                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7596 L22:   4.8337                                     
REMARK   3      L33:   6.0255 L12:   0.7724                                     
REMARK   3      L13:  -1.5793 L23:  -2.1593                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0887 S12:  -0.4458 S13:   0.5154                       
REMARK   3      S21:   0.7391 S22:   0.2731 S23:  -0.4769                       
REMARK   3      S31:  -0.6905 S32:   0.1141 S33:   0.0129                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 236 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -29.7364  16.8190   8.2168              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5865 T22:   0.4423                                     
REMARK   3      T33:   0.3411 T12:   0.0446                                     
REMARK   3      T13:  -0.0696 T23:  -0.0700                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0508 L22:   1.8554                                     
REMARK   3      L33:   1.7595 L12:  -0.4822                                     
REMARK   3      L13:   0.9204 L23:  -0.3769                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1274 S12:  -0.4468 S13:   0.0871                       
REMARK   3      S21:   0.0864 S22:  -0.1285 S23:  -0.2299                       
REMARK   3      S31:   0.3739 S32:   0.0630 S33:  -0.0326                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 255 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -27.1661  17.9313  -0.9810              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3841 T22:   0.3425                                     
REMARK   3      T33:   0.3008 T12:   0.0110                                     
REMARK   3      T13:   0.0018 T23:  -0.0991                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0593 L22:   2.1330                                     
REMARK   3      L33:   2.7957 L12:   0.8811                                     
REMARK   3      L13:   0.4354 L23:  -0.1228                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0073 S12:  -0.1923 S13:  -0.0627                       
REMARK   3      S21:   0.2763 S22:   0.0971 S23:  -0.1084                       
REMARK   3      S31:  -0.1207 S32:   0.2166 S33:  -0.0057                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 302 THROUGH 323 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -35.4784  20.3784 -16.5885              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4301 T22:   0.3196                                     
REMARK   3      T33:   0.3196 T12:   0.0340                                     
REMARK   3      T13:   0.0093 T23:  -0.0384                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0204 L22:   2.7287                                     
REMARK   3      L33:   1.5720 L12:   0.3717                                     
REMARK   3      L13:  -0.1751 L23:  -0.2374                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1041 S12:   0.4656 S13:   0.1260                       
REMARK   3      S21:  -0.4703 S22:   0.1344 S23:  -0.0541                       
REMARK   3      S31:  -0.2742 S32:  -0.1391 S33:  -0.0254                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -21.5593  -3.5142 -38.3569              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3311 T22:   0.4017                                     
REMARK   3      T33:   0.2955 T12:  -0.0221                                     
REMARK   3      T13:   0.0056 T23:  -0.0968                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5143 L22:   2.8122                                     
REMARK   3      L33:   2.0921 L12:  -0.2801                                     
REMARK   3      L13:   0.2164 L23:  -1.1190                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2032 S12:   0.2596 S13:  -0.2268                       
REMARK   3      S21:  -0.3339 S22:  -0.3895 S23:   0.1570                       
REMARK   3      S31:   0.1068 S32:  -0.0485 S33:  -0.0572                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 191 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -29.7781  -7.2597 -40.9442              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7959 T22:   0.6603                                     
REMARK   3      T33:   0.5976 T12:  -0.0092                                     
REMARK   3      T13:  -0.1745 T23:  -0.0795                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1756 L22:   0.5225                                     
REMARK   3      L33:   1.3777 L12:   0.3081                                     
REMARK   3      L13:  -0.4284 L23:  -0.6075                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3516 S12:   0.0036 S13:   0.1719                       
REMARK   3      S21:   0.2406 S22:  -0.0242 S23:   0.3434                       
REMARK   3      S31:   0.2902 S32:   0.0733 S33:  -0.0788                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 203 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -28.7062   5.4311 -34.8719              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3494 T22:   0.4985                                     
REMARK   3      T33:   0.3630 T12:   0.0079                                     
REMARK   3      T13:  -0.0179 T23:  -0.1102                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2267 L22:   3.9722                                     
REMARK   3      L33:   2.2161 L12:   0.6027                                     
REMARK   3      L13:  -0.1759 L23:  -0.4378                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1926 S12:   0.0066 S13:   0.2713                       
REMARK   3      S21:  -0.1226 S22:   0.3160 S23:   0.5755                       
REMARK   3      S31:  -0.3789 S32:  -0.6368 S33:  -0.0763                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -14.5294  17.4090 -44.4096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5932 T22:   0.3923                                     
REMARK   3      T33:   0.4540 T12:  -0.0091                                     
REMARK   3      T13:   0.0145 T23:  -0.0045                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8185 L22:   4.0459                                     
REMARK   3      L33:   1.8332 L12:  -2.2594                                     
REMARK   3      L13:  -2.6664 L23:   1.9878                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4147 S12:   0.3658 S13:   0.7110                       
REMARK   3      S21:  -0.4114 S22:  -0.3121 S23:   0.0773                       
REMARK   3      S31:  -0.9488 S32:   0.0565 S33:  -0.0584                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 236 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.2579   6.2426 -44.9448              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4563 T22:   0.3956                                     
REMARK   3      T33:   0.3940 T12:  -0.0975                                     
REMARK   3      T13:   0.1166 T23:  -0.0313                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3374 L22:   1.3040                                     
REMARK   3      L33:   4.4270 L12:  -0.1730                                     
REMARK   3      L13:   0.0591 L23:   0.3900                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0773 S12:   0.2606 S13:  -0.0014                       
REMARK   3      S21:  -0.3362 S22:  -0.0744 S23:  -0.3419                       
REMARK   3      S31:  -0.2079 S32:   0.3750 S33:  -0.0280                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 255 THROUGH 308 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.4618   4.2114 -38.3094              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3475 T22:   0.3323                                     
REMARK   3      T33:   0.2908 T12:  -0.0529                                     
REMARK   3      T13:   0.0305 T23:  -0.0615                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0043 L22:   1.8736                                     
REMARK   3      L33:   3.3359 L12:  -0.4674                                     
REMARK   3      L13:  -0.6420 L23:  -0.5592                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0798 S12:   0.1761 S13:   0.0978                       
REMARK   3      S21:  -0.3128 S22:  -0.0387 S23:  -0.1653                       
REMARK   3      S31:  -0.1950 S32:   0.2216 S33:  -0.0040                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 309 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.6767   2.4754 -24.7490              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2915 T22:   0.4161                                     
REMARK   3      T33:   0.3226 T12:  -0.0149                                     
REMARK   3      T13:   0.0217 T23:  -0.0930                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8015 L22:   2.7527                                     
REMARK   3      L33:   1.1713 L12:  -1.3430                                     
REMARK   3      L13:  -0.0194 L23:   0.6906                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1247 S12:  -0.8662 S13:   0.0814                       
REMARK   3      S21:   0.2238 S22:  -0.0594 S23:   0.3234                       
REMARK   3      S31:   0.0887 S32:  -0.0267 S33:  -0.0091                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.8668  14.3056 -68.9731              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3753 T22:   0.3958                                     
REMARK   3      T33:   0.3686 T12:   0.1202                                     
REMARK   3      T13:  -0.0518 T23:  -0.0654                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3598 L22:   2.6865                                     
REMARK   3      L33:   2.7915 L12:   0.5168                                     
REMARK   3      L13:   0.6570 L23:   1.5583                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0716 S12:   0.0221 S13:   0.2096                       
REMARK   3      S21:  -0.0191 S22:  -0.1980 S23:   0.2515                       
REMARK   3      S31:  -0.2375 S32:  -0.6175 S33:   0.0927                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 191 THROUGH 203 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.9645  14.2795 -72.6039              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5379 T22:   0.9594                                     
REMARK   3      T33:   0.7982 T12:   0.2072                                     
REMARK   3      T13:  -0.0394 T23:  -0.0939                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0090 L22:   0.3234                                     
REMARK   3      L33:   0.0116 L12:   0.0470                                     
REMARK   3      L13:  -0.0129 L23:   0.0091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1936 S12:   0.1054 S13:   0.2632                       
REMARK   3      S21:  -0.1728 S22:  -0.1115 S23:   0.8245                       
REMARK   3      S31:  -0.5974 S32:  -0.0781 S33:   0.0436                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 204 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.4963   7.5562 -80.3489              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3811 T22:   0.4121                                     
REMARK   3      T33:   0.3428 T12:   0.0436                                     
REMARK   3      T13:  -0.0398 T23:  -0.0144                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0462 L22:   1.3415                                     
REMARK   3      L33:   2.1457 L12:   0.3660                                     
REMARK   3      L13:  -0.0837 L23:  -0.6168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1287 S12:   0.2745 S13:   0.0282                       
REMARK   3      S21:  -0.4656 S22:  -0.0590 S23:   0.0122                       
REMARK   3      S31:   0.0550 S32:  -0.4627 S33:  -0.0140                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 236 THROUGH 283 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   1.3068   2.6561 -71.3664              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3414 T22:   0.3272                                     
REMARK   3      T33:   0.3589 T12:   0.0090                                     
REMARK   3      T13:   0.0485 T23:  -0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9051 L22:   2.2441                                     
REMARK   3      L33:   2.1302 L12:  -0.5367                                     
REMARK   3      L13:   0.9680 L23:   0.6291                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0846 S12:  -0.0900 S13:  -0.1971                       
REMARK   3      S21:  -0.0067 S22:  -0.1415 S23:  -0.1533                       
REMARK   3      S31:   0.0765 S32:  -0.2308 S33:  -0.0067                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 284 THROUGH 308 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   1.3958  11.9038 -66.7459              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3829 T22:   0.3178                                     
REMARK   3      T33:   0.3478 T12:   0.0316                                     
REMARK   3      T13:  -0.0223 T23:  -0.0180                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0190 L22:   5.0716                                     
REMARK   3      L33:   1.8600 L12:   2.5912                                     
REMARK   3      L13:  -0.2674 L23:  -0.2663                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2404 S12:  -0.2836 S13:   0.1520                       
REMARK   3      S21:   0.4148 S22:  -0.2903 S23:   0.1145                       
