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Database: PDB
Entry: 4TQB
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HEADER    PROTEIN BINDING                         10-JUN-14   4TQB              
TITLE     THE CO-COMPLEX STRUCTURE OF THE TRANSLATION INITIATION FACTOR EIF4E   
TITLE    2 WITH THE INHIBITOR 4EGI-1 REVEALS AN ALLOSTERIC MECHANISM FOR        
TITLE    3 DISSOCIATING EIF4G                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E;               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 28-217;                                       
COMPND   5 SYNONYM: EIF4E,EIF-4F 25 KDA SUBUNIT,MRNA CAP-BINDING PROTEIN;       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: EIF4E, EIF4EL1, EIF4F;                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21                                       
KEYWDS    EIF4E, TRANSLATION INITIATION INHIBITOR, ALLOSTERIC, 4EGI1, PROTEIN   
KEYWDS   2 BINDING                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.PAPADOPOULOS,S.JENNI,G.WAGNER                                       
REVDAT   2   01-OCT-14 4TQB    1       JRNL                                     
REVDAT   1   13-AUG-14 4TQB    0                                                
JRNL        AUTH   E.PAPADOPOULOS,S.JENNI,E.KABHA,K.J.TAKROURI,T.YI,N.SALVI,    
JRNL        AUTH 2 R.E.LUNA,E.GAVATHIOTIS,P.MAHALINGAM,H.ARTHANARI,             
JRNL        AUTH 3 R.RODRIGUEZ-MIAS,R.YEFIDOFF-FREEDMAN,B.H.AKTAS,M.CHOREV,     
JRNL        AUTH 4 J.A.HALPERIN,G.WAGNER                                        
JRNL        TITL   STRUCTURE OF THE EUKARYOTIC TRANSLATION INITIATION FACTOR    
JRNL        TITL 2 EIF4E IN COMPLEX WITH 4EGI-1 REVEALS AN ALLOSTERIC MECHANISM 
JRNL        TITL 3 FOR DISSOCIATING EIF4G.                                      
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 111 E3187 2014              
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   25049413                                                     
JRNL        DOI    10.1073/PNAS.1410250111                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.59 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) : 1.59                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.39                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 46338                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.183                           
REMARK   3   R VALUE            (WORKING SET) : 0.182                           
REMARK   3   FREE R VALUE                     : 0.211                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.360                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2021                            
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 19.3924 -  3.8231    0.93     3175   147  0.1675 0.2172        
REMARK   3     2  3.8231 -  3.0383    0.96     3231   147  0.1544 0.1691        
REMARK   3     3  3.0383 -  2.6553    0.97     3260   146  0.1668 0.1736        
REMARK   3     4  2.6553 -  2.4130    0.96     3261   148  0.1657 0.1933        
REMARK   3     5  2.4130 -  2.2403    0.96     3215   147  0.1644 0.1933        
REMARK   3     6  2.2403 -  2.1084    0.97     3233   146  0.1627 0.1816        
REMARK   3     7  2.1084 -  2.0029    0.96     3227   144  0.1703 0.2141        
REMARK   3     8  2.0029 -  1.9158    0.96     3227   147  0.1945 0.2429        
REMARK   3     9  1.9158 -  1.8421    0.95     3189   140  0.2081 0.2679        
REMARK   3    10  1.8421 -  1.7786    0.95     3191   146  0.2175 0.2462        
REMARK   3    11  1.7786 -  1.7230    0.95     3164   145  0.2347 0.2617        
REMARK   3    12  1.7230 -  1.6738    0.94     3108   143  0.2836 0.3013        
REMARK   3    13  1.6738 -  1.6298    0.93     3092   137  0.3301 0.3280        
REMARK   3    14  1.6298 -  1.5900    0.82     2744   138  0.3938 0.4568        
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)     : 0.230            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.850           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.009           3396                                  
REMARK   3   ANGLE     :  1.171           4638                                  
REMARK   3   CHIRALITY :  0.043            482                                  
REMARK   3   PLANARITY :  0.006            582                                  
REMARK   3   DIHEDRAL  : 13.480           1267                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 35                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 33:57)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   5.9799  -4.1940  -0.5025              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1526 T22:   0.1051                                     
REMARK   3      T33:   0.1143 T12:  -0.0039                                     
REMARK   3      T13:   0.0656 T23:   0.0152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7223 L22:   2.7795                                     
REMARK   3      L33:   4.9405 L12:  -0.1431                                     
REMARK   3      L13:   2.1124 L23:  -0.3028                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0010 S12:   0.1310 S13:   0.3153                       
REMARK   3      S21:  -0.1021 S22:  -0.0512 S23:   0.1866                       
REMARK   3      S31:  -0.1060 S32:  -0.0981 S33:   0.0914                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 58:64)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.0868  -0.6524  -4.8050              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1229 T22:   0.1896                                     
REMARK   3      T33:   0.1381 T12:   0.0407                                     
REMARK   3      T13:   0.0086 T23:   0.0122                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6801 L22:   6.8764                                     
REMARK   3      L33:   9.4429 L12:   4.8090                                     
REMARK   3      L13:   7.1753 L23:   5.1748                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1026 S12:   0.2205 S13:   0.6607                       
REMARK   3      S21:  -0.0198 S22:  -0.2355 S23:   0.3075                       
REMARK   3      S31:   0.1777 S32:   0.1232 S33:   0.3083                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 65:78)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  11.2297  -1.9435   8.6176              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0950 T22:   0.1046                                     
REMARK   3      T33:   0.1155 T12:  -0.0114                                     
