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Database: PDB
Entry: 4FYV
LinkDB: 4FYV
Original site: 4FYV 
HEADER    TRANSFERASE                             05-JUL-12   4FYV              
TITLE     ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH DCTP                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN;            
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 SYNONYM: ASPARTATE TRANSCARBAMYLASE, ATCASE;                         
COMPND   5 EC: 2.1.3.2;                                                         
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN;           
COMPND   8 CHAIN: B, D                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 83333;                                               
SOURCE   4 STRAIN: K12;                                                         
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   7 ORGANISM_TAXID: 83333;                                               
SOURCE   8 STRAIN: K12                                                          
KEYWDS    ALLOSTERIC REGULATION, ASPARTATE CARBAMOYLTRANSFERASE, ESCHERICHIA    
KEYWDS   2 COLI, TRANSFERASE                                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.M.COCKRELL,E.R.KANTROWITZ                                           
REVDAT   3   28-FEB-24 4FYV    1       REMARK LINK                              
REVDAT   2   15-NOV-17 4FYV    1       REMARK                                   
REVDAT   1   10-OCT-12 4FYV    0                                                
JRNL        AUTH   G.M.COCKRELL,E.R.KANTROWITZ                                  
JRNL        TITL   METAL ION INVOLVEMENT IN THE ALLOSTERIC MECHANISM OF         
JRNL        TITL 2 ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE.                
JRNL        REF    BIOCHEMISTRY                  V.  51  7128 2012              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   22906065                                                     
JRNL        DOI    10.1021/BI300920M                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 49.06                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 70565                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.177                           
REMARK   3   R VALUE            (WORKING SET) : 0.175                           
REMARK   3   FREE R VALUE                     : 0.215                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.050                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3564                            
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 49.0756 -  6.1295    1.00     2902   136  0.1674 0.1671        
REMARK   3     2  6.1295 -  4.8666    1.00     2764   135  0.1668 0.1911        
REMARK   3     3  4.8666 -  4.2518    1.00     2720   167  0.1417 0.1716        
REMARK   3     4  4.2518 -  3.8632    1.00     2717   139  0.1478 0.1950        
REMARK   3     5  3.8632 -  3.5864    1.00     2715   130  0.1699 0.2114        
REMARK   3     6  3.5864 -  3.3750    1.00     2679   153  0.1759 0.2049        
REMARK   3     7  3.3750 -  3.2060    1.00     2708   141  0.1867 0.2395        
REMARK   3     8  3.2060 -  3.0665    1.00     2662   141  0.1914 0.2313        
REMARK   3     9  3.0665 -  2.9485    1.00     2654   159  0.1885 0.2488        
REMARK   3    10  2.9485 -  2.8467    1.00     2702   140  0.1974 0.2693        
REMARK   3    11  2.8467 -  2.7577    1.00     2653   148  0.1950 0.2572        
REMARK   3    12  2.7577 -  2.6789    1.00     2683   134  0.1879 0.2394        
REMARK   3    13  2.6789 -  2.6084    1.00     2672   145  0.1865 0.2499        
REMARK   3    14  2.6084 -  2.5447    1.00     2668   134  0.1882 0.2087        
REMARK   3    15  2.5447 -  2.4869    1.00     2685   133  0.1785 0.2473        
REMARK   3    16  2.4869 -  2.4340    1.00     2635   150  0.1881 0.2552        
REMARK   3    17  2.4340 -  2.3853    1.00     2681   143  0.1890 0.2376        
REMARK   3    18  2.3853 -  2.3403    1.00     2643   138  0.1919 0.2394        
REMARK   3    19  2.3403 -  2.2985    1.00     2657   132  0.1977 0.2447        
REMARK   3    20  2.2985 -  2.2595    1.00     2667   144  0.1933 0.2592        
REMARK   3    21  2.2595 -  2.2231    1.00     2630   132  0.1945 0.2354        
REMARK   3    22  2.2231 -  2.1889    1.00     2684   152  0.1949 0.2499        
REMARK   3    23  2.1889 -  2.1567    1.00     2622   157  0.2053 0.2756        
REMARK   3    24  2.1567 -  2.1263    1.00     2648   146  0.2129 0.2907        
REMARK   3    25  2.1263 -  2.0976    0.96     2550   135  0.2158 0.2451        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.30                                          
REMARK   3   SHRINKAGE RADIUS   : 1.10                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.190            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.460           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 56.72                          
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           7270                                  
