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Database: PDB
Entry: 4WNP
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HEADER    TRANSFERASE/TRANSFERASE INHIBITOR       14-OCT-14   4WNP              
TITLE     STRUCTURE OF ULK1 BOUND TO A POTENT INHIBITOR                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE ULK1;                      
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 FRAGMENT: UNP RESIDUES 1-283;                                        
COMPND   5 SYNONYM: AUTOPHAGY-RELATED PROTEIN 1 HOMOLOG,HATG1,UNC-51-LIKE KINASE
COMPND   6 1;                                                                   
COMPND   7 EC: 2.7.11.1;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: ULK1, KIAA0722;                                                
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    KINASE, AUTOPHAGY, INHIBITOR, TRANSFERASE-TRANSFERASE INHIBITOR       
KEYWDS   2 COMPLEX                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.B.LAZARUS,C.J.NOVOTNY,K.M.SHOKAT                                    
REVDAT   3   22-NOV-17 4WNP    1       SOURCE KEYWDS REMARK                     
REVDAT   2   28-JAN-15 4WNP    1       JRNL                                     
REVDAT   1   14-JAN-15 4WNP    0                                                
JRNL        AUTH   M.B.LAZARUS,C.J.NOVOTNY,K.M.SHOKAT                           
JRNL        TITL   STRUCTURE OF THE HUMAN AUTOPHAGY INITIATING KINASE ULK1 IN   
JRNL        TITL 2 COMPLEX WITH POTENT INHIBITORS.                              
JRNL        REF    ACS CHEM.BIOL.                V.  10   257 2015              
JRNL        REFN                   ESSN 1554-8937                               
JRNL        PMID   25551253                                                     
JRNL        DOI    10.1021/CB500835Z                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.88 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.9_1692)                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.88                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.02                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 94125                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.194                           
REMARK   3   R VALUE            (WORKING SET) : 0.192                           
REMARK   3   FREE R VALUE                     : 0.226                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.020                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 4721                            
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 46.0315 -  5.8378    0.98     3168   167  0.1788 0.1941        
REMARK   3     2  5.8378 -  4.6350    0.99     3072   164  0.1649 0.1701        
REMARK   3     3  4.6350 -  4.0495    0.99     3002   158  0.1483 0.1813        
REMARK   3     4  4.0495 -  3.6794    1.00     3005   178  0.1633 0.2046        
REMARK   3     5  3.6794 -  3.4158    1.00     3027   161  0.1834 0.2123        
REMARK   3     6  3.4158 -  3.2145    1.00     2989   155  0.1941 0.2321        
REMARK   3     7  3.2145 -  3.0535    1.00     2963   193  0.1874 0.2331        
REMARK   3     8  3.0535 -  2.9206    1.00     2976   150  0.1879 0.2253        
REMARK   3     9  2.9206 -  2.8082    1.00     3010   147  0.2022 0.2527        
REMARK   3    10  2.8082 -  2.7113    1.00     2937   168  0.2114 0.2486        
REMARK   3    11  2.7113 -  2.6265    1.00     3001   167  0.2072 0.2420        
REMARK   3    12  2.6265 -  2.5515    1.00     3001   150  0.2060 0.2428        
REMARK   3    13  2.5515 -  2.4843    1.00     2968   155  0.1938 0.2559        
REMARK   3    14  2.4843 -  2.4237    1.00     2990   136  0.2041 0.2670        
REMARK   3    15  2.4237 -  2.3686    1.00     2960   146  0.2071 0.2454        
REMARK   3    16  2.3686 -  2.3182    1.00     2969   163  0.2033 0.2560        
REMARK   3    17  2.3182 -  2.2718    1.00     2930   172  0.2064 0.2244        
REMARK   3    18  2.2718 -  2.2290    1.00     2952   157  0.2118 0.2497        
REMARK   3    19  2.2290 -  2.1891    1.00     2949   155  0.2109 0.2680        
REMARK   3    20  2.1891 -  2.1520    1.00     3000   148  0.2074 0.2353        
REMARK   3    21  2.1520 -  2.1173    1.00     2930   151  0.2154 0.2507        
REMARK   3    22  2.1173 -  2.0848    1.00     3002   127  0.2134 0.2404        
REMARK   3    23  2.0848 -  2.0541    1.00     2939   157  0.2316 0.2758        
REMARK   3    24  2.0541 -  2.0252    1.00     2937   166  0.2320 0.2803        
REMARK   3    25  2.0252 -  1.9978    1.00     2938   165  0.2493 0.2862        
REMARK   3    26  1.9978 -  1.9718    1.00     2972   123  0.2514 0.2755        
REMARK   3    27  1.9718 -  1.9472    1.00     2989   152  0.2584 0.3316        
REMARK   3    28  1.9472 -  1.9237    1.00     2926   164  0.2726 0.3036        
REMARK   3    29  1.9237 -  1.9014    1.00     2924   163  0.2785 0.3171        
REMARK   3    30  1.9014 -  1.8800    1.00     2978   163  0.2918 0.3429        
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)     : 0.220            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.590           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 43.41                          
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      :  0.008           9188                                  
REMARK   3   ANGLE     :  1.048          12406                                  
REMARK   3   CHIRALITY :  0.044           1345                                  
REMARK   3   PLANARITY :  0.004           1582                                  
REMARK   3   DIHEDRAL  : 15.806           3476                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 48                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 8:24)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  92.4568  50.1265  11.4297              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3840 T22:   0.2924                                     
REMARK   3      T33:   0.2985 T12:   0.0068                                     
REMARK   3      T13:   0.0183 T23:   0.0361                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0259 L22:   4.5271                                     
REMARK   3      L33:   2.0343 L12:  -0.8913                                     
REMARK   3      L13:   0.7794 L23:   1.6217                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0775 S12:  -0.0585 S13:   0.3223                       
REMARK   3      S21:   0.2836 S22:   0.0605 S23:   0.4874                       
REMARK   3      S31:  -0.5832 S32:  -0.0124 S33:   0.0321                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 25:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  96.0293  47.5530  11.0579              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2231 T22:   0.2152                                     
REMARK   3      T33:   0.2042 T12:   0.0136                                     
REMARK   3      T13:   0.0923 T23:   0.0182                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9423 L22:   9.1132                                     
REMARK   3      L33:   7.4173 L12:   1.2917                                     
REMARK   3      L13:   2.7351 L23:   2.2929                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0077 S12:  -0.0607 S13:   0.1771                       
REMARK   3      S21:   0.4552 S22:  -0.0117 S23:   0.6244                       
REMARK   3      S31:  -0.0163 S32:  -0.3037 S33:  -0.0041                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 50:75)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 109.4115  50.9962   8.3347              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1686 T22:   0.1981                                     
REMARK   3      T33:   0.1662 T12:  -0.0074                                     
REMARK   3      T13:  -0.0024 T23:   0.0119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6565 L22:   7.6724                                     
REMARK   3      L33:   5.6487 L12:  -0.2085                                     
REMARK   3      L13:  -0.4486 L23:   2.4513                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0319 S12:  -0.0914 S13:   0.3414                       
REMARK   3      S21:  -0.2440 S22:  -0.0418 S23:   0.0419                       
REMARK   3      S31:  -0.3296 S32:   0.0862 S33:   0.0358                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 76:103)                             
REMARK   3    ORIGIN FOR THE GROUP (A): 102.2812  46.3224  10.2201              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2211 T22:   0.1662                                     
REMARK   3      T33:   0.1432 T12:  -0.0018                                     
REMARK   3      T13:   0.0292 T23:   0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3414 L22:   4.5533                                     
REMARK   3      L33:   4.0291 L12:  -0.6832                                     
REMARK   3      L13:   0.6124 L23:  -3.6537                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0007 S12:  -0.0372 S13:   0.0926                       
REMARK   3      S21:   0.0611 S22:  -0.0793 S23:   0.0307                       
REMARK   3      S31:  -0.0654 S32:   0.0884 S33:   0.0852                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 104:108)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 107.2262  32.5283  30.5619              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3096 T22:   0.2315                                     
REMARK   3      T33:   0.1514 T12:   0.0096                                     
REMARK   3      T13:  -0.0017 T23:   0.0176                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9748 L22:   2.0213                                     