REMARK   3      S31:  -0.3859 S32:  -0.2688 S33:  -0.0035                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 309 THROUGH 322 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   0.6169  23.0995 -79.7957              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7232 T22:   0.3312                                     
REMARK   3      T33:   0.4769 T12:   0.0006                                     
REMARK   3      T13:  -0.0965 T23:   0.0345                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9174 L22:   0.0850                                     
REMARK   3      L33:   3.3906 L12:  -0.2770                                     
REMARK   3      L13:   1.4439 L23:  -0.5321                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3131 S12:   0.0894 S13:   0.5196                       
REMARK   3      S21:  -0.1268 S22:   0.0519 S23:   0.2640                       
REMARK   3      S31:  -1.2903 S32:  -0.2048 S33:  -0.0093                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -40.9896 -19.6376 -58.7661              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3230 T22:   0.3318                                     
REMARK   3      T33:   0.5400 T12:  -0.0095                                     
REMARK   3      T13:  -0.1381 T23:  -0.0008                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1683 L22:   2.9729                                     
REMARK   3      L33:   1.0944 L12:   2.0126                                     
REMARK   3      L13:   0.0101 L23:  -0.0857                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3742 S12:  -0.6172 S13:  -0.5633                       
REMARK   3      S21:   0.4926 S22:  -0.2571 S23:  -0.6034                       
REMARK   3      S31:   0.2718 S32:   0.1184 S33:  -0.0296                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 192 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -31.9146 -19.9025 -62.1703              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4347 T22:   0.5745                                     
REMARK   3      T33:   0.8499 T12:   0.0741                                     
REMARK   3      T13:  -0.2019 T23:  -0.1230                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1592 L22:   1.6377                                     
REMARK   3      L33:   1.7867 L12:  -0.5471                                     
REMARK   3      L13:   0.4960 L23:  -0.0727                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3377 S12:  -0.2104 S13:  -0.3592                       
REMARK   3      S21:   0.7988 S22:   0.0688 S23:  -1.1861                       
REMARK   3      S31:   0.2600 S32:   0.5232 S33:   0.0684                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -37.1348   0.4833 -68.2802              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4664 T22:   0.4054                                     
REMARK   3      T33:   0.7307 T12:  -0.1108                                     
REMARK   3      T13:   0.0084 T23:   0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6344 L22:   4.1107                                     
REMARK   3      L33:   4.3876 L12:  -0.7950                                     
REMARK   3      L13:  -2.8182 L23:   0.8915                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2135 S12:   0.3963 S13:   0.5001                       
REMARK   3      S21:  -0.3918 S22:  -0.1117 S23:  -0.4131                       
REMARK   3      S31:  -0.8188 S32:   0.7297 S33:  -0.1221                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 236 THROUGH 280 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -43.8827  -6.8216 -65.1849              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2730 T22:   0.3218                                     
REMARK   3      T33:   0.4645 T12:  -0.0373                                     
REMARK   3      T13:   0.0098 T23:  -0.0388                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5165 L22:   2.0237                                     
REMARK   3      L33:   0.6132 L12:  -0.5864                                     
REMARK   3      L13:   0.4681 L23:  -0.7214                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0106 S12:  -0.0547 S13:   0.2936                       
REMARK   3      S21:  -0.0508 S22:   0.0902 S23:  -0.4083                       
REMARK   3      S31:  -0.3130 S32:  -0.0231 S33:   0.0139                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 281 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -45.6140 -10.7703 -58.2664              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3428 T22:   0.3470                                     
REMARK   3      T33:   0.4481 T12:   0.0091                                     
REMARK   3      T13:  -0.0418 T23:  -0.0485                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1429 L22:   4.4298                                     
REMARK   3      L33:   4.2691 L12:   2.0469                                     
REMARK   3      L13:   1.6198 L23:   2.9115                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2742 S12:  -0.6816 S13:   0.0479                       
REMARK   3      S21:   0.5939 S22:  -0.6105 S23:   0.0445                       
REMARK   3      S31:   0.3499 S32:  -0.6023 S33:  -0.0048                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 302 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -41.6371 -25.0175 -72.7307              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2542 T22:   0.4222                                     
REMARK   3      T33:   0.6034 T12:   0.0176                                     
REMARK   3      T13:  -0.0479 T23:  -0.1575                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9101 L22:   1.4789                                     
REMARK   3      L33:   1.9009 L12:   0.7953                                     
REMARK   3      L13:  -0.2384 L23:  -0.1673                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1503 S12:   0.4995 S13:  -0.7929                       
REMARK   3      S21:  -0.0198 S22:  -0.0925 S23:  -0.3671                       
REMARK   3      S31:   0.3386 S32:   0.1594 S33:   0.0073                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -53.8321   5.0754   2.1901              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4237 T22:   0.5524                                     
REMARK   3      T33:   0.3449 T12:  -0.0316                                     
REMARK   3      T13:   0.0705 T23:  -0.0823                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2426 L22:   3.4181                                     
REMARK   3      L33:   2.4586 L12:   0.6030                                     
REMARK   3      L13:  -0.4308 L23:  -1.4194                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1435 S12:  -0.4307 S13:   0.0621                       
REMARK   3      S21:   0.6048 S22:  -0.1091 S23:   0.3841                       
REMARK   3      S31:  -0.1953 S32:  -0.3852 S33:  -0.0749                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 192 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -61.8105   9.5461   3.4850              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7948 T22:   0.6087                                     
REMARK   3      T33:   0.7911 T12:   0.1105                                     
REMARK   3      T13:   0.3183 T23:  -0.0419                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8042 L22:   2.8580                                     
REMARK   3      L33:   0.5143 L12:   0.5064                                     
REMARK   3      L13:   0.1428 L23:  -0.3756                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1954 S12:  -0.4843 S13:   0.5726                       
REMARK   3      S21:   0.3886 S22:  -0.3510 S23:   0.3609                       
REMARK   3      S31:  -0.2216 S32:  -0.3743 S33:   0.0062                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 203 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -60.7837  -3.5796  -1.5982              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4294 T22:   0.7036                                     
REMARK   3      T33:   0.4901 T12:  -0.0980                                     
REMARK   3      T13:   0.1050 T23:  -0.1033                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1061 L22:   4.5508                                     
REMARK   3      L33:   1.6737 L12:  -0.6248                                     
REMARK   3      L13:   0.3533 L23:  -0.4788                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0149 S12:  -0.2445 S13:  -0.2909                       
REMARK   3      S21:   0.2727 S22:   0.1868 S23:   0.6581                       
REMARK   3      S31:   0.1069 S32:  -1.0516 S33:  -0.1085                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 224 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -42.8243  -8.9990   8.6997              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6362 T22:   0.5174                                     
REMARK   3      T33:   0.3799 T12:   0.0181                                     
REMARK   3      T13:   0.0070 T23:   0.0405                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9348 L22:   1.7163                                     
REMARK   3      L33:   2.2864 L12:  -0.1379                                     
REMARK   3      L13:  -0.3357 L23:  -0.2123                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0974 S12:  -0.6417 S13:  -0.3009                       
REMARK   3      S21:   0.2637 S22:  -0.0369 S23:   0.3077                       
REMARK   3      S31:   0.2900 S32:  -0.0383 S33:   0.0203                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 255 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -48.0482  -3.3535   4.5972              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5000 T22:   0.4707                                     
REMARK   3      T33:   0.3225 T12:  -0.0320                                     
REMARK   3      T13:   0.0571 T23:   0.0098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9860 L22:   1.5326                                     
REMARK   3      L33:   3.1213 L12:   0.1699                                     
REMARK   3      L13:   0.8777 L23:  -0.5133                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0200 S12:  -0.5170 S13:  -0.1659                       
REMARK   3      S21:   0.4565 S22:   0.2121 S23:   0.1496                       
REMARK   3      S31:   0.0409 S32:  -0.0612 S33:   0.0000                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 302 THROUGH 310 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -46.6026   1.4518 -13.0445              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3275 T22:   0.4552                                     
REMARK   3      T33:   0.2884 T12:  -0.0119                                     
REMARK   3      T13:   0.0297 T23:  -0.0622                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8910 L22:   7.6759                                     
REMARK   3      L33:   3.9393 L12:   0.1451                                     
REMARK   3      L13:  -1.0187 L23:  -0.0106                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0415 S12:   0.3564 S13:  -0.2001                       
REMARK   3      S21:  -0.1291 S22:  -0.0193 S23:   0.3198                       
REMARK   3      S31:  -0.0094 S32:  -0.4439 S33:  -0.0253                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 311 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -58.6309  -1.4387 -10.7561              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3499 T22:   0.4673                                     
REMARK   3      T33:   0.3542 T12:  -0.0516                                     
REMARK   3      T13:  -0.0087 T23:  -0.0506                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5972 L22:   1.9589                                     
REMARK   3      L33:   1.7519 L12:   0.2525                                     
REMARK   3      L13:   0.3429 L23:   0.3903                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1617 S12:   0.2782 S13:  -0.0180                       
REMARK   3      S21:   0.0375 S22:   0.3433 S23:   0.2572                       
REMARK   3      S31:   0.0314 S32:  -0.2871 S33:   0.0208                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0503 -22.8953 -68.9493              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2562 T22:   0.4430                                     
REMARK   3      T33:   0.4124 T12:   0.0282                                     
REMARK   3      T13:   0.0233 T23:  -0.1678                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8186 L22:   1.2669                                     
REMARK   3      L33:   0.8720 L12:   0.4016                                     
REMARK   3      L13:  -0.0607 L23:   0.2357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0721 S12:   0.4052 S13:   0.2805                       
REMARK   3      S21:  -0.0670 S22:  -0.4675 S23:   0.3882                       
REMARK   3      S31:   0.1446 S32:  -0.3501 S33:  -0.0540                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 192 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -14.4853 -29.6613 -70.4284              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3607 T22:   0.7333                                     
REMARK   3      T33:   0.6443 T12:  -0.0483                                     
REMARK   3      T13:   0.0271 T23:  -0.3275                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2000 L22:   2.1280                                     
REMARK   3      L33:   1.4759 L12:  -0.8152                                     