REMARK   3   ANGLE     :  1.122           9870                                  
REMARK   3   CHIRALITY :  0.076           1144                                  
REMARK   3   PLANARITY :  0.005           1274                                  
REMARK   3   DIHEDRAL  : 15.069           2710                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 22                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 1:66)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  43.0142  36.2077   2.8460              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3251 T22:   0.4207                                     
REMARK   3      T33:   0.2742 T12:   0.0252                                     
REMARK   3      T13:  -0.0409 T23:   0.0244                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2083 L22:   0.2045                                     
REMARK   3      L33:   0.1552 L12:   0.0909                                     
REMARK   3      L13:  -0.1535 L23:   0.1061                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0615 S12:   0.1993 S13:  -0.0413                       
REMARK   3      S21:  -0.1728 S22:   0.1437 S23:   0.0921                       
REMARK   3      S31:  -0.0986 S32:  -0.1349 S33:   0.0005                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 67:87)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  54.5015  43.2931  19.4348              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3750 T22:   0.3824                                     
REMARK   3      T33:   0.2408 T12:   0.0617                                     
REMARK   3      T13:  -0.0518 T23:   0.0810                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2204 L22:   0.0748                                     
REMARK   3      L33:   0.0049 L12:   0.1302                                     
REMARK   3      L13:  -0.0134 L23:  -0.0129                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1162 S12:  -0.0132 S13:  -0.2181                       
REMARK   3      S21:   0.0722 S22:   0.0804 S23:  -0.1938                       
REMARK   3      S31:  -0.3600 S32:  -0.0987 S33:  -0.0039                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 88:187)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  35.4717  36.0137  12.5245              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2686 T22:   0.4383                                     
REMARK   3      T33:   0.2473 T12:   0.0089                                     
REMARK   3      T13:  -0.0347 T23:   0.0121                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3216 L22:   0.0502                                     
REMARK   3      L33:   0.1591 L12:   0.0964                                     
REMARK   3      L13:  -0.0208 L23:   0.0290                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0145 S12:   0.1170 S13:   0.1049                       
REMARK   3      S21:   0.0082 S22:   0.0417 S23:   0.0872                       
REMARK   3      S31:  -0.1158 S32:  -0.2945 S33:   0.0003                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 188:236)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  25.0448  25.5641  22.2165              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3445 T22:   0.5481                                     
REMARK   3      T33:   0.3779 T12:   0.0116                                     
REMARK   3      T13:  -0.0088 T23:   0.0176                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0868 L22:   0.3129                                     
REMARK   3      L33:   0.1406 L12:  -0.0246                                     
REMARK   3      L13:  -0.0563 L23:  -0.0328                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1770 S12:  -0.2245 S13:  -0.0951                       
REMARK   3      S21:   0.3516 S22:   0.2799 S23:   0.2776                       
REMARK   3      S31:   0.0382 S32:  -0.4388 S33:  -0.0000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 237:265)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  30.8585  14.4080  22.4179              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4623 T22:   0.3618                                     
REMARK   3      T33:   0.4638 T12:  -0.1715                                     
REMARK   3      T13:   0.0422 T23:  -0.0081                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4569 L22:   0.7816                                     
REMARK   3      L33:   0.2390 L12:  -0.5672                                     
REMARK   3      L13:   0.0920 L23:  -0.2373                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3702 S12:  -0.1355 S13:  -0.3146                       
REMARK   3      S21:   0.2345 S22:   0.2078 S23:   0.0694                       
REMARK   3      S31:   0.1333 S32:  -0.3371 S33:  -0.1220                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 266:310)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  40.2187  24.2335   7.4632              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3695 T22:   0.3822                                     