REMARK   3      L33:   3.0828 L12:   0.3452                                     
REMARK   3      L13:  -2.9821 L23:  -0.7739                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0234 S12:  -0.3756 S13:  -0.3082                       
REMARK   3      S21:   1.1960 S22:   0.1814 S23:  -0.4066                       
REMARK   3      S31:   0.0614 S32:   0.2418 S33:  -0.1636                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 109:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 115.6443  35.5978  15.0120              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2407 T22:   0.1648                                     
REMARK   3      T33:   0.1276 T12:   0.0223                                     
REMARK   3      T13:   0.0282 T23:   0.0175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4089 L22:   4.0237                                     
REMARK   3      L33:   2.6372 L12:   1.0663                                     
REMARK   3      L13:  -0.8860 L23:  -2.3411                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0223 S12:  -0.0083 S13:  -0.1390                       
REMARK   3      S21:  -0.1281 S22:  -0.1702 S23:  -0.1974                       
REMARK   3      S31:   0.3174 S32:   0.2454 S33:   0.2349                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 148:157)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  98.9282  24.4417  17.0481              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8864 T22:   0.4813                                     
REMARK   3      T33:   0.5078 T12:  -0.0344                                     
REMARK   3      T13:   0.1492 T23:  -0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4528 L22:   0.9811                                     
REMARK   3      L33:   9.0114 L12:  -0.6741                                     
REMARK   3      L13:  -4.2086 L23:  -0.9921                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6212 S12:  -0.1837 S13:  -0.9411                       
REMARK   3      S21:   0.1568 S22:  -0.0817 S23:  -0.4126                       
REMARK   3      S31:   1.2261 S32:   0.3411 S33:   0.5453                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 158:166)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 109.0006  36.7645  12.9823              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1733 T22:   0.1423                                     
REMARK   3      T33:   0.1530 T12:   0.0201                                     
REMARK   3      T13:   0.0837 T23:   0.0069                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8985 L22:   9.8541                                     
REMARK   3      L33:   8.3177 L12:   4.5615                                     
REMARK   3      L13:  -1.3897 L23:  -7.8385                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0586 S12:   0.0649 S13:  -0.3323                       
REMARK   3      S21:  -0.0304 S22:  -0.0461 S23:  -0.1232                       
REMARK   3      S31:   0.5150 S32:  -0.0605 S33:   0.0943                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 167:217)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 124.3752  46.0701  17.9185              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1447 T22:   0.2152                                     
REMARK   3      T33:   0.1498 T12:   0.0204                                     
REMARK   3      T13:   0.0004 T23:   0.0433                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4506 L22:   4.3219                                     
REMARK   3      L33:   2.4240 L12:   0.5745                                     
REMARK   3      L13:   0.0269 L23:  -1.8550                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0155 S12:  -0.0059 S13:   0.0015                       
REMARK   3      S21:   0.2372 S22:  -0.1075 S23:  -0.1424                       
REMARK   3      S31:  -0.1081 S32:   0.2527 S33:   0.0573                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 218:223)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 120.7825  40.4785  32.8828              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4766 T22:   0.3204                                     
REMARK   3      T33:   0.2592 T12:   0.0203                                     
REMARK   3      T13:   0.1206 T23:  -0.0421                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.2077 L22:   2.8777                                     
REMARK   3      L33:   4.0896 L12:   1.6586                                     
REMARK   3      L13:   4.9677 L23:  -0.1115                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7547 S12:  -0.5351 S13:   0.3882                       
REMARK   3      S21:   1.8523 S22:  -0.7431 S23:   0.6127                       
REMARK   3      S31:  -0.3246 S32:  -0.7420 S33:  -0.0581                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 224:237)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 128.1534  49.6570  32.6388              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5692 T22:   0.3576                                     
REMARK   3      T33:   0.2706 T12:  -0.0722                                     
REMARK   3      T13:  -0.0418 T23:   0.0188                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.6400 L22:   9.4853                                     
REMARK   3      L33:   8.9888 L12:  -1.8522                                     
REMARK   3      L13:   0.3589 L23:   2.0567                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0343 S12:  -0.4054 S13:   0.4746                       
REMARK   3      S21:   1.1873 S22:   0.0322 S23:  -0.4147                       
REMARK   3      S31:  -1.0196 S32:   0.5579 S33:   0.1246                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 238:280)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 127.8696  31.3834  21.5747              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2247 T22:   0.2702                                     
REMARK   3      T33:   0.2462 T12:   0.1146                                     
REMARK   3      T13:   0.0426 T23:   0.0657                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8597 L22:   5.5193                                     
REMARK   3      L33:   5.2951 L12:   0.2607                                     
REMARK   3      L13:   0.4414 L23:  -0.9123                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0153 S12:   0.1433 S13:  -0.0047                       
REMARK   3      S21:  -0.2886 S22:  -0.0380 S23:  -0.3142                       
REMARK   3      S31:   0.3277 S32:   0.4654 S33:  -0.0154                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 8:19)                               
REMARK   3    ORIGIN FOR THE GROUP (A): 162.1303  49.6554  -7.8444              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4723 T22:   0.7717                                     
REMARK   3      T33:   1.6523 T12:  -0.0021                                     
REMARK   3      T13:   0.0603 T23:   0.4131                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1429 L22:   1.2582                                     
REMARK   3      L33:   1.4046 L12:   0.3578                                     
REMARK   3      L13:   0.3770 L23:   0.5630                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0778 S12:   0.2612 S13:  -0.0421                       
REMARK   3      S21:  -0.1246 S22:   0.1385 S23:  -0.6065                       
REMARK   3      S31:  -0.1917 S32:   0.4109 S33:   0.0195                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 20:59)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 154.2982  49.3871 -12.3860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4899 T22:   0.7819                                     
REMARK   3      T33:   1.1587 T12:   0.1894                                     
REMARK   3      T13:   0.3638 T23:   0.5238                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3450 L22:   0.9112                                     
REMARK   3      L33:   0.7405 L12:  -0.7853                                     
REMARK   3      L13:  -0.1057 L23:   0.6275                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1378 S12:   0.4430 S13:   0.2948                       
REMARK   3      S21:  -0.5160 S22:  -0.2795 S23:  -0.7772                       
REMARK   3      S31:  -0.0792 S32:   0.4690 S33:  -0.0181                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 60:77)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 142.7249  44.4359  -3.6088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2621 T22:   0.3692                                     
REMARK   3      T33:   0.5393 T12:   0.0928                                     
REMARK   3      T13:   0.1192 T23:   0.1447                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5860 L22:   7.0881                                     
REMARK   3      L33:   2.3785 L12:   1.1246                                     
REMARK   3      L13:  -0.5832 L23:  -1.4118                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1867 S12:   0.3980 S13:   0.6250                       
REMARK   3      S21:   0.0811 S22:  -0.0794 S23:   0.0118                       
REMARK   3      S31:  -0.2784 S32:  -0.0877 S33:  -0.1399                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 78:89)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 151.9806  53.9981  -3.5726              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3857 T22:   0.4754                                     
REMARK   3      T33:   1.0626 T12:   0.0411                                     