REMARK   3      T13:  -0.0119 T23:   0.0149                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5055 L22:   3.3647                                     
REMARK   3      L33:   7.5484 L12:  -0.6841                                     
REMARK   3      L13:  -0.4163 L23:  -0.1613                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1536 S12:  -0.0068 S13:   0.3444                       
REMARK   3      S21:  -0.2347 S22:   0.0221 S23:  -0.0556                       
REMARK   3      S31:  -0.3451 S32:   0.0304 S33:   0.1001                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 79:87)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.9527  -3.0778   9.6721              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2497 T22:   0.3095                                     
REMARK   3      T33:   0.3554 T12:   0.1218                                     
REMARK   3      T13:  -0.0204 T23:  -0.0410                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0487 L22:   4.2105                                     
REMARK   3      L33:   3.4290 L12:   2.0164                                     
REMARK   3      L13:   1.3749 L23:   0.8645                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0744 S12:  -0.2538 S13:   0.2649                       
REMARK   3      S21:  -0.2799 S22:  -0.2689 S23:   1.3515                       
REMARK   3      S31:  -0.2917 S32:  -0.5901 S33:   0.4700                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 88:104)                             
REMARK   3    ORIGIN FOR THE GROUP (A):   3.4565  -9.0519  -5.4600              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2610 T22:   0.1686                                     
REMARK   3      T33:   0.1313 T12:   0.0449                                     
REMARK   3      T13:  -0.0200 T23:   0.0344                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3686 L22:   2.5829                                     
REMARK   3      L33:   5.9993 L12:   0.7471                                     
REMARK   3      L13:   1.2826 L23:   0.8658                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2610 S12:   0.3601 S13:   0.2228                       
REMARK   3      S21:  -0.6361 S22:  -0.1460 S23:   0.2379                       
REMARK   3      S31:  -0.0813 S32:  -0.2267 S33:   0.0729                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 105:109)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   8.4324 -15.9299 -14.0557              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5871 T22:   0.3718                                     
REMARK   3      T33:   0.1876 T12:  -0.0090                                     
REMARK   3      T13:   0.0101 T23:  -0.0172                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1472 L22:   5.9924                                     
REMARK   3      L33:   3.1324 L12:  -1.3756                                     
REMARK   3      L13:  -2.7579 L23:   0.4347                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0354 S12:   1.2764 S13:   0.1613                       
REMARK   3      S21:  -1.8061 S22:   0.1826 S23:  -0.5989                       
REMARK   3      S31:  -0.2585 S32:   0.8343 S33:  -0.3137                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 110:124)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.1745 -18.6980   7.4812              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2075 T22:   0.3267                                     
REMARK   3      T33:   0.3165 T12:  -0.0366                                     
REMARK   3      T13:  -0.0359 T23:   0.0305                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3436 L22:   5.5836                                     
REMARK   3      L33:   7.5835 L12:  -2.8154                                     
REMARK   3      L13:  -3.4877 L23:   1.9119                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1402 S12:  -0.4699 S13:  -0.2748                       
REMARK   3      S21:   0.1108 S22:   0.1199 S23:   0.9977                       
REMARK   3      S31:  -0.0655 S32:  -0.5150 S33:   0.0473                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 125:141)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   6.2701 -14.1545   9.4497              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1140 T22:   0.1224                                     
REMARK   3      T33:   0.0934 T12:  -0.0249                                     
REMARK   3      T13:  -0.0242 T23:   0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2562 L22:   4.8703                                     
REMARK   3      L33:   5.9879 L12:  -0.8583                                     
REMARK   3      L13:  -2.4554 L23:   0.1964                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0383 S12:  -0.1606 S13:  -0.1546                       
REMARK   3      S21:   0.0311 S22:   0.1363 S23:   0.1485                       
REMARK   3      S31:   0.3190 S32:  -0.2055 S33:  -0.0941                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 142:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.6837 -21.3253   0.4229              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2248 T22:   0.3138                                     
REMARK   3      T33:   0.3491 T12:   0.0585                                     
REMARK   3      T13:   0.0561 T23:  -0.0097                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7379 L22:   5.2570                                     
REMARK   3      L33:   2.2296 L12:  -5.4890                                     
REMARK   3      L13:   3.0548 L23:  -2.9363                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1019 S12:   0.2251 S13:  -0.1849                       
REMARK   3      S21:  -0.3939 S22:  -0.4480 S23:  -0.6466                       
REMARK   3      S31:   0.2101 S32:   1.1204 S33:   0.6426                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 148:168)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.1916 -15.5092   0.1697              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1740 T22:   0.1823                                     
REMARK   3      T33:   0.1154 T12:  -0.0313                                     
REMARK   3      T13:  -0.0477 T23:  -0.0063                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2293 L22:   3.8822                                     
REMARK   3      L33:   3.8857 L12:  -1.0507                                     