REMARK   3      T33:   0.2653 T12:  -0.0516                                     
REMARK   3      T13:  -0.0541 T23:  -0.0084                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4337 L22:   0.2162                                     
REMARK   3      L33:   0.1462 L12:  -0.1754                                     
REMARK   3      L13:  -0.2485 L23:   0.1947                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1659 S12:   0.2401 S13:  -0.0573                       
REMARK   3      S21:  -0.1663 S22:   0.0676 S23:  -0.0803                       
REMARK   3      S31:   0.1473 S32:  -0.2228 S33:  -0.0003                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 10:25)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  18.7581  78.3023  28.2748              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0283 T22:   0.7281                                     
REMARK   3      T33:   0.7996 T12:   0.8543                                     
REMARK   3      T13:  -0.4160 T23:  -0.5067                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0976 L22:   0.0213                                     
REMARK   3      L33:   0.0989 L12:   0.0060                                     
REMARK   3      L13:  -0.0503 L23:  -0.0485                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1580 S12:   0.1708 S13:   0.0912                       
REMARK   3      S21:  -0.3530 S22:  -0.2130 S23:   0.2132                       
REMARK   3      S31:  -0.3107 S32:  -0.1623 S33:  -0.1227                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 26:32)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  27.4494  69.3552  32.2569              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7789 T22:   0.6063                                     
REMARK   3      T33:   0.5808 T12:   0.9487                                     
REMARK   3      T13:  -0.2407 T23:  -0.4628                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0139 L22:   0.0755                                     
REMARK   3      L33:   0.0740 L12:   0.0096                                     
REMARK   3      L13:  -0.0294 L23:   0.0189                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0362 S12:  -0.0689 S13:   0.0060                       
REMARK   3      S21:  -0.0761 S22:  -0.0442 S23:  -0.0114                       
REMARK   3      S31:  -0.0693 S32:  -0.0602 S33:  -0.0539                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 33:42)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  31.1332  78.2855  25.6164              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4333 T22:   0.6350                                     
REMARK   3      T33:   0.6383 T12:   0.6672                                     
REMARK   3      T13:  -0.3339 T23:   0.0213                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1176 L22:   0.0848                                     
REMARK   3      L33:   0.1229 L12:  -0.0352                                     
REMARK   3      L13:  -0.0699 L23:   0.1001                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0039 S12:   0.1261 S13:   0.1575                       
REMARK   3      S21:  -0.0745 S22:   0.0036 S23:  -0.0072                       
REMARK   3      S31:  -0.3042 S32:   0.0376 S33:   0.0742                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 43:62)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  17.1411  76.7262  35.1916              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9814 T22:   1.0660                                     
REMARK   3      T33:   1.0358 T12:   0.9400                                     
REMARK   3      T13:  -0.2790 T23:  -0.5659                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0059 L22:   0.0351                                     
REMARK   3      L33:   0.0192 L12:  -0.0199                                     
REMARK   3      L13:   0.0068 L23:  -0.0143                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0976 S12:  -0.0674 S13:   0.0839                       
REMARK   3      S21:  -0.1891 S22:  -0.0279 S23:  -0.0694                       
REMARK   3      S31:  -0.0348 S32:  -0.1289 S33:  -0.0907                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 63:101)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2060  72.5104  20.6010              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1321 T22:   0.9045                                     
REMARK   3      T33:   1.0034 T12:   0.9462                                     
REMARK   3      T13:  -0.6066 T23:  -0.4316                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3519 L22:   0.1617                                     
REMARK   3      L33:   0.0209 L12:  -0.1373                                     
REMARK   3      L13:  -0.0540 L23:  -0.0460                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1216 S12:   0.2885 S13:  -0.2678                       
REMARK   3      S21:  -0.2572 S22:   0.0041 S23:   0.1249                       