REMARK   3      T13:   0.1087 T23:   0.3712                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1765 L22:   6.2899                                     
REMARK   3      L33:   1.3890 L12:   1.0507                                     
REMARK   3      L13:  -0.0933 L23:  -0.2668                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1052 S12:   0.2078 S13:   0.3255                       
REMARK   3      S21:  -0.1692 S22:   0.0979 S23:  -0.2845                       
REMARK   3      S31:  -0.2603 S32:   0.0137 S33:  -0.1372                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 90:103)                             
REMARK   3    ORIGIN FOR THE GROUP (A): 150.4452  37.5918 -14.2132              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4838 T22:   0.6241                                     
REMARK   3      T33:   0.6281 T12:   0.3524                                     
REMARK   3      T13:   0.3254 T23:   0.2466                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1233 L22:   0.0746                                     
REMARK   3      L33:   0.0511 L12:  -0.2485                                     
REMARK   3      L13:  -0.1675 L23:   0.0590                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0110 S12:   0.2970 S13:  -0.0079                       
REMARK   3      S21:  -0.2822 S22:  -0.2386 S23:  -0.2781                       
REMARK   3      S31:   0.1094 S32:   0.0145 S33:   0.0517                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 104:112)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 143.1304  26.6391 -25.3846              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0080 T22:   1.1853                                     
REMARK   3      T33:   0.5831 T12:   0.6635                                     
REMARK   3      T13:   0.2125 T23:   0.0608                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7400 L22:   1.9331                                     
REMARK   3      L33:   3.3026 L12:   0.9493                                     
REMARK   3      L13:  -1.0212 L23:  -0.1442                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1675 S12:   0.2113 S13:   0.1732                       
REMARK   3      S21:  -0.1629 S22:   0.1046 S23:  -0.2532                       
REMARK   3      S31:  -0.2077 S32:   0.1987 S33:  -0.1864                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 113:150)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 138.4129  34.8486 -10.8974              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4119 T22:   0.4016                                     
REMARK   3      T33:   0.3075 T12:   0.2047                                     
REMARK   3      T13:   0.1897 T23:   0.1073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7546 L22:   0.3047                                     
REMARK   3      L33:   0.8731 L12:  -0.4791                                     
REMARK   3      L13:  -0.6428 L23:   0.4188                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2552 S12:   0.5188 S13:  -0.0574                       
REMARK   3      S21:  -0.4853 S22:  -0.4218 S23:  -0.3473                       
REMARK   3      S31:   0.4720 S32:   0.1557 S33:   0.1747                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 151:157)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 154.7142  23.9757 -14.8857              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8135 T22:   0.8935                                     
REMARK   3      T33:   0.9663 T12:   0.1762                                     
REMARK   3      T13:   0.1429 T23:  -0.2749                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6904 L22:   1.4647                                     
REMARK   3      L33:   1.1203 L12:  -0.0140                                     
REMARK   3      L13:   0.7922 L23:  -0.1056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4407 S12:  -0.0485 S13:  -0.0903                       
REMARK   3      S21:  -0.4581 S22:   0.2663 S23:  -0.6938                       
REMARK   3      S31:   0.1366 S32:   0.3974 S33:   0.1138                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 158:220)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 131.0037  42.2980 -16.1088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4251 T22:   0.4776                                     
REMARK   3      T33:   0.2915 T12:   0.1794                                     
REMARK   3      T13:   0.0935 T23:   0.0920                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9291 L22:   1.0979                                     
REMARK   3      L33:   1.1678 L12:  -0.4295                                     
REMARK   3      L13:   0.0380 L23:  -0.3772                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3569 S12:   0.5190 S13:   0.0383                       
REMARK   3      S21:  -0.5748 S22:  -0.3409 S23:  -0.2172                       
REMARK   3      S31:   0.1488 S32:   0.0777 S33:  -0.0622                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 221:237)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 125.1346  43.9705 -31.4363              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0696 T22:   1.2284                                     
REMARK   3      T33:   0.4162 T12:   0.2820                                     
REMARK   3      T13:  -0.0103 T23:   0.1065                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0086 L22:   3.2934                                     
REMARK   3      L33:   3.6379 L12:   0.5251                                     
REMARK   3      L13:   0.1691 L23:  -0.2015                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0005 S12:   0.2721 S13:   0.2619                       
REMARK   3      S21:  -0.6908 S22:   0.1205 S23:  -0.0193                       
REMARK   3      S31:  -0.6816 S32:   0.2061 S33:  -0.0242                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 238:251)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 126.6146  24.6309 -25.8498              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9345 T22:   0.9054                                     
REMARK   3      T33:   0.5213 T12:   0.2225                                     
REMARK   3      T13:  -0.1378 T23:  -0.2501                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3024 L22:   2.2871                                     
REMARK   3      L33:   4.9080 L12:   0.8220                                     
REMARK   3      L13:  -0.1948 L23:  -1.0524                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2852 S12:   0.1725 S13:  -0.1414                       
REMARK   3      S21:  -1.2535 S22:  -0.0492 S23:  -0.1459                       
REMARK   3      S31:   0.6482 S32:   0.1336 S33:  -0.1506                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 252:280)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 124.5659  30.5594 -14.1015              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5009 T22:   0.4558                                     
REMARK   3      T33:   0.3504 T12:   0.0631                                     
REMARK   3      T13:  -0.0108 T23:  -0.0790                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0322 L22:   7.8659                                     
REMARK   3      L33:   9.1148 L12:  -0.5192                                     
REMARK   3      L13:  -1.6708 L23:   0.2052                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1170 S12:   0.1469 S13:  -0.1137                       
REMARK   3      S21:  -0.1425 S22:  -0.4900 S23:   0.4905                       
REMARK   3      S31:   0.9303 S32:  -0.4018 S33:   0.2975                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 8:20)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  85.0094   7.5254 -34.6663              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7427 T22:   0.5803                                     
REMARK   3      T33:   0.4989 T12:   0.0900                                     
REMARK   3      T13:   0.1610 T23:   0.0553                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7854 L22:   4.9483                                     
REMARK   3      L33:   5.8740 L12:   0.7224                                     
REMARK   3      L13:  -0.8117 L23:   0.6420                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1476 S12:   0.1972 S13:  -0.2302                       
REMARK   3      S21:  -0.8363 S22:   0.3335 S23:  -0.4358                       
REMARK   3      S31:   0.3086 S32:   0.5618 S33:  -0.1105                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 21:48)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  87.8657  10.7235 -29.4009              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4195 T22:   0.4223                                     
REMARK   3      T33:   0.6054 T12:  -0.0050                                     
REMARK   3      T13:   0.2610 T23:   0.0547                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0736 L22:   6.2354                                     
REMARK   3      L33:   7.1370 L12:  -0.9271                                     
REMARK   3      L13:   0.6297 L23:  -1.0262                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0139 S12:   0.4933 S13:   0.3695                       
REMARK   3      S21:  -0.6711 S22:   0.4065 S23:  -0.8252                       
REMARK   3      S31:  -0.2036 S32:   0.6037 S33:  -0.1200                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 49:73)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  84.5859   5.4467 -16.5844              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4079 T22:   0.2504                                     