REMARK   3      L13:   0.4802 L23:   0.8758                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3333 S12:   0.5398 S13:   0.2461                       
REMARK   3      S21:  -0.2398 S22:  -0.4010 S23:   0.6855                       
REMARK   3      S31:   0.3282 S32:  -0.5670 S33:  -0.0546                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.0303 -27.0762 -48.7795              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3702 T22:   0.8660                                     
REMARK   3      T33:  -0.2795 T12:  -0.4985                                     
REMARK   3      T13:   1.3326 T23:  -0.4501                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9612 L22:   2.6420                                     
REMARK   3      L33:   1.4136 L12:   1.2870                                     
REMARK   3      L13:   0.2254 L23:   0.9169                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0922 S12:  -0.2753 S13:  -0.2774                       
REMARK   3      S21:   0.4736 S22:  -0.0777 S23:   0.5164                       
REMARK   3      S31:   0.2339 S32:  -0.3729 S33:   0.7294                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 236 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.2148 -18.0634 -51.0943              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5012 T22:   0.4152                                     
REMARK   3      T33:   0.3906 T12:  -0.0983                                     
REMARK   3      T13:   0.0849 T23:  -0.1843                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4245 L22:   4.0293                                     
REMARK   3      L33:   1.6572 L12:  -1.7641                                     
REMARK   3      L13:   0.6504 L23:  -0.1219                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2553 S12:  -0.3098 S13:   0.5188                       
REMARK   3      S21:   0.1986 S22:   0.0552 S23:   0.1553                       
REMARK   3      S31:   0.0120 S32:  -0.1444 S33:   0.0263                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 255 THROUGH 283 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -11.7775 -26.3478 -57.1690              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2469 T22:   0.5273                                     
REMARK   3      T33:   0.5053 T12:  -0.1877                                     
REMARK   3      T13:   0.1836 T23:  -0.2848                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0584 L22:   2.5496                                     
REMARK   3      L33:   1.1453 L12:  -0.3315                                     
REMARK   3      L13:  -0.6834 L23:   0.2354                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1677 S12:  -0.3371 S13:   0.0878                       
REMARK   3      S21:   0.7073 S22:  -0.4658 S23:   0.2819                       
REMARK   3      S31:   0.7204 S32:  -0.5808 S33:   0.0219                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 284 THROUGH 308 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.2608 -23.5574 -61.6725              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3064 T22:   0.3571                                     
REMARK   3      T33:   0.3773 T12:  -0.0695                                     
REMARK   3      T13:   0.0207 T23:  -0.1160                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1760 L22:   3.7423                                     
REMARK   3      L33:   1.6540 L12:  -1.9925                                     
REMARK   3      L13:  -1.0522 L23:   1.2468                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1684 S12:  -0.1517 S13:   0.4510                       
REMARK   3      S21:   0.2111 S22:  -0.1741 S23:  -0.4881                       
REMARK   3      S31:   0.0781 S32:  -0.1561 S33:  -0.0281                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 309 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.5680 -38.1058 -69.8551              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4343 T22:   0.5239                                     
REMARK   3      T33:   0.5608 T12:  -0.0873                                     
REMARK   3      T13:   0.0599 T23:  -0.2604                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0491 L22:   1.4530                                     
REMARK   3      L33:   1.0833 L12:   0.4122                                     
REMARK   3      L13:  -0.4711 L23:  -1.2488                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3806 S12:   0.9212 S13:  -0.8515                       
REMARK   3      S21:   0.1268 S22:  -0.3473 S23:   0.0384                       
REMARK   3      S31:   0.7443 S32:  -0.1601 S33:  -0.0123                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   5.6790 -10.5677 -27.1734              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2979 T22:   0.4155                                     
REMARK   3      T33:   0.3446 T12:  -0.0626                                     
REMARK   3      T13:   0.0068 T23:  -0.0680                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0169 L22:   2.2657                                     
REMARK   3      L33:   2.1152 L12:  -1.1958                                     
REMARK   3      L13:  -0.9187 L23:   0.9716                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0553 S12:   0.1154 S13:   0.0474                       
REMARK   3      S21:  -0.0818 S22:   0.1320 S23:  -0.2948                       
REMARK   3      S31:   0.0167 S32:   0.5221 S33:  -0.0531                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 192 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   8.9654 -16.2735 -21.7012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4589 T22:   0.5059                                     
REMARK   3      T33:   0.4873 T12:   0.0700                                     
REMARK   3      T13:  -0.0840 T23:  -0.0697                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5717 L22:   1.6507                                     
REMARK   3      L33:   2.1639 L12:   0.3016                                     
REMARK   3      L13:   0.2659 L23:   0.4337                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1278 S12:  -0.2178 S13:  -0.3559                       
REMARK   3      S21:  -0.0893 S22:   0.0769 S23:  -0.4087                       
REMARK   3      S31:   0.4060 S32:   0.5636 S33:  -0.0431                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 224 THROUGH 246 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   7.3512 -21.3947 -43.8556              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5129 T22:   0.6337                                     
REMARK   3      T33:   0.4216 T12:  -0.0163                                     
REMARK   3      T13:   0.0921 T23:  -0.2145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3791 L22:   3.3024                                     
REMARK   3      L33:   2.8253 L12:  -0.4566                                     
REMARK   3      L13:   0.0895 L23:  -0.4545                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1204 S12:   0.5126 S13:  -0.1169                       
REMARK   3      S21:  -0.1624 S22:   0.1623 S23:  -0.4040                       
REMARK   3      S31:   0.3708 S32:   0.7813 S33:   0.0614                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 247 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.9235 -19.4565 -41.0076              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4392 T22:   0.3931                                     
REMARK   3      T33:   0.3864 T12:  -0.1441                                     
REMARK   3      T13:   0.0889 T23:  -0.1142                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2183 L22:   3.1643                                     
REMARK   3      L33:   4.1523 L12:  -0.2149                                     
REMARK   3      L13:  -2.0765 L23:  -0.9741                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5766 S12:   0.5625 S13:  -0.0109                       
REMARK   3      S21:   0.0596 S22:   0.1614 S23:  -0.0960                       
REMARK   3      S31:   0.3451 S32:  -1.0615 S33:   0.0233                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 255 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.2806 -17.3998 -34.9921              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3521 T22:   0.4105                                     
REMARK   3      T33:   0.3730 T12:  -0.0579                                     
REMARK   3      T13:   0.0570 T23:  -0.1228                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6376 L22:   1.8945                                     
REMARK   3      L33:   3.3321 L12:  -0.4977                                     
REMARK   3      L13:  -0.2069 L23:  -0.2734                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0573 S12:   0.4196 S13:  -0.1718                       
REMARK   3      S21:  -0.2310 S22:   0.2084 S23:  -0.2071                       
REMARK   3      S31:   0.2353 S32:   0.3778 S33:   0.0082                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 302 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.9950 -18.7154 -20.2628              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4416 T22:   0.3511                                     
REMARK   3      T33:   0.3478 T12:  -0.0969                                     
REMARK   3      T13:   0.0012 T23:   0.0205                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9139 L22:   2.2970                                     
REMARK   3      L33:   1.5103 L12:  -0.9321                                     
REMARK   3      L13:   0.7078 L23:  -0.1181                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0255 S12:  -0.5216 S13:  -0.3513                       
REMARK   3      S21:   0.5069 S22:   0.1607 S23:   0.0999                       
REMARK   3      S31:   0.2812 S32:  -0.0830 S33:  -0.0445                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -22.2864 -41.9370 -32.6769              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5225 T22:   0.3945                                     
REMARK   3      T33:   0.3644 T12:  -0.0023                                     
REMARK   3      T13:   0.0694 T23:   0.0184                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7087 L22:   1.2524                                     
REMARK   3      L33:   1.4837 L12:   0.3717                                     
REMARK   3      L13:   1.3935 L23:   0.1685                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1877 S12:   0.7949 S13:  -0.3834                       
REMARK   3      S21:  -0.3207 S22:   0.0407 S23:  -0.1592                       
REMARK   3      S31:  -0.0097 S32:   0.3690 S33:  -0.0175                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 192 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.4617 -42.2409 -40.4601              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8787 T22:   1.4215                                     
REMARK   3      T33:   0.6206 T12:  -0.0525                                     
REMARK   3      T13:   0.1302 T23:  -0.1876                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2950 L22:   0.2335                                     
REMARK   3      L33:   0.0565 L12:   0.1828                                     
REMARK   3      L13:   0.0987 L23:   0.1402                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1013 S12:   0.6703 S13:  -0.0140                       
REMARK   3      S21:  -0.1864 S22:  -0.0898 S23:  -0.1160                       
REMARK   3      S31:   0.3329 S32:  -0.5785 S33:  -0.0138                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 203 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.8673 -31.3139 -31.2038              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6966 T22:   0.5401                                     
REMARK   3      T33:   0.5440 T12:  -0.1033                                     
REMARK   3      T13:   0.3004 T23:   0.1783                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8884 L22:   2.2920                                     
REMARK   3      L33:   2.6985 L12:  -0.9908                                     
REMARK   3      L13:   0.4383 L23:  -0.7914                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7593 S12:   1.1645 S13:   0.9578                       
REMARK   3      S21:  -0.1260 S22:  -0.7016 S23:  -0.6735                       
REMARK   3      S31:  -0.1306 S32:   0.7651 S33:   0.0055                       
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 224 THROUGH 246 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.2276 -44.0110 -13.3751              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5752 T22:   0.5517                                     
REMARK   3      T33:   0.4406 T12:  -0.0235                                     
REMARK   3      T13:  -0.0208 T23:   0.0613                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2472 L22:   4.1284                                     
REMARK   3      L33:   2.6284 L12:   0.9316                                     
REMARK   3      L13:   0.3004 L23:   0.2456                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0891 S12:  -0.5729 S13:  -0.6213                       
REMARK   3      S21:   0.0717 S22:   0.2639 S23:  -0.3899                       
REMARK   3      S31:   0.0587 S32:   0.5851 S33:  -0.0702                       
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 247 THROUGH 281 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.1131 -38.2964 -19.0421              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5062 T22:   0.3055                                     