REMARK   3      L13:  -0.8790 L23:  -0.0035                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1251 S12:   0.0601 S13:  -0.2564                       
REMARK   3      S21:  -0.2917 S22:  -0.1051 S23:   0.3927                       
REMARK   3      S31:   0.2336 S32:  -0.3305 S33:   0.0477                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 169:174)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  10.6597 -27.4484  -8.4593              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5376 T22:   0.3455                                     
REMARK   3      T33:   0.3062 T12:   0.1221                                     
REMARK   3      T13:  -0.0646 T23:  -0.1455                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9631 L22:   0.6935                                     
REMARK   3      L33:   4.8189 L12:   2.0203                                     
REMARK   3      L13:   1.5784 L23:   0.6421                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2653 S12:   0.2476 S13:  -0.4738                       
REMARK   3      S21:  -0.8207 S22:   0.0530 S23:  -0.3290                       
REMARK   3      S31:  -0.0327 S32:   0.4558 S33:  -0.8028                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 175:184)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   9.4638 -26.0192   3.4212              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1971 T22:   0.1421                                     
REMARK   3      T33:   0.1931 T12:   0.0055                                     
REMARK   3      T13:  -0.0642 T23:  -0.0177                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9664 L22:   7.3357                                     
REMARK   3      L33:   5.3398 L12:   1.6390                                     
REMARK   3      L13:  -5.3891 L23:   0.8334                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0441 S12:  -0.1728 S13:  -0.4893                       
REMARK   3      S21:  -0.0396 S22:  -0.1888 S23:  -0.3565                       
REMARK   3      S31:   0.4430 S32:   0.3998 S33:  -0.0437                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 185:189)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   6.8408 -22.7756  11.8909              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2568 T22:   0.1783                                     
REMARK   3      T33:   0.1570 T12:  -0.0377                                     
REMARK   3      T13:  -0.0974 T23:   0.0265                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0624 L22:   8.4207                                     
REMARK   3      L33:   7.3076 L12:   3.1920                                     
REMARK   3      L13:  -4.9924 L23:  -0.8546                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3493 S12:  -0.1911 S13:  -0.6770                       
REMARK   3      S21:  -0.1377 S22:  -0.2158 S23:  -0.0321                       
REMARK   3      S31:  -0.4503 S32:   0.4362 S33:  -0.0823                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 190:198)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.3422 -28.3811   4.7375              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3154 T22:   0.1523                                     
REMARK   3      T33:   0.2132 T12:  -0.0358                                     
REMARK   3      T13:  -0.0621 T23:  -0.0104                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.7214 L22:   2.2728                                     
REMARK   3      L33:   7.6527 L12:   0.2754                                     
REMARK   3      L13:  -2.9452 L23:  -1.2406                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1173 S12:  -0.0478 S13:  -0.1724                       
REMARK   3      S21:  -0.2200 S22:   0.2475 S23:   0.5485                       
REMARK   3      S31:   0.4555 S32:  -0.6467 S33:  -0.0870                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 199:206)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.4457 -22.0613 -11.5425              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5288 T22:   0.3238                                     
REMARK   3      T33:   0.2868 T12:   0.0305                                     
REMARK   3      T13:  -0.2040 T23:  -0.1289                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5103 L22:   4.4975                                     
REMARK   3      L33:   5.8225 L12:  -1.7972                                     
REMARK   3      L13:   3.2786 L23:  -0.9477                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1561 S12:   0.3326 S13:  -0.5366                       
REMARK   3      S21:  -1.1109 S22:  -0.0783 S23:   0.9874                       
REMARK   3      S31:   0.4023 S32:  -0.8603 S33:   1.1467                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 207:217)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.8907 -27.7848  -4.5033              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5152 T22:   0.3274                                     
REMARK   3      T33:   0.4761 T12:  -0.0607                                     
REMARK   3      T13:  -0.2537 T23:  -0.0455                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2032 L22:   6.4286                                     
REMARK   3      L33:   9.3190 L12:   0.9779                                     
REMARK   3      L13:  -1.7309 L23:  -0.9998                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2802 S12:   0.4688 S13:   0.4892                       
REMARK   3      S21:  -0.6585 S22:   0.0969 S23:   1.3801                       
REMARK   3      S31:  -0.6442 S32:  -1.0337 S33:   0.5610                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 35:40)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  21.4461 -22.3470  15.1940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1888 T22:   0.2283                                     
REMARK   3      T33:   0.2178 T12:   0.0162                                     
REMARK   3      T13:   0.0669 T23:   0.0309                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2158 L22:   8.8245                                     
REMARK   3      L33:   3.5516 L12:  -1.9682                                     
REMARK   3      L13:   1.4461 L23:   4.2900                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2244 S12:   0.4922 S13:  -0.7483                       
REMARK   3      S21:  -0.2453 S22:  -0.1095 S23:  -0.6185                       