REMARK   3      T33:   0.4801 T12:   0.0518                                     
REMARK   3      T13:   0.0874 T23:   0.0185                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2891 L22:   7.7390                                     
REMARK   3      L33:   4.0456 L12:  -0.0140                                     
REMARK   3      L13:  -0.3514 L23:  -0.1595                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3419 S12:  -0.0078 S13:   0.2426                       
REMARK   3      S21:   0.0465 S22:   0.2676 S23:  -0.3698                       
REMARK   3      S31:   0.1769 S32:   0.1231 S33:  -0.4626                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 74:103)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  85.8724  12.2545 -22.6959              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3613 T22:   0.2336                                     
REMARK   3      T33:   0.5109 T12:   0.0712                                     
REMARK   3      T13:   0.3530 T23:   0.0146                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4640 L22:   0.4040                                     
REMARK   3      L33:   0.5562 L12:   0.3234                                     
REMARK   3      L13:   0.3603 L23:   0.0286                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2535 S12:   0.0613 S13:   0.3184                       
REMARK   3      S21:  -0.2189 S22:   0.2040 S23:  -0.0357                       
REMARK   3      S31:  -0.1389 S32:   0.0648 S33:   0.1262                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 104:113)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 103.6191  29.1687 -14.7662              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6766 T22:   0.4099                                     
REMARK   3      T33:   0.7731 T12:  -0.2730                                     
REMARK   3      T13:   0.6367 T23:  -0.1300                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6911 L22:   1.8603                                     
REMARK   3      L33:   1.4017 L12:  -0.2080                                     
REMARK   3      L13:  -0.7566 L23:   1.0183                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0867 S12:  -0.1757 S13:   0.0652                       
REMARK   3      S21:  -0.0287 S22:  -0.0325 S23:  -0.1814                       
REMARK   3      S31:  -0.1768 S32:   0.2165 S33:  -0.1459                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 114:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  88.8097  20.6443  -9.4326              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4688 T22:   0.2505                                     
REMARK   3      T33:   0.6363 T12:   0.0382                                     
REMARK   3      T13:   0.6412 T23:  -0.0965                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0523 L22:   0.7383                                     
REMARK   3      L33:   0.0564 L12:  -0.0580                                     
REMARK   3      L13:   0.0510 L23:  -0.1193                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3145 S12:   0.0646 S13:   0.4955                       
REMARK   3      S21:   0.1835 S22:   0.1374 S23:   0.1086                       
REMARK   3      S31:  -0.5960 S32:  -0.0209 S33:  -0.1575                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 148:156)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  92.6436  33.3721 -27.7564              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2497 T22:   0.7316                                     
REMARK   3      T33:   1.0458 T12:   0.2938                                     
REMARK   3      T13:   0.5442 T23:   0.2917                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1504 L22:   1.5928                                     
REMARK   3      L33:   1.9224 L12:   1.5101                                     
REMARK   3      L13:   0.6101 L23:   0.7965                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1345 S12:   0.2064 S13:   0.5536                       
REMARK   3      S21:   0.8034 S22:  -0.2600 S23:   0.0122                       
REMARK   3      S31:   0.5415 S32:  -0.5499 S33:   0.0881                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 157:182)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  86.4989  12.0257  -5.8667              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3130 T22:   0.1993                                     
REMARK   3      T33:   0.4449 T12:  -0.0075                                     
REMARK   3      T13:   0.2338 T23:  -0.0000                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2267 L22:   2.6209                                     
REMARK   3      L33:   2.0551 L12:   0.7453                                     
REMARK   3      L13:   0.1619 L23:  -1.7777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4623 S12:   0.0686 S13:   0.4796                       
REMARK   3      S21:  -0.1512 S22:   0.0809 S23:  -0.0709                       
REMARK   3      S31:  -0.6304 S32:   0.1627 S33:  -0.2395                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 183:221)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  98.9169  15.1735  -2.4182              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4841 T22:   0.5047                                     
REMARK   3      T33:   0.4650 T12:  -0.1922                                     
REMARK   3      T13:   0.2158 T23:  -0.2126                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8652 L22:   4.1672                                     
REMARK   3      L33:   1.1606 L12:   1.7568                                     
REMARK   3      L13:  -0.6488 L23:  -1.8035                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4312 S12:  -0.4472 S13:   0.1531                       
REMARK   3      S21:   0.0943 S22:  -0.0589 S23:  -0.3160                       
REMARK   3      S31:  -0.4868 S32:   0.9296 S33:  -0.1942                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 222:231)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 109.1327   7.2573  -1.8227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6046 T22:   1.0739                                     
REMARK   3      T33:   0.5772 T12:  -0.1335                                     
REMARK   3      T13:   0.1734 T23:  -0.1178                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8293 L22:   6.6880                                     
REMARK   3      L33:   5.8057 L12:  -1.2620                                     
REMARK   3      L13:   1.4852 L23:   2.8000                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5706 S12:   0.1423 S13:   0.0482                       
REMARK   3      S21:  -0.8142 S22:   0.5005 S23:  -0.9763                       
REMARK   3      S31:   0.4610 S32:   0.9391 S33:   0.1161                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 232:251)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 106.7429  22.4394   3.2059              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6902 T22:   0.7772                                     
REMARK   3      T33:   0.5293 T12:  -0.3169                                     
REMARK   3      T13:   0.0925 T23:  -0.1703                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4349 L22:   2.0648                                     
REMARK   3      L33:   0.1416 L12:  -0.0101                                     
REMARK   3      L13:  -0.2401 L23:   0.1201                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1459 S12:  -0.5461 S13:   0.0098                       
REMARK   3      S21:   0.4269 S22:   0.0705 S23:  -0.3350                       
REMARK   3      S31:  -0.2119 S32:   0.4702 S33:  -0.0693                       
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 252:279)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  93.6384  24.5518   3.7002              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7903 T22:   0.5796                                     
REMARK   3      T33:   0.7952 T12:  -0.3164                                     
REMARK   3      T13:   0.4173 T23:  -0.3106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8735 L22:   1.3235                                     
REMARK   3      L33:   1.2277 L12:   0.0001                                     
REMARK   3      L13:   0.5001 L23:  -0.9190                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1528 S12:  -0.3148 S13:   0.1721                       
REMARK   3      S21:   0.7201 S22:  -0.1680 S23:   0.5257                       
REMARK   3      S31:  -0.2809 S32:  -0.1921 S33:   0.1249                       
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 8:21)                               
REMARK   3    ORIGIN FOR THE GROUP (A): 167.6321   6.6856  35.1277              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8620 T22:   0.3728                                     
REMARK   3      T33:   0.3425 T12:  -0.1567                                     
REMARK   3      T13:  -0.0183 T23:   0.0097                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4977 L22:   6.2025                                     
REMARK   3      L33:   3.8157 L12:   1.6251                                     
REMARK   3      L13:  -0.8996 L23:  -0.3374                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1364 S12:  -0.4430 S13:  -0.2071                       
REMARK   3      S21:   1.1126 S22:  -0.1359 S23:   0.3328                       
REMARK   3      S31:   1.2050 S32:  -0.3508 S33:  -0.0090                       