REMARK   3      T33:   0.3187 T12:  -0.0648                                     
REMARK   3      T13:   0.0085 T23:   0.0207                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9422 L22:   1.7843                                     
REMARK   3      L33:   1.8054 L12:   0.3045                                     
REMARK   3      L13:   0.1514 L23:  -0.1242                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1513 S12:  -0.0818 S13:  -0.0563                       
REMARK   3      S21:   0.3016 S22:  -0.0829 S23:  -0.1364                       
REMARK   3      S31:  -0.2685 S32:   0.1735 S33:  -0.0143                       
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 282 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -22.9695 -46.8378 -24.3749              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5258 T22:   0.3198                                     
REMARK   3      T33:   0.3828 T12:  -0.0039                                     
REMARK   3      T13:  -0.0001 T23:   0.0506                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.0972 L22:   4.7581                                     
REMARK   3      L33:   2.0438 L12:  -4.4263                                     
REMARK   3      L13:   1.5395 L23:  -0.1603                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2896 S12:  -0.0533 S13:  -0.8220                       
REMARK   3      S21:  -0.1659 S22:  -0.0723 S23:   0.0849                       
REMARK   3      S31:   0.3202 S32:   0.0373 S33:   0.0179                       
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 302 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -31.1213 -29.7116 -31.6466              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7884 T22:   0.2810                                     
REMARK   3      T33:   0.3431 T12:   0.0982                                     
REMARK   3      T13:   0.1173 T23:   0.1152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7646 L22:   2.2678                                     
REMARK   3      L33:   2.3888 L12:   0.4188                                     
REMARK   3      L13:  -0.2440 L23:  -0.1767                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2420 S12:   0.6904 S13:   0.4345                       
REMARK   3      S21:  -0.6218 S22:  -0.2097 S23:   0.1501                       
REMARK   3      S31:  -0.9468 S32:  -0.5104 S33:  -0.0366                       
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -51.3036 -49.7048 -25.3579              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4623 T22:   0.6979                                     
REMARK   3      T33:   0.5534 T12:   0.0225                                     
REMARK   3      T13:   0.0785 T23:  -0.1360                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8184 L22:   3.7638                                     
REMARK   3      L33:   1.6542 L12:   0.8392                                     
REMARK   3      L13:  -0.3973 L23:  -0.7783                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4134 S12:  -0.0059 S13:  -0.1308                       
REMARK   3      S21:   0.7578 S22:  -0.5175 S23:   0.7064                       
REMARK   3      S31:  -0.2697 S32:  -1.0388 S33:  -0.0113                       
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID 191 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -59.1866 -47.8094 -20.9023              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6640 T22:   1.1042                                     
REMARK   3      T33:   1.2112 T12:  -0.0741                                     
REMARK   3      T13:   0.2646 T23:  -0.2512                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1467 L22:   1.0264                                     
REMARK   3      L33:   1.0426 L12:   0.3510                                     
REMARK   3      L13:   0.9253 L23:   0.3869                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4679 S12:   0.0073 S13:   0.1297                       
REMARK   3      S21:   0.2198 S22:   0.0275 S23:   0.4645                       
REMARK   3      S31:  -0.0512 S32:  -0.3103 S33:   0.0183                       
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID 203 THROUGH 260 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -48.8442 -60.8633 -32.2389              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4837 T22:   0.5857                                     
REMARK   3      T33:   0.5377 T12:  -0.0307                                     
REMARK   3      T13:  -0.0523 T23:  -0.1216                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5536 L22:   2.0603                                     
REMARK   3      L33:   1.2956 L12:  -0.1296                                     
REMARK   3      L13:  -0.0045 L23:  -0.7378                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0839 S12:  -0.1111 S13:  -0.0076                       
REMARK   3      S21:   0.0374 S22:  -0.2162 S23:   0.5546                       
REMARK   3      S31:   0.3334 S32:  -0.5897 S33:   0.0066                       
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID 261 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -48.0956 -59.3581 -27.3238              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4497 T22:   0.5574                                     
REMARK   3      T33:   0.4966 T12:  -0.0045                                     
REMARK   3      T13:  -0.0030 T23:  -0.0368                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5901 L22:   2.8227                                     
REMARK   3      L33:   1.8472 L12:   0.1879                                     
REMARK   3      L13:   0.0243 L23:  -0.2807                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0405 S12:  -0.2809 S13:  -0.3017                       
REMARK   3      S21:   0.4885 S22:  -0.1876 S23:   0.2521                       
REMARK   3      S31:   0.0338 S32:  -0.2343 S33:   0.0006                       
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    SELECTION: CHAIN 'I' AND (RESID 302 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -51.0173 -44.9103 -39.2911              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4681 T22:   0.6051                                     
REMARK   3      T33:   0.5372 T12:   0.1694                                     
REMARK   3      T13:  -0.1476 T23:  -0.1175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6532 L22:   1.7980                                     
REMARK   3      L33:   1.3840 L12:   0.9454                                     
REMARK   3      L13:   0.5422 L23:   0.4615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0871 S12:   0.0131 S13:   0.3952                       
REMARK   3      S21:  -0.3534 S22:  -0.2769 S23:   0.9120                       
REMARK   3      S31:  -0.2535 S32:  -0.5196 S33:   0.0376                       
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -19.6189 -14.5223-101.3572              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5460 T22:   0.4084                                     
REMARK   3      T33:   0.7006 T12:  -0.0677                                     
REMARK   3      T13:   0.0610 T23:  -0.0779                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1038 L22:   2.4995                                     
REMARK   3      L33:   2.5583 L12:  -0.7693                                     
REMARK   3      L13:  -0.9051 L23:   1.3278                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2376 S12:   0.2333 S13:  -0.8027                       
REMARK   3      S21:  -0.0575 S22:  -0.2409 S23:   0.6911                       
REMARK   3      S31:   0.5311 S32:  -0.6436 S33:   0.1249                       
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 191 THROUGH 203 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -28.7422 -16.8603-100.4401              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5666 T22:   0.8953                                     
REMARK   3      T33:   1.2611 T12:  -0.1405                                     
REMARK   3      T13:   0.0579 T23:  -0.2788                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0457 L22:   3.1850                                     
REMARK   3      L33:   0.5735 L12:   0.2956                                     
REMARK   3      L13:   0.1433 L23:   0.7362                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5048 S12:   0.2522 S13:  -0.2991                       
REMARK   3      S21:  -0.3988 S22:  -0.0530 S23:   0.2482                       
REMARK   3      S31:   1.2715 S32:  -0.0599 S33:   0.1051                       
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 204 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -20.9909 -15.4503 -89.2172              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8685 T22:   0.6780                                     
REMARK   3      T33:   0.9444 T12:   0.0743                                     
REMARK   3      T13:   0.3178 T23:   0.1659                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9946 L22:   1.7478                                     
REMARK   3      L33:   0.9516 L12:  -0.1802                                     
REMARK   3      L13:   0.6091 L23:  -0.5256                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6381 S12:  -1.1075 S13:  -1.0673                       
REMARK   3      S21:   0.4933 S22:   0.0481 S23:   1.3008                       
REMARK   3      S31:   0.2245 S32:  -0.8920 S33:  -0.1329                       
REMARK   3   TLS GROUP : 61                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -12.7730   2.8967 -88.2383              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5765 T22:   0.6889                                     
REMARK   3      T33:   0.4490 T12:   0.1630                                     
REMARK   3      T13:  -0.1089 T23:  -0.2729                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4544 L22:   2.8219                                     
REMARK   3      L33:   4.0825 L12:   0.2646                                     
REMARK   3      L13:  -0.5833 L23:   0.5949                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5262 S12:  -1.3969 S13:   0.5962                       
REMARK   3      S21:   0.8342 S22:   0.6128 S23:  -0.4317                       
REMARK   3      S31:  -0.3494 S32:   0.3606 S33:  -0.0480                       
REMARK   3   TLS GROUP : 62                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 236 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.7129   1.3523-101.2277              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4044 T22:   0.4788                                     
REMARK   3      T33:   0.4245 T12:  -0.0003                                     
REMARK   3      T13:  -0.0807 T23:   0.0032                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2314 L22:   2.7566                                     
REMARK   3      L33:   1.9715 L12:  -0.7607                                     
REMARK   3      L13:   0.0612 L23:  -0.2368                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1896 S12:  -0.0521 S13:   0.3955                       
REMARK   3      S21:  -0.5769 S22:  -0.0304 S23:   0.1661                       
REMARK   3      S31:   0.2880 S32:  -0.1483 S33:  -0.0186                       
REMARK   3   TLS GROUP : 63                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 255 THROUGH 280 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9801  -6.8848 -92.7097              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4586 T22:   0.5334                                     
REMARK   3      T33:   0.3407 T12:   0.0930                                     
REMARK   3      T13:  -0.0472 T23:  -0.0138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6565 L22:   2.5077                                     
REMARK   3      L33:   1.7920 L12:  -0.9861                                     
REMARK   3      L13:   0.0319 L23:  -0.2807                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4472 S12:  -0.1277 S13:   0.1153                       
REMARK   3      S21:   0.5868 S22:   0.0473 S23:   0.1535                       
REMARK   3      S31:   0.4310 S32:   0.2608 S33:  -0.0130                       
REMARK   3   TLS GROUP : 64                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 281 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.1035  -5.1612-103.0342              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5258 T22:   0.4648                                     
REMARK   3      T33:   0.4387 T12:   0.0286                                     
REMARK   3      T13:  -0.0751 T23:  -0.0461                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9732 L22:   5.6798                                     
REMARK   3      L33:   1.8803 L12:  -3.2113                                     
REMARK   3      L13:   0.4229 L23:  -0.0990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2844 S12:   0.5099 S13:   0.0173                       
REMARK   3      S21:  -1.1343 S22:  -0.3804 S23:   0.2819                       
REMARK   3      S31:   0.1818 S32:  -0.5803 S33:  -0.0147                       
REMARK   3   TLS GROUP : 65                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 302 THROUGH 310 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.2332 -22.2458 -98.0408              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8376 T22:   0.5121                                     
REMARK   3      T33:   0.4653 T12:   0.2381                                     