REMARK   3      S31:   0.1415 S32:   0.1133 S33:  -0.0216                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 41:49)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  14.4894 -19.0440  31.3903              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1266 T22:   0.0806                                     
REMARK   3      T33:   0.1304 T12:  -0.0249                                     
REMARK   3      T13:  -0.0402 T23:   0.0170                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1722 L22:   4.3111                                     
REMARK   3      L33:   7.2438 L12:  -1.7766                                     
REMARK   3      L13:  -3.1119 L23:   0.7725                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0943 S12:  -0.0453 S13:  -0.4130                       
REMARK   3      S21:   0.4186 S22:  -0.0251 S23:  -0.0562                       
REMARK   3      S31:   0.3165 S32:  -0.2499 S33:   0.0998                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 50:55)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   3.7887 -16.8638  47.4778              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7279 T22:   0.8179                                     
REMARK   3      T33:   0.5100 T12:   0.0687                                     
REMARK   3      T13:   0.1255 T23:   0.1947                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5414 L22:   4.0442                                     
REMARK   3      L33:   6.8018 L12:   1.9019                                     
REMARK   3      L13:   4.1238 L23:   3.6241                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2026 S12:  -1.0440 S13:  -0.4428                       
REMARK   3      S21:   0.3895 S22:   0.5400 S23:   0.8546                       
REMARK   3      S31:  -0.4862 S32:  -0.6026 S33:  -0.5788                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 56:77)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  12.2681 -20.7683  28.4075              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1101 T22:   0.0987                                     
REMARK   3      T33:   0.1308 T12:  -0.0207                                     
REMARK   3      T13:  -0.0075 T23:   0.0165                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7803 L22:   1.8128                                     
REMARK   3      L33:   5.5115 L12:   0.5179                                     
REMARK   3      L13:  -1.2459 L23:  -0.5214                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0074 S12:  -0.0765 S13:  -0.1570                       
REMARK   3      S21:   0.2339 S22:  -0.0462 S23:  -0.0980                       
REMARK   3      S31:   0.1202 S32:  -0.0517 S33:  -0.0305                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 78:82)                              
REMARK   3    ORIGIN FOR THE GROUP (A):   1.8166 -18.6231  25.6333              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2161 T22:   0.2567                                     
REMARK   3      T33:   0.2184 T12:  -0.1063                                     
REMARK   3      T13:   0.0278 T23:  -0.0246                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1127 L22:   5.9361                                     
REMARK   3      L33:   5.5406 L12:  -5.9786                                     
REMARK   3      L13:  -4.2794 L23:   2.7439                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1469 S12:   0.1063 S13:  -0.3380                       
REMARK   3      S21:   0.4718 S22:  -0.1749 S23:   0.7661                       
REMARK   3      S31:   0.8002 S32:  -0.7635 S33:   0.2782                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 83:102)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  10.9576 -14.2423  34.2460              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1618 T22:   0.1376                                     
REMARK   3      T33:   0.1348 T12:  -0.0346                                     
REMARK   3      T13:   0.0179 T23:   0.0254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9828 L22:   3.1931                                     
REMARK   3      L33:   3.2555 L12:  -0.5336                                     
REMARK   3      L13:   0.3102 L23:   0.0804                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0394 S12:  -0.2559 S13:  -0.3298                       
REMARK   3      S21:   0.4967 S22:  -0.0781 S23:   0.1996                       
REMARK   3      S31:   0.0441 S32:  -0.3154 S33:  -0.0341                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 103:107)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  23.8917 -11.5973  39.6096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2511 T22:   0.2485                                     
REMARK   3      T33:   0.1812 T12:  -0.0594                                     
REMARK   3      T13:  -0.3185 T23:   0.1702                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8672 L22:   0.8271                                     
REMARK   3      L33:   5.2379 L12:  -0.7884                                     
REMARK   3      L13:  -0.9714 L23:   1.5458                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0927 S12:  -0.6345 S13:  -0.2934                       
REMARK   3      S21:   0.0735 S22:   0.1439 S23:  -0.2151                       
REMARK   3      S31:   0.3375 S32:   0.4474 S33:   1.3958                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 108:125)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   7.2530  -1.6225  30.3694              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1715 T22:   0.1459                                     
REMARK   3      T33:   0.1473 T12:  -0.0193                                     
REMARK   3      T13:   0.0204 T23:  -0.0023                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3557 L22:   3.2447                                     
REMARK   3      L33:   4.2201 L12:   0.5524                                     
REMARK   3      L13:   2.3414 L23:   0.1088                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0909 S12:  -0.2414 S13:   0.0099                       
REMARK   3      S21:   0.2695 S22:  -0.0540 S23:   0.4439                       
REMARK   3      S31:  -0.0154 S32:  -0.5063 S33:   0.0246                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 126:142)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.1471  -8.6840  21.6539              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0562 T22:   0.1049                                     