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 22:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 165.5023   9.3579  30.1591              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5277 T22:   0.2951                                     
REMARK   3      T33:   0.2281 T12:  -0.0754                                     
REMARK   3      T13:   0.0287 T23:   0.0259                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6858 L22:   4.2809                                     
REMARK   3      L33:   5.1410 L12:   0.2824                                     
REMARK   3      L13:  -0.1149 L23:   2.4360                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1618 S12:  -0.4320 S13:  -0.1385                       
REMARK   3      S21:   1.0216 S22:  -0.0436 S23:   0.2123                       
REMARK   3      S31:   0.2164 S32:  -0.2838 S33:  -0.0968                       
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 50:76)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 168.4017   6.6154  17.1179              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2009 T22:   0.2016                                     
REMARK   3      T33:   0.1736 T12:  -0.0088                                     
REMARK   3      T13:  -0.0165 T23:  -0.0247                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5593 L22:   8.3230                                     
REMARK   3      L33:   4.8005 L12:   0.6663                                     
REMARK   3      L13:  -0.0323 L23:  -0.8426                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1294 S12:   0.0426 S13:  -0.1212                       
REMARK   3      S21:  -0.1388 S22:   0.1474 S23:   0.1574                       
REMARK   3      S31:   0.4709 S32:  -0.0592 S33:  -0.2417                       
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 77:91)                              
REMARK   3    ORIGIN FOR THE GROUP (A): 172.6538   3.5510  24.7286              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2943 T22:   0.2655                                     
REMARK   3      T33:   0.2494 T12:  -0.0782                                     
REMARK   3      T13:   0.0037 T23:   0.0060                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3327 L22:   2.0707                                     
REMARK   3      L33:   6.0490 L12:  -0.9627                                     
REMARK   3      L13:   0.1641 L23:  -3.2492                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1090 S12:  -0.2015 S13:  -0.3498                       
REMARK   3      S21:   0.4717 S22:  -0.0347 S23:   0.1098                       
REMARK   3      S31:   0.1417 S32:  -0.2621 S33:  -0.1108                       
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 92:103)                             
REMARK   3    ORIGIN FOR THE GROUP (A): 159.8540  19.4097  23.9821              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4044 T22:   0.3973                                     
REMARK   3      T33:   0.2508 T12:   0.0289                                     
REMARK   3      T13:   0.1346 T23:  -0.0173                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2050 L22:   1.2746                                     
REMARK   3      L33:   3.2695 L12:  -1.1180                                     
REMARK   3      L13:   1.8157 L23:  -0.7470                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0551 S12:  -0.2849 S13:  -0.1000                       
REMARK   3      S21:   0.5268 S22:   0.1981 S23:   0.2351                       
REMARK   3      S31:  -0.0727 S32:  -0.7458 S33:  -0.0275                       
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 104:113)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 149.4136  28.3317  16.9823              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4462 T22:   0.5141                                     
REMARK   3      T33:   0.4191 T12:   0.1623                                     
REMARK   3      T13:   0.2022 T23:  -0.1565                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6056 L22:   4.9914                                     
REMARK   3      L33:   2.6467 L12:  -0.0889                                     
REMARK   3      L13:   0.4518 L23:  -0.8168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1650 S12:  -0.3003 S13:   0.3255                       
REMARK   3      S21:   0.3429 S22:  -0.1222 S23:   0.6271                       
REMARK   3      S31:  -0.4982 S32:  -0.7886 S33:  -0.1732                       
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 114:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 163.8781  20.1037  10.8472              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1443 T22:   0.2083                                     
REMARK   3      T33:   0.1952 T12:   0.0067                                     
REMARK   3      T13:   0.0729 T23:  -0.0273                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0465 L22:   5.1039                                     
REMARK   3      L33:   3.5574 L12:  -0.6142                                     
REMARK   3      L13:  -0.3260 L23:   1.4117                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0906 S12:  -0.1357 S13:   0.2820                       
REMARK   3      S21:   0.0362 S22:  -0.0477 S23:   0.2557                       
REMARK   3      S31:  -0.3050 S32:  -0.2058 S33:  -0.1592                       
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 148:158)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 160.4889  32.1002  27.8864              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9490 T22:   0.9412                                     
REMARK   3      T33:   0.7518 T12:   0.0144                                     
REMARK   3      T13:   0.3306 T23:   0.0005                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0744 L22:   2.8960                                     
REMARK   3      L33:   3.0903 L12:   0.3810                                     
REMARK   3      L13:  -0.0625 L23:   2.8990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4276 S12:  -0.4083 S13:  -0.3219                       
REMARK   3      S21:   1.3537 S22:  -0.1171 S23:   1.0689                       
REMARK   3      S31:  -0.3251 S32:  -0.7280 S33:  -0.2495                       
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 159:217)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 159.7947  12.5957   4.4995              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1354 T22:   0.1931                                     
REMARK   3      T33:   0.1820 T12:   0.0032                                     
REMARK   3      T13:   0.0651 T23:   0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7646 L22:   3.5296                                     
REMARK   3      L33:   2.0613 L12:  -0.8676                                     
REMARK   3      L13:   0.1786 L23:   1.0623                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1626 S12:   0.0629 S13:  -0.0255                       
REMARK   3      S21:  -0.0617 S22:  -0.1067 S23:   0.2761                       
REMARK   3      S31:  -0.1162 S32:  -0.3037 S33:  -0.0322                       
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 218:223)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 144.2094  16.7848   6.4227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4869 T22:   0.6035                                     
REMARK   3      T33:   0.5813 T12:  -0.0291                                     
REMARK   3      T13:   0.1801 T23:   0.0474                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6428 L22:   5.4432                                     
REMARK   3      L33:   7.4554 L12:  -1.1582                                     
REMARK   3      L13:   1.3129 L23:   5.2197                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.9434 S12:  -0.1729 S13:   0.2540                       
REMARK   3      S21:   1.3755 S22:  -0.5779 S23:   1.3601                       
REMARK   3      S31:   0.5461 S32:  -1.7572 S33:  -0.3895                       
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 224:239)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 144.5054   9.4790  -2.2424              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3015 T22:   0.6137                                     
REMARK   3      T33:   0.6375 T12:  -0.0387                                     
REMARK   3      T13:  -0.0331 T23:  -0.0554                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7655 L22:   6.9497                                     
REMARK   3      L33:   5.5563 L12:   1.2487                                     
REMARK   3      L13:  -0.8209 L23:  -2.9219                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1644 S12:  -0.0956 S13:  -0.0923                       
REMARK   3      S21:  -0.3320 S22:  -0.0028 S23:   1.1509                       
REMARK   3      S31:   0.4437 S32:  -0.6558 S33:  -0.1853                       
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    SELECTION: (CHAIN D AND RESID 240:280)                            
REMARK   3    ORIGIN FOR THE GROUP (A): 155.9726  26.5755  -0.5548              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2804 T22:   0.2697                                     
REMARK   3      T33:   0.2663 T12:   0.1115                                     
REMARK   3      T13:   0.0601 T23:   0.0507                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1590 L22:   5.1940                                     
REMARK   3      L33:   3.9293 L12:   0.0389                                     
REMARK   3      L13:   0.1810 L23:  -0.0468                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0777 S12:   0.1211 S13:   0.1421                       