REMARK   3      T13:   0.1176 T23:   0.0669                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0843 L22:   3.2640                                     
REMARK   3      L33:   2.2965 L12:   0.3945                                     
REMARK   3      L13:   0.6257 L23:   0.0562                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0362 S12:  -0.3728 S13:  -0.5960                       
REMARK   3      S21:   0.1741 S22:  -0.4295 S23:  -0.3720                       
REMARK   3      S31:   0.6234 S32:   0.0056 S33:  -0.0493                       
REMARK   3   TLS GROUP : 66                                                     
REMARK   3    SELECTION: CHAIN 'J' AND (RESID 311 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -14.6605 -23.4756 -90.0388              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8634 T22:   0.6667                                     
REMARK   3      T33:   0.7726 T12:   0.1678                                     
REMARK   3      T13:   0.2121 T23:   0.1859                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7079 L22:   0.7002                                     
REMARK   3      L33:   1.5890 L12:  -0.3786                                     
REMARK   3      L13:   0.5935 L23:   0.2120                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2093 S12:  -0.1270 S13:  -0.9722                       
REMARK   3      S21:  -0.0155 S22:  -0.0856 S23:   0.4507                       
REMARK   3      S31:   0.7933 S32:   0.0348 S33:   0.0292                       
REMARK   3   TLS GROUP : 67                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 171 THROUGH 191 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -45.3953  18.2035 -49.6945              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3216 T22:   0.5331                                     
REMARK   3      T33:   0.4423 T12:  -0.0663                                     
REMARK   3      T13:   0.0024 T23:   0.1882                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8477 L22:   1.9243                                     
REMARK   3      L33:   3.2506 L12:  -0.2205                                     
REMARK   3      L13:   0.2691 L23:   0.1507                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1131 S12:  -0.3909 S13:  -0.1813                       
REMARK   3      S21:  -0.0448 S22:  -0.0804 S23:  -0.2520                       
REMARK   3      S31:   0.0840 S32:   0.6854 S33:  -0.0143                       
REMARK   3   TLS GROUP : 68                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 192 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -36.0864  19.6036 -50.1364              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4550 T22:   1.1566                                     
REMARK   3      T33:   0.9506 T12:   0.0521                                     
REMARK   3      T13:   0.0193 T23:   0.2186                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0706 L22:   0.2783                                     
REMARK   3      L33:   0.6797 L12:  -0.0817                                     
REMARK   3      L13:   0.1670 L23:  -0.4170                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1892 S12:  -0.2563 S13:   0.0520                       
REMARK   3      S21:   0.3092 S22:  -0.0059 S23:  -0.4053                       
REMARK   3      S31:  -0.2188 S32:   0.2928 S33:   0.0233                       
REMARK   3   TLS GROUP : 69                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 203 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -44.2428  27.3316 -42.1154              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5670 T22:   0.7987                                     
REMARK   3      T33:   0.5634 T12:  -0.2459                                     
REMARK   3      T13:  -0.1009 T23:   0.0610                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7065 L22:   1.5561                                     
REMARK   3      L33:   2.9331 L12:   0.0044                                     
REMARK   3      L13:  -0.8537 L23:  -0.0794                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0454 S12:  -0.6009 S13:   0.4644                       
REMARK   3      S21:   0.7069 S22:  -0.1669 S23:  -0.2531                       
REMARK   3      S31:  -0.3866 S32:   0.4031 S33:  -0.0538                       
REMARK   3   TLS GROUP : 70                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -56.8168  16.7003 -30.2084              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8690 T22:   1.1137                                     
REMARK   3      T33:   0.5943 T12:  -0.3132                                     
REMARK   3      T13:  -0.0165 T23:   0.1887                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9126 L22:   4.2837                                     
REMARK   3      L33:   2.6262 L12:  -1.1195                                     
REMARK   3      L13:   0.6070 L23:   1.3412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1934 S12:  -0.5820 S13:   0.1113                       
REMARK   3      S21:   1.2590 S22:  -0.4243 S23:   0.4043                       
REMARK   3      S31:  -0.4167 S32:  -0.0284 S33:   0.0207                       
REMARK   3   TLS GROUP : 71                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 236 THROUGH 246 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -55.5273   3.9463 -39.6771              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5174 T22:   0.6202                                     
REMARK   3      T33:   1.0084 T12:   0.0446                                     
REMARK   3      T13:   0.0208 T23:   0.2356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8374 L22:   1.6821                                     
REMARK   3      L33:   2.9121 L12:  -0.0099                                     
REMARK   3      L13:   1.7165 L23:  -1.4935                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4566 S12:   0.2678 S13:  -0.8044                       
REMARK   3      S21:  -0.1915 S22:   0.1414 S23:  -0.1960                       
REMARK   3      S31:   0.5757 S32:   0.3213 S33:  -0.0203                       
REMARK   3   TLS GROUP : 72                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 247 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -63.7095  15.4344 -43.4334              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3548 T22:   0.4573                                     
REMARK   3      T33:   0.5067 T12:  -0.0312                                     
REMARK   3      T13:   0.0895 T23:   0.0173                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5847 L22:   2.5864                                     
REMARK   3      L33:   1.6394 L12:   0.7813                                     
REMARK   3      L13:  -0.4729 L23:  -0.4953                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0851 S12:   0.2468 S13:  -0.2247                       
REMARK   3      S21:  -0.0413 S22:  -0.6937 S23:  -0.2652                       
REMARK   3      S31:  -0.0993 S32:   0.1405 S33:  -0.0074                       
REMARK   3   TLS GROUP : 73                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 255 THROUGH 280 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -54.1492  20.1305 -40.0136              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4532 T22:   0.6257                                     
REMARK   3      T33:   0.4368 T12:  -0.1081                                     
REMARK   3      T13:   0.0131 T23:   0.1361                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6159 L22:   2.0818                                     
REMARK   3      L33:   1.5888 L12:  -0.1136                                     
REMARK   3      L13:   0.0521 L23:   0.1142                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0610 S12:  -0.8053 S13:  -0.5047                       
REMARK   3      S21:   0.5643 S22:  -0.0421 S23:   0.1854                       
REMARK   3      S31:  -0.4620 S32:   0.2304 S33:  -0.0226                       
REMARK   3   TLS GROUP : 74                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 281 THROUGH 301 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -51.5010  11.2280 -46.0694              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3431 T22:   0.6655                                     
REMARK   3      T33:   0.6685 T12:   0.0055                                     
REMARK   3      T13:   0.0029 T23:   0.3235                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2121 L22:   1.8358                                     
REMARK   3      L33:   2.6515 L12:   0.2967                                     
REMARK   3      L13:  -0.4451 L23:  -0.6783                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4193 S12:  -0.4207 S13:  -0.8619                       
REMARK   3      S21:  -0.5816 S22:  -0.6374 S23:  -0.0306                       
REMARK   3      S31:   0.8253 S32:   0.7662 S33:  -0.0276                       
REMARK   3   TLS GROUP : 75                                                     
REMARK   3    SELECTION: CHAIN 'K' AND (RESID 302 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -53.0040  31.0161 -51.9191              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5389 T22:   0.3516                                     
REMARK   3      T33:   0.4460 T12:  -0.1256                                     
REMARK   3      T13:   0.0086 T23:  -0.0005                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4724 L22:   1.4444                                     
REMARK   3      L33:   2.1141 L12:  -0.2788                                     
REMARK   3      L13:  -0.0318 L23:   0.2502                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2809 S12:  -0.3502 S13:   0.3660                       
REMARK   3      S21:  -0.3381 S22:  -0.2792 S23:   0.1577                       
REMARK   3      S31:  -0.8102 S32:   0.1517 S33:   0.0287                       
REMARK   3   TLS GROUP : 76                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 171 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.1055 -18.5751  16.2643              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6754 T22:   0.4950                                     
REMARK   3      T33:   0.4618 T12:   0.0956                                     
REMARK   3      T13:   0.0536 T23:   0.0269                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8354 L22:   1.0013                                     
REMARK   3      L33:   4.2138 L12:  -0.0246                                     
REMARK   3      L13:  -0.8848 L23:  -0.3043                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1904 S12:  -0.5504 S13:  -0.3522                       
REMARK   3      S21:   0.0699 S22:  -0.1268 S23:  -0.2656                       
REMARK   3      S31:   0.0259 S32:   1.0380 S33:  -0.0142                       
REMARK   3   TLS GROUP : 77                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 191 THROUGH 202 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.5691 -19.3976  16.4485              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8889 T22:   1.2863                                     
REMARK   3      T33:   0.7208 T12:   0.2132                                     
REMARK   3      T13:  -0.0656 T23:   0.1273                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1841 L22:   0.7330                                     
REMARK   3      L33:   0.5192 L12:  -0.1641                                     
REMARK   3      L13:   0.5586 L23:   0.1853                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4574 S12:  -0.5132 S13:  -0.3436                       
REMARK   3      S21:   0.9415 S22:   0.4149 S23:  -0.3311                       
REMARK   3      S31:   0.1833 S32:   0.4704 S33:   0.0990                       
REMARK   3   TLS GROUP : 78                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 203 THROUGH 223 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.1332 -27.4173   8.1997              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7511 T22:   0.5211                                     
REMARK   3      T33:   0.6246 T12:   0.1128                                     
REMARK   3      T13:   0.1053 T23:   0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7575 L22:   2.8150                                     
REMARK   3      L33:   1.7992 L12:  -0.1772                                     
REMARK   3      L13:  -0.9141 L23:  -0.4676                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2399 S12:   0.1565 S13:  -0.4984                       
REMARK   3      S21:  -0.1081 S22:  -0.1199 S23:  -0.6221                       
REMARK   3      S31:   0.1549 S32:   0.3816 S33:  -0.0215                       
REMARK   3   TLS GROUP : 79                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 224 THROUGH 235 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7716 -15.4716  -4.7732              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8219 T22:   0.8714                                     
REMARK   3      T33:   0.3770 T12:   0.0618                                     
REMARK   3      T13:   0.0251 T23:  -0.0102                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9303 L22:   4.0321                                     
REMARK   3      L33:   2.9620 L12:  -0.8811                                     
REMARK   3      L13:   0.1765 L23:   0.9874                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2088 S12:   1.0674 S13:   0.0052                       
REMARK   3      S21:  -0.6438 S22:  -0.2979 S23:  -0.3770                       