REMARK   3      T33:   0.0854 T12:  -0.0094                                     
REMARK   3      T13:   0.0079 T23:   0.0084                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7045 L22:   3.8660                                     
REMARK   3      L33:   3.6455 L12:  -1.0016                                     
REMARK   3      L13:  -0.7575 L23:  -0.0837                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0044 S12:   0.0148 S13:   0.0331                       
REMARK   3      S21:   0.0392 S22:  -0.0300 S23:   0.1108                       
REMARK   3      S31:  -0.0303 S32:  -0.1163 S33:   0.0155                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 143:147)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  27.3551  -5.3641  22.1282              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1370 T22:   0.2984                                     
REMARK   3      T33:   0.2929 T12:  -0.0094                                     
REMARK   3      T13:  -0.0142 T23:  -0.0043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9868 L22:   6.0032                                     
REMARK   3      L33:   7.3296 L12:   4.1630                                     
REMARK   3      L13:   0.2678 L23:  -0.4232                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0071 S12:   0.6404 S13:  -0.4226                       
REMARK   3      S21:  -0.2849 S22:   0.1431 S23:  -0.9678                       
REMARK   3      S31:   0.1459 S32:   1.2264 S33:   0.1459                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 148:170)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  13.3859  -5.9213  33.2917              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1483 T22:   0.0995                                     
REMARK   3      T33:   0.0807 T12:  -0.0059                                     
REMARK   3      T13:  -0.0143 T23:   0.0024                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1340 L22:   3.4247                                     
REMARK   3      L33:   3.1433 L12:   0.6907                                     
REMARK   3      L13:  -0.0808 L23:  -0.2039                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0429 S12:  -0.2369 S13:   0.1897                       
REMARK   3      S21:   0.3640 S22:  -0.0223 S23:  -0.0095                       
REMARK   3      S31:  -0.1433 S32:  -0.1150 S33:  -0.0214                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 171:180)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  25.3940   2.4575  27.9970              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1957 T22:   0.1653                                     
REMARK   3      T33:   0.1863 T12:  -0.0480                                     
REMARK   3      T13:  -0.0089 T23:   0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1064 L22:   3.8850                                     
REMARK   3      L33:   1.4452 L12:  -0.5217                                     
REMARK   3      L13:   1.4583 L23:  -2.2123                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0098 S12:   0.1649 S13:   0.4260                       
REMARK   3      S21:   0.3496 S22:  -0.2294 S23:  -0.5848                       
REMARK   3      S31:  -0.4777 S32:   0.4489 S33:   0.1314                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 181:186)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.3494   1.4157  20.4241              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1495 T22:   0.1207                                     
REMARK   3      T33:   0.1315 T12:  -0.0125                                     
REMARK   3      T13:  -0.0212 T23:   0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3677 L22:   6.5261                                     
REMARK   3      L33:   3.8911 L12:  -3.5150                                     
REMARK   3      L13:  -2.3718 L23:   4.9166                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0320 S12:   0.0376 S13:   0.3853                       
REMARK   3      S21:  -0.6460 S22:  -0.0949 S23:  -0.2035                       
REMARK   3      S31:  -0.5846 S32:   0.0292 S33:   0.1255                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 187:197)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  10.5635   5.5123  25.4199              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1299 T22:   0.1553                                     
REMARK   3      T33:   0.1377 T12:   0.0207                                     
REMARK   3      T13:   0.0004 T23:  -0.0156                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8578 L22:   2.8150                                     
REMARK   3      L33:   4.0007 L12:   1.4884                                     
REMARK   3      L13:   0.4393 L23:   1.6525                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0371 S12:  -0.0587 S13:   0.2840                       
REMARK   3      S21:   0.0916 S22:  -0.2158 S23:   0.3028                       
REMARK   3      S31:  -0.4154 S32:  -0.3377 S33:   0.2100                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 198:206)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  16.7203  -0.3840  42.8573              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4357 T22:   0.2788                                     
REMARK   3      T33:   0.1767 T12:  -0.1002                                     
REMARK   3      T13:  -0.0264 T23:  -0.0253                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1010 L22:   6.3505                                     
REMARK   3      L33:   4.4814 L12:   5.6653                                     
REMARK   3      L13:   1.8394 L23:  -1.2342                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2650 S12:  -0.7182 S13:   0.7376                       
REMARK   3      S21:   1.0497 S22:  -0.2893 S23:   0.5578                       
REMARK   3      S31:  -0.7342 S32:  -0.3859 S33:   0.8653                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 207:217)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  15.3755   5.9803  38.3048              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5028 T22:   0.3593                                     
REMARK   3      T33:   0.2552 T12:  -0.0105                                     
REMARK   3      T13:  -0.0579 T23:  -0.0012                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8004 L22:   5.3453                                     
REMARK   3      L33:   7.6105 L12:  -0.0952                                     