REMARK   3      S21:  -0.3928 S22:  -0.0623 S23:  -0.2059                       
REMARK   3      S31:  -0.3166 S32:  -0.1042 S33:   0.0312                       
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 4WNP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-OCT-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000204150.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-AUG-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.2.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.99995                            
REMARK 200  MONOCHROMATOR                  : SI (111)                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 94168                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.880                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 46.020                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 4.200                              
REMARK 200  R MERGE                    (I) : 0.07700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.4000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.88                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.98                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.80100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
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   (%): 44.68                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.22                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.55 M SODIUM MALONATE PH 7.0, 0.35 M    
REMARK 280  SODIUM MALONATE PH 5.0, VAPOR DIFFUSION, HANGING DROP,              
REMARK 280  TEMPERATURE 298K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       50.31500            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       50.31500            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    -3                                                      
REMARK 465     GLY A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     GLU A     2                                                      
REMARK 465     PRO A     3                                                      
REMARK 465     GLY A     4                                                      
REMARK 465     ARG A     5                                                      
REMARK 465     GLY A     6                                                      
REMARK 465     SER A   281                                                      
REMARK 465     PRO A   282                                                      
REMARK 465     SER A   283                                                      
REMARK 465     GLY B    -3                                                      
REMARK 465     GLY B    -2                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     GLU B     2                                                      
REMARK 465     PRO B     3                                                      
REMARK 465     GLY B     4                                                      
REMARK 465     ARG B     5                                                      
REMARK 465     GLY B     6                                                      
REMARK 465     GLY B     7                                                      
REMARK 465     SER B   281                                                      
REMARK 465     PRO B   282                                                      
REMARK 465     SER B   283                                                      
REMARK 465     GLY C    -3                                                      
REMARK 465     GLY C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     SER C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     GLU C     2                                                      
REMARK 465     PRO C     3                                                      
REMARK 465     GLY C     4                                                      
REMARK 465     ARG C     5                                                      
REMARK 465     GLY C     6                                                      
REMARK 465     GLY C     7                                                      
REMARK 465     ALA C   280                                                      
REMARK 465     SER C   281                                                      
REMARK 465     PRO C   282                                                      
REMARK 465     SER C   283                                                      
REMARK 465     GLY D    -3                                                      
REMARK 465     GLY D    -2                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     SER D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     GLU D     2                                                      
REMARK 465     PRO D     3                                                      
REMARK 465     GLY D     4                                                      
REMARK 465     ARG D     5                                                      
REMARK 465     GLY D     6                                                      
REMARK 465     GLY D     7                                                      
REMARK 465     SER D   281                                                      
REMARK 465     PRO D   282                                                      
REMARK 465     SER D   283                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    PRO D 185   C   -  N   -  CA  ANGL. DEV. =   9.5 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ARG A 108      -55.79     73.31                                   
REMARK 500    ASP A 138       41.04   -140.85                                   
REMARK 500    ASP A 165       82.00     69.01                                   
REMARK 500    ASP A 199     -158.60   -139.72                                   
REMARK 500    LEU A 259       42.17    -96.49                                   
REMARK 500    ASP A 279      -62.74    -99.55                                   
REMARK 500    ALA B  37      -72.96    -79.01                                   
REMARK 500    ARG B 108      -67.60     75.47                                   
REMARK 500    ARG B 137       -1.19     75.53                                   
REMARK 500    ASP B 165       83.99     60.52                                   
REMARK 500    ASP B 199     -158.79   -134.81                                   
REMARK 500    SER B 225      174.43    179.42                                   
REMARK 500    PRO B 244      152.32    -48.77                                   
REMARK 500    LEU B 259       46.56    -95.50                                   
REMARK 500    ARG C  18        1.07    -70.00                                   
REMARK 500    ARG C 108      -58.41     77.18                                   
REMARK 500    ARG C 137       -1.37     74.67                                   
REMARK 500    ARG C 153       49.83    -90.36                                   
REMARK 500    ASP C 165       81.17     60.94                                   
REMARK 500    ASP C 199     -155.82   -138.17                                   
REMARK 500    LEU C 259       46.99    -94.15                                   
REMARK 500    ASN D  52       61.63   -116.05                                   
REMARK 500    ARG D 108      -69.35     81.35                                   
REMARK 500    ARG D 153       17.59     59.63                                   
REMARK 500    ASP D 165       80.61     65.59                                   
REMARK 500    ASP D 199     -156.12   -139.01                                   
REMARK 500    LEU D 259       42.60   -100.31                                   
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 GOL A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 3RJ A 303                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 3RJ B 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 3RJ C 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 3RJ D 401                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4WNO   RELATED DB: PDB                                   
DBREF  4WNP A    1   283  UNP    O75385   ULK1_HUMAN       1    283             
DBREF  4WNP B    1   283  UNP    O75385   ULK1_HUMAN       1    283             
DBREF  4WNP C    1   283  UNP    O75385   ULK1_HUMAN       1    283             
DBREF  4WNP D    1   283  UNP    O75385   ULK1_HUMAN       1    283             
SEQADV 4WNP GLY A   -3  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY A   -2  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY A   -1  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP SER A    0  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP ALA A   37  UNP  O75385    GLU    37 ENGINEERED MUTATION            
SEQADV 4WNP ALA A   38  UNP  O75385    LYS    38 ENGINEERED MUTATION            
SEQADV 4WNP GLY B   -3  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY B   -2  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY B   -1  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP SER B    0  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP ALA B   37  UNP  O75385    GLU    37 ENGINEERED MUTATION            
SEQADV 4WNP ALA B   38  UNP  O75385    LYS    38 ENGINEERED MUTATION            
SEQADV 4WNP GLY C   -3  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY C   -2  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY C   -1  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP SER C    0  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP ALA C   37  UNP  O75385    GLU    37 ENGINEERED MUTATION            
SEQADV 4WNP ALA C   38  UNP  O75385    LYS    38 ENGINEERED MUTATION            