REMARK   3      S31:  -0.0255 S32:   0.2115 S33:  -0.0373                       
REMARK   3   TLS GROUP : 80                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 236 THROUGH 254 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -28.8458  -8.1634   6.0557              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6186 T22:   0.4525                                     
REMARK   3      T33:   0.4108 T12:   0.0615                                     
REMARK   3      T13:  -0.0297 T23:   0.0187                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9555 L22:   2.8062                                     
REMARK   3      L33:   2.4093 L12:   0.2356                                     
REMARK   3      L13:  -0.4835 L23:   0.0598                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1941 S12:   0.2245 S13:   0.3292                       
REMARK   3      S21:   0.0218 S22:   0.0082 S23:  -0.3617                       
REMARK   3      S31:   0.0499 S32:   0.3717 S33:  -0.0076                       
REMARK   3   TLS GROUP : 81                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 255 THROUGH 283 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.2772 -17.6960   4.7781              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6793 T22:   0.4611                                     
REMARK   3      T33:   0.4249 T12:   0.0655                                     
REMARK   3      T13:   0.0457 T23:  -0.0232                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8004 L22:   2.5508                                     
REMARK   3      L33:   2.2328 L12:  -0.3112                                     
REMARK   3      L13:  -0.6975 L23:  -0.5361                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1119 S12:   0.4357 S13:   0.1626                       
REMARK   3      S21:  -0.1640 S22:  -0.1982 S23:   0.1552                       
REMARK   3      S31:   0.1834 S32:   0.0029 S33:  -0.0138                       
REMARK   3   TLS GROUP : 82                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 284 THROUGH 308 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.8239 -17.0572  15.2509              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6186 T22:   0.4066                                     
REMARK   3      T33:   0.4464 T12:   0.0597                                     
REMARK   3      T13:   0.0232 T23:  -0.0183                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0478 L22:   4.1986                                     
REMARK   3      L33:   2.8497 L12:   0.9462                                     
REMARK   3      L13:  -0.9577 L23:  -1.4578                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0104 S12:  -0.2628 S13:   0.0388                       
REMARK   3      S21:   0.6311 S22:  -0.1645 S23:   0.0850                       
REMARK   3      S31:  -0.0683 S32:   0.1502 S33:  -0.0471                       
REMARK   3   TLS GROUP : 83                                                     
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 309 THROUGH 321 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -21.5742 -33.3810  14.7088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9620 T22:   0.3893                                     
REMARK   3      T33:   0.5661 T12:   0.1394                                     
REMARK   3      T13:   0.1736 T23:   0.1268                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4495 L22:   1.4163                                     
REMARK   3      L33:   5.3958 L12:   1.6767                                     
REMARK   3      L13:   0.6900 L23:   0.1457                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6647 S12:  -0.6317 S13:  -0.8838                       
REMARK   3      S21:   0.4656 S22:  -0.0914 S23:   0.1472                       
REMARK   3      S31:   0.9061 S32:   0.5706 S33:   0.0063                       
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 4ZBF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-APR-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000208881.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-AUG-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0 - 8.0                          
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 21-ID-G                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97856                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 108388                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.6                               
REMARK 200  DATA REDUNDANCY                : 3.600                              
REMARK 200  R MERGE                    (I) : 0.04900                            
REMARK 200  R SYM                      (I) : 0.04100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 29.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.24                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 91.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.100                              
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   (%): 53.06                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.62                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, MAGNESIUM CHLORIDE, BIS        
REMARK 280  -TRIS, EVAPORATION, TEMPERATURE 291K                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       67.20250            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13               
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 5                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 6                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 7                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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: 8                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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: 9                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: H                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 10                                                      
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: I                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 11                                                      
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: J                                     
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: 12                                                      
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: K                                     
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: 13                                                      
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: L                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     LEU A   324                                                      
REMARK 465     GLU A   325                                                      
REMARK 465     GLY A   326                                                      
REMARK 465     GLY A   327                                                      
REMARK 465     GLU B   322                                                      
REMARK 465     ASP B   323                                                      
REMARK 465     LEU B   324                                                      
REMARK 465     GLU B   325                                                      
REMARK 465     GLY B   326                                                      
REMARK 465     GLY B   327                                                      
REMARK 465     GLY C   200                                                      
REMARK 465     ARG C   201                                                      
REMARK 465     SER C   202                                                      
REMARK 465     ASP C   323                                                      
REMARK 465     LEU C   324                                                      
REMARK 465     GLU C   325                                                      
REMARK 465     GLY C   326                                                      
REMARK 465     GLY C   327                                                      
REMARK 465     GLY D   200                                                      
REMARK 465     ARG D   201                                                      
REMARK 465     SER D   202                                                      
REMARK 465     GLU D   322                                                      
REMARK 465     ASP D   323                                                      
REMARK 465     LEU D   324                                                      
REMARK 465     GLU D   325                                                      
REMARK 465     GLY D   326                                                      
REMARK 465     GLY D   327                                                      
REMARK 465     GLU E   322                                                      
REMARK 465     ASP E   323                                                      
REMARK 465     LEU E   324                                                      
REMARK 465     GLU E   325                                                      
REMARK 465     GLY E   326                                                      
REMARK 465     GLY E   327                                                      
REMARK 465     GLY F   200                                                      
REMARK 465     ARG F   201                                                      
REMARK 465     SER F   202                                                      
REMARK 465     GLU F   322                                                      
REMARK 465     ASP F   323                                                      
REMARK 465     LEU F   324                                                      
REMARK 465     GLU F   325                                                      
REMARK 465     GLY F   326                                                      
REMARK 465     GLY F   327                                                      
REMARK 465     GLU G   322                                                      
REMARK 465     ASP G   323                                                      
REMARK 465     LEU G   324                                                      
REMARK 465     GLU G   325                                                      
REMARK 465     GLY G   326                                                      
REMARK 465     GLY G   327                                                      
REMARK 465     GLU H   322                                                      
REMARK 465     ASP H   323                                                      
REMARK 465     LEU H   324                                                      
REMARK 465     GLU H   325                                                      
REMARK 465     GLY H   326                                                      
REMARK 465     GLY H   327                                                      
REMARK 465     GLU I   322                                                      
REMARK 465     ASP I   323                                                      
REMARK 465     LEU I   324                                                      
REMARK 465     GLU I   325                                                      
REMARK 465     GLY I   326                                                      
REMARK 465     GLY I   327                                                      
REMARK 465     GLU J   322                                                      
REMARK 465     ASP J   323                                                      
REMARK 465     LEU J   324                                                      
REMARK 465     GLU J   325                                                      
REMARK 465     GLY J   326                                                      
REMARK 465     GLY J   327                                                      
REMARK 465     GLU K   322                                                      
REMARK 465     ASP K   323                                                      
REMARK 465     LEU K   324                                                      
REMARK 465     GLU K   325                                                      
REMARK 465     GLY K   326                                                      
REMARK 465     GLY K   327                                                      
REMARK 465     GLU L   322                                                      
REMARK 465     ASP L   323                                                      
REMARK 465     LEU L   324                                                      
REMARK 465     GLU L   325                                                      
REMARK 465     GLY L   326                                                      
REMARK 465     GLY L   327                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A 322    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 323    CG   OD1  OD2                                       
REMARK 470     ARG J 201    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS K 197    CG   CD   CE   NZ                                   
REMARK 470     ARG K 201    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS L 194    CG   CD   CE   NZ                                   
REMARK 470     LYS L 197    CG   CD   CE   NZ                                   
REMARK 470     ARG L 201    CG   CD   NE   CZ   NH1  NH2                        
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    ASP I   256     NH2  ARG I   263              2.05            
REMARK 500   O    LEU J   179     OG   SER J   183              2.05            