REMARK   3      L13:  -0.1665 L23:  -2.1763                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1457 S12:  -1.2403 S13:  -0.1053                       
REMARK   3      S21:   1.2069 S22:   0.0793 S23:   0.0750                       
REMARK   3      S31:  -0.4462 S32:  -0.5216 S33:  -0.0901                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 301)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.3876 -14.2448  -6.9007              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4531 T22:   0.4459                                     
REMARK   3      T33:   0.3678 T12:  -0.0281                                     
REMARK   3      T13:  -0.1000 T23:  -0.0573                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0673 L22:   1.1718                                     
REMARK   3      L33:   0.5523 L12:  -1.0509                                     
REMARK   3      L13:  -0.2179 L23:  -0.0492                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1672 S12:  -0.3704 S13:  -0.4209                       
REMARK   3      S21:   0.1558 S22:  -0.2861 S23:   0.8878                       
REMARK   3      S31:   0.1950 S32:  -1.0465 S33:  -0.0412                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 1000)                               
REMARK   3    ORIGIN FOR THE GROUP (A):   9.4619  -7.1835  43.0566              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3692 T22:   0.3256                                     
REMARK   3      T33:   0.2122 T12:  -0.0539                                     
REMARK   3      T13:   0.0108 T23:  -0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2678 L22:   4.9888                                     
REMARK   3      L33:   0.0352 L12:   2.4815                                     
REMARK   3      L13:  -0.1157 L23:  -0.2736                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0730 S12:  -0.3476 S13:   0.3936                       
REMARK   3      S21:   0.3344 S22:  -0.1192 S23:   0.7792                       
REMARK   3      S31:  -0.1525 S32:  -0.5956 S33:  -0.0257                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: (CHAIN A AND RESID 302)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.0189   2.4081   0.9273              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5469 T22:   0.3332                                     
REMARK   3      T33:   0.4627 T12:   0.0726                                     
REMARK   3      T13:  -0.0623 T23:  -0.0184                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1347 L22:   0.0852                                     
REMARK   3      L33:   0.0720 L12:   0.0435                                     
REMARK   3      L13:  -0.0935 L23:  -0.0171                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5830 S12:   0.1150 S13:   0.2532                       
REMARK   3      S21:   0.1232 S22:   0.0211 S23:   0.2059                       
REMARK   3      S31:   0.3948 S32:   0.4560 S33:   0.0017                       
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 4TQB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUN-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202041.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-JUL-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 80                                 
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91956                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 46347                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.590                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.390                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.1                               
REMARK 200  DATA REDUNDANCY                : 2.140                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.97                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000 12-20%, 100MM MES PH 6.5, 10%   
REMARK 280  IPN                                                                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       36.74000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 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 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 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     MET A    27                                                      
REMARK 465     VAL A    28                                                      
REMARK 465     ALA A    29                                                      
REMARK 465     ASN A    30                                                      
REMARK 465     PRO A    31                                                      
REMARK 465     GLU A    32                                                      
REMARK 465     MET B    27                                                      
REMARK 465     VAL B    28                                                      
REMARK 465     ALA B    29                                                      
REMARK 465     ASN B    30                                                      
REMARK 465     PRO B    31                                                      
REMARK 465     GLU B    32                                                      
REMARK 465     HIS B    33                                                      
REMARK 465     TYR B    34                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    ILE B    35     O    HOH B  1419              1.68            
REMARK 500   O    HOH B  1372     O    HOH B  1431              1.76            
REMARK 500   O    HOH A   477     O    HOH A   594              1.81            
REMARK 500   O    HOH B  1386     O    HOH B  1417              1.81            
REMARK 500   O    HOH A   629     O    HOH B  1378              1.84            
REMARK 500   O    HOH A   605     O    HOH A   624              1.87            
REMARK 500   O    HOH B  1350     O    HOH B  1351              1.91            
REMARK 500   O    HOH A   554     O    HOH A   662              1.91            
REMARK 500   O    HOH B  1377     O    HOH B  1397              1.92            
REMARK 500   O    HOH A   488     O    HOH A   643              1.93            
REMARK 500   O    HOH A   405     O    HOH A   464              1.94            
REMARK 500   O    HOH A   589     O    HOH A   617              1.95            
REMARK 500   O    HOH B  1378     O    HOH B  1400              1.96            
REMARK 500   O    HOH B  1172     O    HOH B  1189              1.98            
REMARK 500   O    HOH A   439     O    HOH A   480              1.99            