SEQADV 4WNP GLY D   -3  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY D   -2  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP GLY D   -1  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP SER D    0  UNP  O75385              EXPRESSION TAG                 
SEQADV 4WNP ALA D   37  UNP  O75385    GLU    37 ENGINEERED MUTATION            
SEQADV 4WNP ALA D   38  UNP  O75385    LYS    38 ENGINEERED MUTATION            
SEQRES   1 A  287  GLY GLY GLY SER MET GLU PRO GLY ARG GLY GLY THR GLU          
SEQRES   2 A  287  THR VAL GLY LYS PHE GLU PHE SER ARG LYS ASP LEU ILE          
SEQRES   3 A  287  GLY HIS GLY ALA PHE ALA VAL VAL PHE LYS GLY ARG HIS          
SEQRES   4 A  287  ARG ALA ALA HIS ASP LEU GLU VAL ALA VAL LYS CYS ILE          
SEQRES   5 A  287  ASN LYS LYS ASN LEU ALA LYS SER GLN THR LEU LEU GLY          
SEQRES   6 A  287  LYS GLU ILE LYS ILE LEU LYS GLU LEU LYS HIS GLU ASN          
SEQRES   7 A  287  ILE VAL ALA LEU TYR ASP PHE GLN GLU MET ALA ASN SER          
SEQRES   8 A  287  VAL TYR LEU VAL MET GLU TYR CYS ASN GLY GLY ASP LEU          
SEQRES   9 A  287  ALA ASP TYR LEU HIS ALA MET ARG THR LEU SER GLU ASP          
SEQRES  10 A  287  THR ILE ARG LEU PHE LEU GLN GLN ILE ALA GLY ALA MET          
SEQRES  11 A  287  ARG LEU LEU HIS SER LYS GLY ILE ILE HIS ARG ASP LEU          
SEQRES  12 A  287  LYS PRO GLN ASN ILE LEU LEU SER ASN PRO ALA GLY ARG          
SEQRES  13 A  287  ARG ALA ASN PRO ASN SER ILE ARG VAL LYS ILE ALA ASP          
SEQRES  14 A  287  PHE GLY PHE ALA ARG TYR LEU GLN SER ASN MET MET ALA          
SEQRES  15 A  287  ALA TPO LEU CYS GLY SER PRO MET TYR MET ALA PRO GLU          
SEQRES  16 A  287  VAL ILE MET SER GLN HIS TYR ASP GLY LYS ALA ASP LEU          
SEQRES  17 A  287  TRP SER ILE GLY THR ILE VAL TYR GLN CYS LEU THR GLY          
SEQRES  18 A  287  LYS ALA PRO PHE GLN ALA SER SER PRO GLN ASP LEU ARG          
SEQRES  19 A  287  LEU PHE TYR GLU LYS ASN LYS THR LEU VAL PRO THR ILE          
SEQRES  20 A  287  PRO ARG GLU THR SER ALA PRO LEU ARG GLN LEU LEU LEU          
SEQRES  21 A  287  ALA LEU LEU GLN ARG ASN HIS LYS ASP ARG MET ASP PHE          
SEQRES  22 A  287  ASP GLU PHE PHE HIS HIS PRO PHE LEU ASP ALA SER PRO          
SEQRES  23 A  287  SER                                                          
SEQRES   1 B  287  GLY GLY GLY SER MET GLU PRO GLY ARG GLY GLY THR GLU          
SEQRES   2 B  287  THR VAL GLY LYS PHE GLU PHE SER ARG LYS ASP LEU ILE          
SEQRES   3 B  287  GLY HIS GLY ALA PHE ALA VAL VAL PHE LYS GLY ARG HIS          
SEQRES   4 B  287  ARG ALA ALA HIS ASP LEU GLU VAL ALA VAL LYS CYS ILE          
SEQRES   5 B  287  ASN LYS LYS ASN LEU ALA LYS SER GLN THR LEU LEU GLY          
SEQRES   6 B  287  LYS GLU ILE LYS ILE LEU LYS GLU LEU LYS HIS GLU ASN          
SEQRES   7 B  287  ILE VAL ALA LEU TYR ASP PHE GLN GLU MET ALA ASN SER          
SEQRES   8 B  287  VAL TYR LEU VAL MET GLU TYR CYS ASN GLY GLY ASP LEU          
SEQRES   9 B  287  ALA ASP TYR LEU HIS ALA MET ARG THR LEU SER GLU ASP          
SEQRES  10 B  287  THR ILE ARG LEU PHE LEU GLN GLN ILE ALA GLY ALA MET          
SEQRES  11 B  287  ARG LEU LEU HIS SER LYS GLY ILE ILE HIS ARG ASP LEU          
SEQRES  12 B  287  LYS PRO GLN ASN ILE LEU LEU SER ASN PRO ALA GLY ARG          
SEQRES  13 B  287  ARG ALA ASN PRO ASN SER ILE ARG VAL LYS ILE ALA ASP          
SEQRES  14 B  287  PHE GLY PHE ALA ARG TYR LEU GLN SER ASN MET MET ALA          
SEQRES  15 B  287  ALA TPO LEU CYS GLY SER PRO MET TYR MET ALA PRO GLU          
SEQRES  16 B  287  VAL ILE MET SER GLN HIS TYR ASP GLY LYS ALA ASP LEU          
SEQRES  17 B  287  TRP SER ILE GLY THR ILE VAL TYR GLN CYS LEU THR GLY          
SEQRES  18 B  287  LYS ALA PRO PHE GLN ALA SER SER PRO GLN ASP LEU ARG          
SEQRES  19 B  287  LEU PHE TYR GLU LYS ASN LYS THR LEU VAL PRO THR ILE          
SEQRES  20 B  287  PRO ARG GLU THR SER ALA PRO LEU ARG GLN LEU LEU LEU          
SEQRES  21 B  287  ALA LEU LEU GLN ARG ASN HIS LYS ASP ARG MET ASP PHE          
SEQRES  22 B  287  ASP GLU PHE PHE HIS HIS PRO PHE LEU ASP ALA SER PRO          
SEQRES  23 B  287  SER                                                          
SEQRES   1 C  287  GLY GLY GLY SER MET GLU PRO GLY ARG GLY GLY THR GLU          
SEQRES   2 C  287  THR VAL GLY LYS PHE GLU PHE SER ARG LYS ASP LEU ILE          
SEQRES   3 C  287  GLY HIS GLY ALA PHE ALA VAL VAL PHE LYS GLY ARG HIS          
SEQRES   4 C  287  ARG ALA ALA HIS ASP LEU GLU VAL ALA VAL LYS CYS ILE          
SEQRES   5 C  287  ASN LYS LYS ASN LEU ALA LYS SER GLN THR LEU LEU GLY          
SEQRES   6 C  287  LYS GLU ILE LYS ILE LEU LYS GLU LEU LYS HIS GLU ASN          
SEQRES   7 C  287  ILE VAL ALA LEU TYR ASP PHE GLN GLU MET ALA ASN SER          
SEQRES   8 C  287  VAL TYR LEU VAL MET GLU TYR CYS ASN GLY GLY ASP LEU          
SEQRES   9 C  287  ALA ASP TYR LEU HIS ALA MET ARG THR LEU SER GLU ASP          
SEQRES  10 C  287  THR ILE ARG LEU PHE LEU GLN GLN ILE ALA GLY ALA MET          
SEQRES  11 C  287  ARG LEU LEU HIS SER LYS GLY ILE ILE HIS ARG ASP LEU          
SEQRES  12 C  287  LYS PRO GLN ASN ILE LEU LEU SER ASN PRO ALA GLY ARG          
SEQRES  13 C  287  ARG ALA ASN PRO ASN SER ILE ARG VAL LYS ILE ALA ASP          
SEQRES  14 C  287  PHE GLY PHE ALA ARG TYR LEU GLN SER ASN MET MET ALA          
SEQRES  15 C  287  ALA TPO LEU CYS GLY SER PRO MET TYR MET ALA PRO GLU          
SEQRES  16 C  287  VAL ILE MET SER GLN HIS TYR ASP GLY LYS ALA ASP LEU          
SEQRES  17 C  287  TRP SER ILE GLY THR ILE VAL TYR GLN CYS LEU THR GLY          
SEQRES  18 C  287  LYS ALA PRO PHE GLN ALA SER SER PRO GLN ASP LEU ARG          
SEQRES  19 C  287  LEU PHE TYR GLU LYS ASN LYS THR LEU VAL PRO THR ILE          
SEQRES  20 C  287  PRO ARG GLU THR SER ALA PRO LEU ARG GLN LEU LEU LEU          
SEQRES  21 C  287  ALA LEU LEU GLN ARG ASN HIS LYS ASP ARG MET ASP PHE          
SEQRES  22 C  287  ASP GLU PHE PHE HIS HIS PRO PHE LEU ASP ALA SER PRO          
SEQRES  23 C  287  SER                                                          
SEQRES   1 D  287  GLY GLY GLY SER MET GLU PRO GLY ARG GLY GLY THR GLU          
SEQRES   2 D  287  THR VAL GLY LYS PHE GLU PHE SER ARG LYS ASP LEU ILE          
SEQRES   3 D  287  GLY HIS GLY ALA PHE ALA VAL VAL PHE LYS GLY ARG HIS          
SEQRES   4 D  287  ARG ALA ALA HIS ASP LEU GLU VAL ALA VAL LYS CYS ILE          
SEQRES   5 D  287  ASN LYS LYS ASN LEU ALA LYS SER GLN THR LEU LEU GLY          
SEQRES   6 D  287  LYS GLU ILE LYS ILE LEU LYS GLU LEU LYS HIS GLU ASN          
SEQRES   7 D  287  ILE VAL ALA LEU TYR ASP PHE GLN GLU MET ALA ASN SER          
SEQRES   8 D  287  VAL TYR LEU VAL MET GLU TYR CYS ASN GLY GLY ASP LEU          
SEQRES   9 D  287  ALA ASP TYR LEU HIS ALA MET ARG THR LEU SER GLU ASP          
SEQRES  10 D  287  THR ILE ARG LEU PHE LEU GLN GLN ILE ALA GLY ALA MET          
SEQRES  11 D  287  ARG LEU LEU HIS SER LYS GLY ILE ILE HIS ARG ASP LEU          
SEQRES  12 D  287  LYS PRO GLN ASN ILE LEU LEU SER ASN PRO ALA GLY ARG          
SEQRES  13 D  287  ARG ALA ASN PRO ASN SER ILE ARG VAL LYS ILE ALA ASP          
SEQRES  14 D  287  PHE GLY PHE ALA ARG TYR LEU GLN SER ASN MET MET ALA          
SEQRES  15 D  287  ALA TPO LEU CYS GLY SER PRO MET TYR MET ALA PRO GLU          
SEQRES  16 D  287  VAL ILE MET SER GLN HIS TYR ASP GLY LYS ALA ASP LEU          
SEQRES  17 D  287  TRP SER ILE GLY THR ILE VAL TYR GLN CYS LEU THR GLY          
SEQRES  18 D  287  LYS ALA PRO PHE GLN ALA SER SER PRO GLN ASP LEU ARG          
SEQRES  19 D  287  LEU PHE TYR GLU LYS ASN LYS THR LEU VAL PRO THR ILE          
SEQRES  20 D  287  PRO ARG GLU THR SER ALA PRO LEU ARG GLN LEU LEU LEU          
SEQRES  21 D  287  ALA LEU LEU GLN ARG ASN HIS LYS ASP ARG MET ASP PHE          
SEQRES  22 D  287  ASP GLU PHE PHE HIS HIS PRO PHE LEU ASP ALA SER PRO          
SEQRES  23 D  287  SER                                                          
MODRES 4WNP TPO A  180  THR  MODIFIED RESIDUE                                   
MODRES 4WNP TPO B  180  THR  MODIFIED RESIDUE                                   
MODRES 4WNP TPO C  180  THR  MODIFIED RESIDUE                                   
MODRES 4WNP TPO D  180  THR  MODIFIED RESIDUE                                   
HET    TPO  A 180      11                                                       
HET    TPO  B 180      11                                                       
HET    TPO  C 180      11                                                       
HET    TPO  D 180      11                                                       
HET    GOL  A 301      14                                                       
HET    GOL  A 302      14                                                       
HET    3RJ  A 303      50                                                       
HET    3RJ  B 401      50                                                       
HET    3RJ  C 401      50                                                       
HET    3RJ  D 401      50                                                       
HETNAM     TPO PHOSPHOTHREONINE                                                 
HETNAM     GOL GLYCEROL                                                         
HETNAM     3RJ N~2~-(1H-BENZIMIDAZOL-6-YL)-N~4~-(5-CYCLOBUTYL-1H-               
HETNAM   2 3RJ  PYRAZOL-3-YL)QUINAZOLINE-2,4-DIAMINE                            
HETSYN     TPO PHOSPHONOTHREONINE                                               
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   1  TPO    4(C4 H10 N O6 P)                                             
FORMUL   5  GOL    2(C3 H8 O3)                                                  
FORMUL   7  3RJ    4(C22 H20 N8)                                                
FORMUL  11  HOH   *243(H2 O)                                                    
HELIX    1 AA1 ASN A   49  LYS A   51  5                                   3    