REMARK 500   OD1  ASP E   172     O    HOH E   501              2.16            
REMARK 500   O    LEU F   235     NH2  ARG G   248              2.17            
REMARK 500   O    HOH A   535     O    HOH A   558              2.17            
REMARK 500   NH2  ARG E   215     O    PHE E   319              2.18            
REMARK 500   NH1  ARG F   248     OG   SER G   245              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   NH2  ARG C   248     O    LEU D   235     1655     2.12            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A 172     -127.18     41.69                                   
REMARK 500    THR A 191     -154.73   -106.68                                   
REMARK 500    MET A 199      -70.87    -81.61                                   
REMARK 500    ARG A 201      -34.84    -36.91                                   
REMARK 500    GLU A 322      111.96    -36.61                                   
REMARK 500    ASP B 172     -127.59     43.47                                   
REMARK 500    THR B 191     -147.19   -105.15                                   
REMARK 500    SER B 202       37.20    -88.69                                   
REMARK 500    ASP C 172     -130.41     46.02                                   
REMARK 500    THR C 191     -167.33   -104.23                                   
REMARK 500    ASP D 172     -130.49     43.63                                   
REMARK 500    ASP E 172     -132.05     42.76                                   
REMARK 500    ARG E 201      -49.52     34.37                                   
REMARK 500    SER E 202       42.06   -100.29                                   
REMARK 500    ASP F 172     -129.87     43.40                                   
REMARK 500    ASP G 172     -128.23     43.22                                   
REMARK 500    ASP H 172     -129.40     43.97                                   
REMARK 500    MET H 199     -158.78    -81.59                                   
REMARK 500    SER H 202       40.23    -92.70                                   
REMARK 500    ASP I 172     -131.11     44.70                                   
REMARK 500    THR I 191     -146.32   -107.17                                   
REMARK 500    SER I 202       40.49     71.52                                   
REMARK 500    LYS I 238      -58.82   -121.55                                   
REMARK 500    ASP J 172     -130.50     42.44                                   
REMARK 500    THR J 191     -145.98   -106.10                                   
REMARK 500    ARG J 201      -40.67     56.35                                   
REMARK 500    ASP K 172     -133.18     44.09                                   
REMARK 500    ARG K 201        1.56     48.21                                   
REMARK 500    SER K 202       38.08   -168.37                                   
REMARK 500    ASP L 172     -129.29     44.49                                   
REMARK 500    THR L 191     -147.89   -106.66                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 A 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 B 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 C 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 D 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 E 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 F 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 G 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 H 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 I 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 J 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 K 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 4M7 L 400                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4HW2   RELATED DB: PDB                                   
REMARK 900 SAME PROTEIN                                                         
REMARK 900 RELATED ID: 4ZBI   RELATED DB: PDB                                   
DBREF  4ZBF A  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF B  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF C  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF D  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF E  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF F  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF G  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF H  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF I  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF J  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF K  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
DBREF  4ZBF L  172   327  UNP    Q07820   MCL1_HUMAN     172    327             
SEQADV 4ZBF GLY A  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY B  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY C  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY D  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY E  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY F  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY G  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY H  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY I  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY J  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY K  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 4ZBF GLY L  171  UNP  Q07820              EXPRESSION TAG                 
SEQRES   1 A  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 A  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 A  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 A  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 A  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 A  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 A  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 A  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 A  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 A  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 A  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 A  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 A  157  GLY                                                          
SEQRES   1 B  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 B  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 B  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 B  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 B  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 B  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 B  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 B  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 B  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 B  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 B  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 B  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 B  157  GLY                                                          
SEQRES   1 C  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 C  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 C  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 C  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 C  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 C  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 C  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 C  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 C  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 C  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 C  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 C  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 C  157  GLY                                                          
SEQRES   1 D  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 D  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 D  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 D  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 D  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 D  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 D  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 D  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 D  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 D  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 D  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 D  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 D  157  GLY                                                          
SEQRES   1 E  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 E  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 E  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 E  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 E  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 E  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 E  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 E  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 E  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 E  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 E  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 E  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 E  157  GLY                                                          
SEQRES   1 F  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 F  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 F  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 F  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 F  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 F  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 F  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 F  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 F  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 F  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 F  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 F  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 F  157  GLY                                                          
SEQRES   1 G  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 G  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 G  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 G  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 G  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 G  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 G  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 G  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 G  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 G  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 G  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 G  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 G  157  GLY                                                          
SEQRES   1 H  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 H  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 H  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 H  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 H  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 H  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 H  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 H  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 H  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 H  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 H  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 H  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 H  157  GLY                                                          
SEQRES   1 I  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 I  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 I  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 I  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 I  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 I  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 I  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 I  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 I  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 I  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 I  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 I  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 I  157  GLY                                                          
SEQRES   1 J  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 J  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 J  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 J  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 J  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 J  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 J  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 J  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 J  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 J  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 J  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 J  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 J  157  GLY                                                          
SEQRES   1 K  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 K  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 K  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 K  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 K  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 K  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 K  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 K  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 K  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 K  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 K  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 K  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 K  157  GLY                                                          
SEQRES   1 L  157  GLY ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER          