REMARK 500   O    HOH B  1106     O    HOH B  1135              1.99            
REMARK 500   O    HOH B  1140     O    HOH B  1174              2.01            
REMARK 500   O    HOH A   630     O    HOH B  1381              2.01            
REMARK 500   O    HOH A   628     O    HOH A   645              2.01            
REMARK 500   O    HOH B  1334     O    HOH B  1415              2.02            
REMARK 500   O    HOH B  1331     O    HOH B  1396              2.04            
REMARK 500   O    HOH B  1190     O    HOH B  1424              2.05            
REMARK 500   O    HOH A   594     O    HOH A   661              2.05            
REMARK 500   O    HOH A   494     O    HOH B  1203              2.05            
REMARK 500   O    HOH B  1164     O    HOH B  1165              2.05            
REMARK 500   OD1  ASN A    84     O    HOH A   660              2.07            
REMARK 500   O    HOH A   569     O    HOH A   646              2.07            
REMARK 500   O    HOH A   651     O    HOH A   656              2.08            
REMARK 500   O    HOH B  1141     O    HOH B  1155              2.09            
REMARK 500   O    HOH B  1339     O    HOH B  1388              2.09            
REMARK 500   OD1  ASP B   202     O    HOH B  1373              2.10            
REMARK 500   O    HOH B  1114     O    HOH B  1119              2.10            
REMARK 500   NH2  ARG A   214     O    HOH A   657              2.10            
REMARK 500   OE1  GLN B    80     O    HOH B  1330              2.10            
REMARK 500   O    HOH A   580     O    HOH A   646              2.11            
REMARK 500   O    HOH B  1322     O    HOH B  1349              2.11            
REMARK 500   O    HOH B  1180     O    HOH B  1415              2.11            
REMARK 500   O    HOH B  1359     O    HOH B  1412              2.11            
REMARK 500   O    HOH B  1103     O    HOH B  1373              2.12            
REMARK 500   O    HOH A   407     O    HOH A   472              2.13            
REMARK 500   OE1  GLN B    80     O    HOH B  1371              2.13            
REMARK 500   O    ARG A   123     O    HOH A   578              2.14            
REMARK 500   O    HOH B  1333     O    HOH B  1353              2.15            
REMARK 500   OE2  GLU B   185     O    HOH B  1101              2.15            
REMARK 500   O    HOH B  1277     O    HOH B  1345              2.15            
REMARK 500   O    HOH B  1369     O    HOH B  1429              2.15            
REMARK 500   O    HOH A   496     O    HOH A   599              2.16            
REMARK 500   OH   TYR A   145     OE2  GLU A   174              2.17            
REMARK 500   OE1  GLN B   120     O    HOH B  1366              2.17            
REMARK 500   OE1  GLU B   105     O    HOH B  1102              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   445     O    HOH A   485     2655     2.03            
REMARK 500   O    HOH A   473     O    HOH B  1182     1454     2.09            
REMARK 500   O    HOH A   473     O    HOH B  1171     1454     2.18            
REMARK 500   O    HOH A   479     O    HOH A   620     1655     2.17            
REMARK 500   O    HOH A   621     O    HOH B  1208     2655     2.07            
REMARK 500   O    HOH B  1172     O    HOH B  1178     1655     2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A  51       96.40   -165.42                                   
REMARK 500    ILE A  63      -63.52    -90.15                                   
REMARK 500    ASP A  67       18.80   -146.01                                   
REMARK 500    ASP A 125      -38.43   -139.01                                   
REMARK 500    ASP A 143     -129.36     56.37                                   
REMARK 500    LYS A 206     -122.68   -148.06                                   
REMARK 500    ASP B  67       23.44   -147.32                                   
REMARK 500    ASP B 143     -135.04     56.24                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 599        DISTANCE =  5.93 ANGSTROMS                       
REMARK 525    HOH A 608        DISTANCE =  6.13 ANGSTROMS                       
REMARK 525    HOH A 609        DISTANCE =  5.87 ANGSTROMS                       
REMARK 525    HOH A 631        DISTANCE =  5.92 ANGSTROMS                       
REMARK 525    HOH A 635        DISTANCE =  6.42 ANGSTROMS                       
REMARK 525    HOH B1388        DISTANCE =  6.55 ANGSTROMS                       
REMARK 525    HOH B1391        DISTANCE =  6.18 ANGSTROMS                       
REMARK 525    HOH B1392        DISTANCE =  5.89 ANGSTROMS                       
REMARK 525    HOH B1394        DISTANCE =  6.27 ANGSTROMS                       
REMARK 525    HOH B1401        DISTANCE =  6.19 ANGSTROMS                       
REMARK 525    HOH B1410        DISTANCE =  7.11 ANGSTROMS                       
REMARK 525    HOH B1421        DISTANCE =  6.35 ANGSTROMS                       
REMARK 525    HOH B1422        DISTANCE = 10.05 ANGSTROMS                       
REMARK 525    HOH B1427        DISTANCE =  7.24 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MGT A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 34K A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 303                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MGT B 1000                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4TPW   RELATED DB: PDB                                   
REMARK 900 4TPW CONTAINS THE SAME PROTEIN WITH A SIMILAR COMPOUND               
REMARK 900 RELATED ID: 4TQC   RELATED DB: PDB                                   
DBREF  4TQB A   28   217  UNP    P06730   IF4E_HUMAN      28    217             
DBREF  4TQB B   28   217  UNP    P06730   IF4E_HUMAN      28    217             
SEQADV 4TQB MET A   27  UNP  P06730              INITIATING METHIONINE          
SEQADV 4TQB MET B   27  UNP  P06730              INITIATING METHIONINE          
SEQRES   1 A  191  MET VAL ALA ASN PRO GLU HIS TYR ILE LYS HIS PRO LEU          
SEQRES   2 A  191  GLN ASN ARG TRP ALA LEU TRP PHE PHE LYS ASN ASP LYS          
SEQRES   3 A  191  SER LYS THR TRP GLN ALA ASN LEU ARG LEU ILE SER LYS          
SEQRES   4 A  191  PHE ASP THR VAL GLU ASP PHE TRP ALA LEU TYR ASN HIS          
SEQRES   5 A  191  ILE GLN LEU SER SER ASN LEU MET PRO GLY CYS ASP TYR          
SEQRES   6 A  191  SER LEU PHE LYS ASP GLY ILE GLU PRO MET TRP GLU ASP          
SEQRES   7 A  191  GLU LYS ASN LYS ARG GLY GLY ARG TRP LEU ILE THR LEU          
SEQRES   8 A  191  ASN LYS GLN GLN ARG ARG SER ASP LEU ASP ARG PHE TRP          
SEQRES   9 A  191  LEU GLU THR LEU LEU CYS LEU ILE GLY GLU SER PHE ASP          