HELIX    2 AA2 ASN A   52  LYS A   68  1                                  17    
HELIX    3 AA3 ASP A   99  ARG A  108  1                                  10    
HELIX    4 AA4 SER A  111  GLY A  133  1                                  23    
HELIX    5 AA5 LYS A  140  GLN A  142  5                                   3    
HELIX    6 AA6 ALA A  150  ALA A  154  5                                   5    
HELIX    7 AA7 ASN A  155  ILE A  159  5                                   5    
HELIX    8 AA8 SER A  184  MET A  188  5                                   5    
HELIX    9 AA9 ALA A  189  MET A  194  1                                   6    
HELIX   10 AB1 GLY A  200  GLY A  217  1                                  18    
HELIX   11 AB2 SER A  225  ASN A  236  1                                  12    
HELIX   12 AB3 SER A  248  LEU A  259  1                                  12    
HELIX   13 AB4 ASP A  268  HIS A  274  1                                   7    
HELIX   14 AB5 HIS A  275  ASP A  279  5                                   5    
HELIX   15 AB6 ASN B   49  LYS B   51  5                                   3    
HELIX   16 AB7 ASN B   52  LYS B   68  1                                  17    
HELIX   17 AB8 ASP B   99  ARG B  108  1                                  10    
HELIX   18 AB9 SER B  111  GLY B  133  1                                  23    
HELIX   19 AC1 LYS B  140  GLN B  142  5                                   3    
HELIX   20 AC2 ASN B  155  ILE B  159  5                                   5    
HELIX   21 AC3 ALA B  189  MET B  194  1                                   6    
HELIX   22 AC4 GLY B  200  GLY B  217  1                                  18    
HELIX   23 AC5 SER B  225  ASN B  236  1                                  12    
HELIX   24 AC6 SER B  248  LEU B  259  1                                  12    
HELIX   25 AC7 ASP B  268  HIS B  274  1                                   7    
HELIX   26 AC8 ASN C   49  LYS C   51  5                                   3    
HELIX   27 AC9 ASN C   52  LYS C   68  1                                  17    
HELIX   28 AD1 LEU C  100  ARG C  108  1                                   9    
HELIX   29 AD2 SER C  111  GLY C  133  1                                  23    
HELIX   30 AD3 LYS C  140  GLN C  142  5                                   3    
HELIX   31 AD4 ALA C  150  ALA C  154  5                                   5    
HELIX   32 AD5 ASN C  155  ILE C  159  5                                   5    
HELIX   33 AD6 SER C  184  MET C  188  5                                   5    
HELIX   34 AD7 ALA C  189  MET C  194  1                                   6    
HELIX   35 AD8 GLY C  200  GLY C  217  1                                  18    
HELIX   36 AD9 SER C  225  ASN C  236  1                                  12    
HELIX   37 AE1 SER C  248  LEU C  259  1                                  12    
HELIX   38 AE2 ASP C  268  HIS C  274  1                                   7    
HELIX   39 AE3 ASN D   49  LYS D   51  5                                   3    
HELIX   40 AE4 ASN D   52  LYS D   68  1                                  17    
HELIX   41 AE5 ASP D   99  ARG D  108  1                                  10    
HELIX   42 AE6 SER D  111  GLY D  133  1                                  23    
HELIX   43 AE7 LYS D  140  GLN D  142  5                                   3    
HELIX   44 AE8 ASN D  155  ILE D  159  5                                   5    
HELIX   45 AE9 SER D  184  MET D  188  5                                   5    
HELIX   46 AF1 ALA D  189  MET D  194  1                                   6    
HELIX   47 AF2 GLY D  200  GLY D  217  1                                  18    
HELIX   48 AF3 SER D  225  ASN D  236  1                                  12    
HELIX   49 AF4 SER D  248  LEU D  259  1                                  12    
HELIX   50 AF5 ASP D  268  HIS D  274  1                                   7    
HELIX   51 AF6 HIS D  275  ASP D  279  5                                   5    
SHEET    1 AA1 6 THR A   8  VAL A  11  0                                        
SHEET    2 AA1 6 PHE A  14  HIS A  24 -1  O  PHE A  16   N  GLU A   9           
SHEET    3 AA1 6 VAL A  29  HIS A  35 -1  O  VAL A  30   N  GLY A  23           
SHEET    4 AA1 6 GLU A  42  CYS A  47 -1  O  CYS A  47   N  VAL A  29           
SHEET    5 AA1 6 VAL A  88  GLU A  93 -1  O  MET A  92   N  ALA A  44           
SHEET    6 AA1 6 LEU A  78  GLU A  83 -1  N  ASP A  80   O  VAL A  91           
SHEET    1 AA2 2 ILE A 134  ILE A 135  0                                        
SHEET    2 AA2 2 ARG A 170  TYR A 171 -1  O  ARG A 170   N  ILE A 135           
SHEET    1 AA3 2 ILE A 144  SER A 147  0                                        
SHEET    2 AA3 2 ARG A 160  ILE A 163 -1  O  LYS A 162   N  LEU A 145           
SHEET    1 AA4 6 GLU B   9  VAL B  11  0                                        
SHEET    2 AA4 6 PHE B  14  GLY B  25 -1  O  PHE B  16   N  GLU B   9           
SHEET    3 AA4 6 ALA B  28  HIS B  35 -1  O  VAL B  30   N  ILE B  22           
SHEET    4 AA4 6 GLU B  42  CYS B  47 -1  O  VAL B  43   N  GLY B  33           
SHEET    5 AA4 6 VAL B  88  GLU B  93 -1  O  MET B  92   N  ALA B  44           
SHEET    6 AA4 6 LEU B  78  GLU B  83 -1  N  ASP B  80   O  VAL B  91           
SHEET    1 AA5 2 ILE B 134  ILE B 135  0                                        
SHEET    2 AA5 2 ARG B 170  TYR B 171 -1  O  ARG B 170   N  ILE B 135           
SHEET    1 AA6 2 ILE B 144  SER B 147  0                                        
SHEET    2 AA6 2 ARG B 160  ILE B 163 -1  O  LYS B 162   N  LEU B 145           
SHEET    1 AA7 6 GLU C   9  VAL C  11  0                                        
SHEET    2 AA7 6 PHE C  14  HIS C  24 -1  O  PHE C  16   N  GLU C   9           
SHEET    3 AA7 6 VAL C  29  HIS C  35 -1  O  VAL C  30   N  ILE C  22           
SHEET    4 AA7 6 GLU C  42  CYS C  47 -1  O  CYS C  47   N  VAL C  29           
SHEET    5 AA7 6 VAL C  88  GLU C  93 -1  O  LEU C  90   N  LYS C  46           
SHEET    6 AA7 6 LEU C  78  GLU C  83 -1  N  ASP C  80   O  VAL C  91           
SHEET    1 AA8 3 GLY C  98  ASP C  99  0                                        
SHEET    2 AA8 3 ILE C 144  SER C 147 -1  O  LEU C 146   N  GLY C  98           
SHEET    3 AA8 3 ARG C 160  ILE C 163 -1  O  LYS C 162   N  LEU C 145           
SHEET    1 AA9 2 ILE C 134  ILE C 135  0                                        
SHEET    2 AA9 2 ARG C 170  TYR C 171 -1  O  ARG C 170   N  ILE C 135           
SHEET    1 AB1 6 GLU D   9  VAL D  11  0                                        
SHEET    2 AB1 6 PHE D  14  HIS D  24 -1  O  PHE D  16   N  GLU D   9           
SHEET    3 AB1 6 VAL D  29  HIS D  35 -1  O  VAL D  30   N  ILE D  22           
SHEET    4 AB1 6 GLU D  42  CYS D  47 -1  O  VAL D  45   N  PHE D  31           
SHEET    5 AB1 6 VAL D  88  GLU D  93 -1  O  MET D  92   N  ALA D  44           
SHEET    6 AB1 6 LEU D  78  GLU D  83 -1  N  TYR D  79   O  VAL D  91           
SHEET    1 AB2 2 ILE D 134  ILE D 135  0                                        
SHEET    2 AB2 2 ARG D 170  TYR D 171 -1  O  ARG D 170   N  ILE D 135           
SHEET    1 AB3 2 ILE D 144  SER D 147  0                                        
SHEET    2 AB3 2 ARG D 160  ILE D 163 -1  O  LYS D 162   N  LEU D 145           
LINK         C   ALA A 179                 N   TPO A 180     1555   1555  1.33  
LINK         C   TPO A 180                 N   LEU A 181     1555   1555  1.33  
LINK         C   ALA B 179                 N   TPO B 180     1555   1555  1.33  
LINK         C   TPO B 180                 N   LEU B 181     1555   1555  1.33  
LINK         C   ALA C 179                 N   TPO C 180     1555   1555  1.33  
LINK         C   TPO C 180                 N   LEU C 181     1555   1555  1.32  
LINK         C   ALA D 179                 N   TPO D 180     1555   1555  1.33  
LINK         C   TPO D 180                 N   LEU D 181     1555   1555  1.32  
CISPEP   1 ASP B  279    ALA B  280          0         0.01                     
CISPEP   2 ASP D  279    ALA D  280          0         9.52                     
SITE     1 AC1  5 HIS A 130  ILE A 134  ILE A 135  LEU A 172                    
SITE     2 AC1  5 PHE A 269                                                     
SITE     1 AC2  7 HIS A 130  SER A 131  GLY A 133  LEU A 172                    
SITE     2 AC2  7 HOH A 462  SER B 131  GLY B 133                               
SITE     1 AC3 13 ILE A  22  ALA A  44  GLU A  93  TYR A  94                    
SITE     2 AC3 13 CYS A  95  ASN A  96  GLY A  98  ASP A 102                    
SITE     3 AC3 13 GLN A 142  ASN A 143  LEU A 145  HOH A 425                    
SITE     4 AC3 13 HOH A 460                                                     
SITE     1 AC4 10 ILE B  22  ALA B  44  GLU B  93  TYR B  94                    
SITE     2 AC4 10 CYS B  95  GLY B  98  ASP B  99  GLN B 142                    
SITE     3 AC4 10 ASN B 143  LEU B 145                                          
SITE     1 AC5 11 ILE C  22  ALA C  44  GLU C  93  TYR C  94                    
SITE     2 AC5 11 CYS C  95  ASN C  96  GLY C  98  ASP C 102                    
SITE     3 AC5 11 GLN C 142  ASN C 143  LEU C 145                               
SITE     1 AC6 12 ILE D  22  ALA D  44  LYS D  46  GLU D  93                    
SITE     2 AC6 12 TYR D  94  CYS D  95  GLY D  98  ASP D  99                    
SITE     3 AC6 12 GLN D 142  ASN D 143  LEU D 145  HOH D 539                    
CRYST1  100.410  113.800  100.630  90.00  90.00  90.00 P 2 2 21     16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.009959  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008787  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009937        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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