SEQRES   2 L  157  ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR          
SEQRES   3 L  157  LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA          
SEQRES   4 L  157  LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG          
SEQRES   5 L  157  ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU          
SEQRES   6 L  157  ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG          
SEQRES   7 L  157  VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP          
SEQRES   8 L  157  GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL          
SEQRES   9 L  157  ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE          
SEQRES  10 L  157  GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG          
SEQRES  11 L  157  THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP          
SEQRES  12 L  157  GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY          
SEQRES  13 L  157  GLY                                                          
HET    4M7  A 400      31                                                       
HET    4M7  B 400      31                                                       
HET    4M7  C 400      31                                                       
HET    4M7  D 400      31                                                       
HET    4M7  E 400      31                                                       
HET    4M7  F 400      31                                                       
HET    4M7  G 400      31                                                       
HET    4M7  H 400      31                                                       
HET    4M7  I 400      31                                                       
HET    4M7  J 400      31                                                       
HET    4M7  K 400      31                                                       
HET    4M7  L 400      31                                                       
HETNAM     4M7 (1R)-7-[3-(NAPHTHALEN-1-YLOXY)PROPYL]-3,4-DIHYDRO-2H-            
HETNAM   2 4M7  [1,4]THIAZEPINO[2,3,4-HI]INDOLE-6-CARBOXYLIC ACID 1-            
HETNAM   3 4M7  OXIDE                                                           
FORMUL  13  4M7    12(C25 H23 N O4 S)                                           
FORMUL  25  HOH   *347(H2 O)                                                    
HELIX    1 AA1 GLY A  171  THR A  191  1                                  21    
HELIX    2 AA2 SER A  202  HIS A  224  1                                  23    
HELIX    3 AA3 HIS A  224  ASP A  236  1                                  13    
HELIX    4 AA4 ASN A  239  SER A  245  1                                   7    
HELIX    5 AA5 LEU A  246  SER A  255  1                                  10    
HELIX    6 AA6 ASN A  260  ILE A  281  1                                  22    
HELIX    7 AA7 GLN A  283  SER A  285  5                                   3    
HELIX    8 AA8 CYS A  286  GLN A  309  1                                  24    
HELIX    9 AA9 ARG A  310  PHE A  319  1                                  10    
HELIX   10 AB1 ASP B  172  THR B  191  1                                  20    
HELIX   11 AB2 SER B  202  HIS B  224  1                                  23    
HELIX   12 AB3 HIS B  224  ASP B  236  1                                  13    
HELIX   13 AB4 ASN B  239  LYS B  244  1                                   6    
HELIX   14 AB5 LEU B  246  SER B  255  1                                  10    
HELIX   15 AB6 ASN B  260  ILE B  281  1                                  22    
HELIX   16 AB7 GLN B  283  SER B  285  5                                   3    
HELIX   17 AB8 CYS B  286  GLN B  309  1                                  24    
HELIX   18 AB9 ARG B  310  PHE B  319  1                                  10    
HELIX   19 AC1 ASP C  172  THR C  191  1                                  20    
HELIX   20 AC2 ALA C  204  HIS C  224  1                                  21    
HELIX   21 AC3 HIS C  224  ASP C  236  1                                  13    
HELIX   22 AC4 ASN C  239  SER C  245  1                                   7    
HELIX   23 AC5 LEU C  246  SER C  255  1                                  10    
HELIX   24 AC6 ASN C  260  ILE C  281  1                                  22    
HELIX   25 AC7 GLN C  283  SER C  285  5                                   3    
HELIX   26 AC8 CYS C  286  GLN C  309  1                                  24    
HELIX   27 AC9 ARG C  310  PHE C  319  1                                  10    
HELIX   28 AD1 ASP D  172  GLY D  192  1                                  21    
HELIX   29 AD2 ALA D  204  HIS D  224  1                                  21    
HELIX   30 AD3 HIS D  224  ASP D  236  1                                  13    
HELIX   31 AD4 ASN D  239  SER D  245  1                                   7    
HELIX   32 AD5 LEU D  246  SER D  255  1                                  10    
HELIX   33 AD6 ASN D  260  ILE D  281  1                                  22    
HELIX   34 AD7 GLN D  283  SER D  285  5                                   3    
HELIX   35 AD8 CYS D  286  GLN D  309  1                                  24    
HELIX   36 AD9 ARG D  310  PHE D  319  1                                  10    
HELIX   37 AE1 ASP E  172  GLY E  192  1                                  21    
HELIX   38 AE2 SER E  202  HIS E  224  1                                  23    
HELIX   39 AE3 HIS E  224  ASP E  236  1                                  13    
HELIX   40 AE4 ASN E  239  SER E  245  1                                   7    
HELIX   41 AE5 LEU E  246  SER E  255  1                                  10    
HELIX   42 AE6 ASN E  260  ILE E  281  1                                  22    
HELIX   43 AE7 GLN E  283  SER E  285  5                                   3    
HELIX   44 AE8 CYS E  286  GLN E  309  1                                  24    
HELIX   45 AE9 ARG E  310  PHE E  319  1                                  10    
HELIX   46 AF1 ASP F  172  GLY F  192  1                                  21    
HELIX   47 AF2 ALA F  204  HIS F  224  1                                  21    
HELIX   48 AF3 HIS F  224  ASP F  236  1                                  13    
HELIX   49 AF4 ASN F  239  SER F  245  1                                   7    
HELIX   50 AF5 LEU F  246  SER F  255  1                                  10    
HELIX   51 AF6 ASN F  260  ILE F  281  1                                  22    
HELIX   52 AF7 GLN F  283  SER F  285  5                                   3    
HELIX   53 AF8 CYS F  286  GLN F  309  1                                  24    
HELIX   54 AF9 ARG F  310  PHE F  319  1                                  10    
HELIX   55 AG1 ASP G  172  GLY G  192  1                                  21    
HELIX   56 AG2 SER G  202  HIS G  224  1                                  23    
HELIX   57 AG3 HIS G  224  ASP G  236  1                                  13    
HELIX   58 AG4 ASN G  239  SER G  245  1                                   7    
HELIX   59 AG5 LEU G  246  SER G  255  1                                  10    
HELIX   60 AG6 ASN G  260  ILE G  281  1                                  22    
HELIX   61 AG7 GLN G  283  SER G  285  5                                   3    
HELIX   62 AG8 CYS G  286  GLN G  309  1                                  24    
HELIX   63 AG9 ARG G  310  PHE G  319  1                                  10    
HELIX   64 AH1 ASP H  172  GLY H  192  1                                  21    
HELIX   65 AH2 SER H  202  HIS H  224  1                                  23    
HELIX   66 AH3 HIS H  224  ASP H  236  1                                  13    
HELIX   67 AH4 ASN H  239  SER H  245  1                                   7    
HELIX   68 AH5 LEU H  246  SER H  255  1                                  10    
HELIX   69 AH6 ASN H  260  ILE H  281  1                                  22    
HELIX   70 AH7 GLN H  283  SER H  285  5                                   3    
HELIX   71 AH8 CYS H  286  GLN H  309  1                                  24    
HELIX   72 AH9 ARG H  310  PHE H  319  1                                  10    
HELIX   73 AI1 ASP I  172  THR I  191  1                                  20    
HELIX   74 AI2 SER I  202  HIS I  224  1                                  23    
HELIX   75 AI3 HIS I  224  ASP I  236  1                                  13    
HELIX   76 AI4 ASN I  239  SER I  245  1                                   7    
HELIX   77 AI5 LEU I  246  SER I  255  1                                  10    
HELIX   78 AI6 ASN I  260  ILE I  281  1                                  22    
HELIX   79 AI7 GLN I  283  SER I  285  5                                   3    
HELIX   80 AI8 CYS I  286  GLN I  309  1                                  24    
HELIX   81 AI9 ARG I  310  PHE I  319  1                                  10    
HELIX   82 AJ1 ASP J  172  THR J  191  1                                  20    
HELIX   83 AJ2 SER J  202  HIS J  224  1                                  23    
HELIX   84 AJ3 HIS J  224  ASP J  236  1                                  13    
HELIX   85 AJ4 ASN J  239  SER J  245  1                                   7    
HELIX   86 AJ5 LEU J  246  SER J  255  1                                  10    
HELIX   87 AJ6 ASN J  260  ILE J  281  1                                  22    
HELIX   88 AJ7 GLN J  283  SER J  285  5                                   3    
HELIX   89 AJ8 CYS J  286  LYS J  302  1                                  17    
HELIX   90 AJ9 LYS J  302  GLN J  309  1                                   8    
HELIX   91 AK1 ARG J  310  PHE J  319  1                                  10    
HELIX   92 AK2 ASP K  172  GLY K  192  1                                  21    
HELIX   93 AK3 SER K  202  HIS K  224  1                                  23    
HELIX   94 AK4 HIS K  224  ASP K  236  1                                  13    
HELIX   95 AK5 ASN K  239  SER K  245  1                                   7    
HELIX   96 AK6 LEU K  246  SER K  255  1                                  10    
HELIX   97 AK7 ASN K  260  ILE K  281  1                                  22    
HELIX   98 AK8 GLN K  283  SER K  285  5                                   3    
HELIX   99 AK9 CYS K  286  GLN K  309  1                                  24    
HELIX  100 AL1 ARG K  310  PHE K  319  1                                  10    
HELIX  101 AL2 ASP L  172  THR L  191  1                                  20    
HELIX  102 AL3 SER L  202  HIS L  224  1                                  23    
HELIX  103 AL4 HIS L  224  ASP L  236  1                                  13    
HELIX  104 AL5 ASN L  239  SER L  245  1                                   7    
HELIX  105 AL6 LEU L  246  SER L  255  1                                  10    
HELIX  106 AL7 ASN L  260  ILE L  281  1                                  22    
HELIX  107 AL8 GLN L  283  SER L  285  5                                   3    
HELIX  108 AL9 CYS L  286  GLN L  309  1                                  24    
HELIX  109 AM1 ARG L  310  PHE L  319  1                                  10    
CISPEP   1 GLY L  200    ARG L  201          0        -2.47                     
SITE     1 AC1 10 PHE A 228  MET A 231  LEU A 235  VAL A 253                    
SITE     2 AC1 10 ARG A 263  THR A 266  LEU A 267  PHE A 270                    
SITE     3 AC1 10 GLY A 271  ILE A 294                                          
SITE     1 AC2  8 PHE B 228  PHE B 254  ARG B 263  THR B 266                    
SITE     2 AC2  8 LEU B 267  PHE B 270  ILE B 294  HOH B 519                    
SITE     1 AC3  8 PHE C 228  LEU C 235  MET C 250  PHE C 254                    
SITE     2 AC3  8 ARG C 263  LEU C 267  PHE C 270  ILE C 294                    
SITE     1 AC4  8 MET D 250  VAL D 253  ARG D 263  THR D 266                    
SITE     2 AC4  8 LEU D 267  PHE D 270  GLY D 271  HOH D 504                    
SITE     1 AC5 11 ALA E 227  MET E 231  LEU E 235  MET E 250                    
SITE     2 AC5 11 VAL E 253  ARG E 263  THR E 266  LEU E 267                    
SITE     3 AC5 11 PHE E 270  GLY E 271  ILE E 294                               
SITE     1 AC6  8 LEU F 235  MET F 250  VAL F 253  ARG F 263                    
SITE     2 AC6  8 THR F 266  LEU F 267  PHE F 270  GLY F 271                    
SITE     1 AC7  7 ALA G 227  LEU G 235  VAL G 253  PHE G 254                    
SITE     2 AC7  7 ARG G 263  LEU G 267  PHE G 270                               
SITE     1 AC8 11 ALA H 227  PHE H 228  MET H 250  VAL H 253                    
SITE     2 AC8 11 PHE H 254  ARG H 263  THR H 266  LEU H 267                    
SITE     3 AC8 11 PHE H 270  GLY H 271  ILE H 294                               
SITE     1 AC9  7 ALA I 227  LEU I 235  ARG I 263  THR I 266                    
SITE     2 AC9  7 LEU I 267  PHE I 270  HOH I 505                               
SITE     1 AD1 10 GLU C 225  ALA J 227  MET J 231  LEU J 235                    
SITE     2 AD1 10 MET J 250  VAL J 253  ARG J 263  THR J 266                    
SITE     3 AD1 10 LEU J 267  PHE J 270                                          
SITE     1 AD2  8 PHE K 228  MET K 250  VAL K 253  ARG K 263                    
SITE     2 AD2  8 THR K 266  LEU K 267  PHE K 270  GLY K 271                    
SITE     1 AD3  9 MET L 250  VAL L 253  PHE L 254  ARG L 263                    
SITE     2 AD3  9 THR L 266  LEU L 267  PHE L 270  GLY L 271                    
SITE     3 AD3  9 ILE L 294                                                     
CRYST1   62.722  134.405  135.332  90.00 100.27  90.00 P 1 21 1     24          
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      0.015943  0.000000  0.002890        0.00000                         
SCALE2      0.000000  0.007440  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007510        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system