SEQRES  10 A  191  ASP TYR SER ASP ASP VAL CYS GLY ALA VAL VAL ASN VAL          
SEQRES  11 A  191  ARG ALA LYS GLY ASP LYS ILE ALA ILE TRP THR THR GLU          
SEQRES  12 A  191  CYS GLU ASN ARG GLU ALA VAL THR HIS ILE GLY ARG VAL          
SEQRES  13 A  191  TYR LYS GLU ARG LEU GLY LEU PRO PRO LYS ILE VAL ILE          
SEQRES  14 A  191  GLY TYR GLN SER HIS ALA ASP THR ALA THR LYS SER GLY          
SEQRES  15 A  191  SER THR THR LYS ASN ARG PHE VAL VAL                          
SEQRES   1 B  191  MET VAL ALA ASN PRO GLU HIS TYR ILE LYS HIS PRO LEU          
SEQRES   2 B  191  GLN ASN ARG TRP ALA LEU TRP PHE PHE LYS ASN ASP LYS          
SEQRES   3 B  191  SER LYS THR TRP GLN ALA ASN LEU ARG LEU ILE SER LYS          
SEQRES   4 B  191  PHE ASP THR VAL GLU ASP PHE TRP ALA LEU TYR ASN HIS          
SEQRES   5 B  191  ILE GLN LEU SER SER ASN LEU MET PRO GLY CYS ASP TYR          
SEQRES   6 B  191  SER LEU PHE LYS ASP GLY ILE GLU PRO MET TRP GLU ASP          
SEQRES   7 B  191  GLU LYS ASN LYS ARG GLY GLY ARG TRP LEU ILE THR LEU          
SEQRES   8 B  191  ASN LYS GLN GLN ARG ARG SER ASP LEU ASP ARG PHE TRP          
SEQRES   9 B  191  LEU GLU THR LEU LEU CYS LEU ILE GLY GLU SER PHE ASP          
SEQRES  10 B  191  ASP TYR SER ASP ASP VAL CYS GLY ALA VAL VAL ASN VAL          
SEQRES  11 B  191  ARG ALA LYS GLY ASP LYS ILE ALA ILE TRP THR THR GLU          
SEQRES  12 B  191  CYS GLU ASN ARG GLU ALA VAL THR HIS ILE GLY ARG VAL          
SEQRES  13 B  191  TYR LYS GLU ARG LEU GLY LEU PRO PRO LYS ILE VAL ILE          
SEQRES  14 B  191  GLY TYR GLN SER HIS ALA ASP THR ALA THR LYS SER GLY          
SEQRES  15 B  191  SER THR THR LYS ASN ARG PHE VAL VAL                          
HET    MGT  A 301      47                                                       
HET    34K  A 302      40                                                       
HET    MES  A 303      24                                                       
HET    MGT  B1000      47                                                       
HETNAM     MGT 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE                       
HETNAM     34K (2E)-2-{2-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-                      
HETNAM   2 34K  YL]HYDRAZINYLIDENE}-3-(2-NITROPHENYL)PROPANOIC ACID             
HETNAM     MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID                             
FORMUL   3  MGT    2(C11 H20 N5 O14 P3)                                         
FORMUL   4  34K    C18 H13 BR N4 O4 S                                           
FORMUL   5  MES    C6 H13 N O4 S                                                
FORMUL   7  HOH   *594(H2 O)                                                    
HELIX    1 AA1 THR A   55  ALA A   58  5                                   4    
HELIX    2 AA2 VAL A   69  SER A   83  1                                  15    
HELIX    3 AA3 ASN A  118  ARG A  123  5                                   6    
HELIX    4 AA4 ASP A  125  GLY A  139  1                                  15    
HELIX    5 AA5 PHE A  142  ASP A  147  5                                   6    
HELIX    6 AA6 ASN A  172  GLY A  188  1                                  17    
HELIX    7 AA7 HIS A  200  ALA A  204  1                                   5    
HELIX    8 AA8 THR B   55  ALA B   58  5                                   4    
HELIX    9 AA9 VAL B   69  ASN B   77  1                                   9    
HELIX   10 AB1 LEU B   81  LEU B   85  5                                   5    
HELIX   11 AB2 ASN B  118  ASP B  125  1                                   8    
HELIX   12 AB3 ASP B  125  GLY B  139  1                                  15    
HELIX   13 AB4 PHE B  142  ASP B  147  5                                   6    
HELIX   14 AB5 ASN B  172  LEU B  187  1                                  16    
HELIX   15 AB6 HIS B  200  THR B  205  1                                   6    
SHEET    1 AA1 8 LEU A  60  THR A  68  0                                        
SHEET    2 AA1 8 PRO A  38  LYS A  49 -1  N  PHE A  47   O  ARG A  61           
SHEET    3 AA1 8 CYS A  89  LYS A  95 -1  O  SER A  92   N  TRP A  46           
SHEET    4 AA1 8 VAL A 149  ASN A 155 -1  O  VAL A 154   N  TYR A  91           
SHEET    5 AA1 8 LYS A 162  THR A 167 -1  O  TRP A 166   N  CYS A 150           
SHEET    6 AA1 8 GLY A 111  THR A 116 -1  N  ILE A 115   O  ILE A 163           
SHEET    7 AA1 8 GLY A 196  SER A 199 -1  O  GLY A 196   N  LEU A 114           
SHEET    8 AA1 8 PHE A 215  VAL A 216 -1  O  PHE A 215   N  TYR A 197           
SHEET    1 AA2 8 LEU B  60  THR B  68  0                                        
SHEET    2 AA2 8 PRO B  38  PHE B  48 -1  N  TRP B  43   O  PHE B  66           
SHEET    3 AA2 8 ASP B  90  LYS B  95 -1  O  SER B  92   N  TRP B  46           
SHEET    4 AA2 8 VAL B 149  ASN B 155 -1  O  VAL B 154   N  TYR B  91           
SHEET    5 AA2 8 LYS B 162  THR B 167 -1  O  TRP B 166   N  CYS B 150           
SHEET    6 AA2 8 GLY B 111  THR B 116 -1  N  ILE B 115   O  ILE B 163           
SHEET    7 AA2 8 GLY B 196  SER B 199 -1  O  GLY B 196   N  LEU B 114           
SHEET    8 AA2 8 PHE B 215  VAL B 216 -1  O  PHE B 215   N  TYR B 197           
SITE     1 AC1 18 TRP A  56  MET A 101  TRP A 102  GLU A 103                    
SITE     2 AC1 18 ARG A 157  LYS A 162  GLY A 208  HOH A 432                    
SITE     3 AC1 18 HOH A 451  HOH A 523  HOH A 531  HOH A 533                    
SITE     4 AC1 18 HOH A 536  HOH A 544  HOH A 574  HOH A 605                    
SITE     5 AC1 18 HOH A 624  THR B  55                                          
SITE     1 AC2  7 PHE A  47  LYS A  49  ASN A  59  ARG A  61                    
SITE     2 AC2  7 ILE A  63  ILE A  79  HOH A 406                               
SITE     1 AC3  8 VAL A  69  LEU A 135  ARG A 186  HOH A 417                    
SITE     2 AC3  8 HOH A 514  HOH A 517  HOH A 627  TRP B  73                    
SITE     1 AC4 15 HOH A 451  TRP B  56  MET B 101  TRP B 102                    
SITE     2 AC4 15 GLU B 103  ARG B 157  LYS B 162  HOH B1117                    
SITE     3 AC4 15 HOH B1125  HOH B1239  HOH B1243  HOH B1246                    
SITE     4 AC4 15 HOH B1254  HOH B1268  HOH B1280                               
CRYST1   39.830   73.480   66.260  90.00 106.66  90.00 P 1 21 1      4          
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      0.025107  0.000000  0.007511        0.00000                         
SCALE2      0.000000  0.013609  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015753        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system