REMARK   3      S31:  -0.3116 S32:  -0.2343 S33:   0.0140                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 102:129)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  32.7121  53.7452  23.4863              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3350 T22:   0.3782                                     
REMARK   3      T33:   0.2881 T12:   0.1536                                     
REMARK   3      T13:  -0.0445 T23:  -0.1167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5286 L22:   0.8138                                     
REMARK   3      L33:   0.3343 L12:   0.4126                                     
REMARK   3      L13:  -0.2958 L23:  -0.4736                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1077 S12:  -0.0818 S13:  -0.0545                       
REMARK   3      S21:  -0.2450 S22:  -0.3538 S23:   0.1604                       
REMARK   3      S31:  -0.3024 S32:  -0.2648 S33:  -0.1360                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 130:153)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  25.5340  49.5740  26.5364              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2320 T22:   0.5580                                     
REMARK   3      T33:   0.6466 T12:   0.0458                                     
REMARK   3      T13:  -0.0037 T23:  -0.2650                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1923 L22:   0.1280                                     
REMARK   3      L33:   0.0003 L12:  -0.1584                                     
REMARK   3      L13:  -0.0199 L23:  -0.0231                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1700 S12:  -0.3055 S13:   0.2916                       
REMARK   3      S21:  -0.0441 S22:  -0.4254 S23:   0.7297                       
REMARK   3      S31:   0.0374 S32:  -0.3561 S33:  -0.1812                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 1:66)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  63.1546  52.0084  67.2396              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2858 T22:   0.2433                                     
REMARK   3      T33:   0.2698 T12:  -0.0176                                     
REMARK   3      T13:   0.0146 T23:  -0.0297                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4401 L22:   0.2980                                     
REMARK   3      L33:   0.3705 L12:   0.1676                                     
REMARK   3      L13:   0.3457 L23:  -0.1663                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1308 S12:  -0.1505 S13:   0.0934                       
REMARK   3      S21:   0.1130 S22:  -0.0193 S23:  -0.0168                       
REMARK   3      S31:  -0.1190 S32:  -0.0267 S33:  -0.0000                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 67:134)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  52.7328  49.4615  55.5340              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2623 T22:   0.2388                                     
REMARK   3      T33:   0.3019 T12:  -0.0094                                     
REMARK   3      T13:  -0.0134 T23:  -0.0007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2462 L22:   0.1857                                     
REMARK   3      L33:   0.0562 L12:   0.0187                                     
REMARK   3      L13:  -0.0519 L23:  -0.0381                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0411 S12:   0.0015 S13:  -0.0131                       
REMARK   3      S21:   0.0315 S22:   0.0420 S23:   0.0399                       
REMARK   3      S31:  -0.0039 S32:  -0.0889 S33:   0.0000                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 135:217)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  75.8735  67.2375  54.6561              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3178 T22:   0.2488                                     
REMARK   3      T33:   0.3253 T12:  -0.0386                                     
REMARK   3      T13:  -0.0520 T23:   0.0319                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4725 L22:   0.3797                                     
REMARK   3      L33:   0.2921 L12:  -0.1746                                     
REMARK   3      L13:  -0.2811 L23:  -0.0022                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0598 S12:   0.0948 S13:   0.2471                       
REMARK   3      S21:  -0.1799 S22:  -0.0710 S23:   0.0277                       
REMARK   3      S31:  -0.2105 S32:  -0.0238 S33:  -0.0000                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 218:242)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  80.2758  58.9031  44.6016              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3634 T22:   0.2798                                     
REMARK   3      T33:   0.3095 T12:   0.0108                                     
REMARK   3      T13:   0.0172 T23:  -0.0001                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0734 L22:   0.1063                                     
REMARK   3      L33:   0.1111 L12:  -0.0458                                     
REMARK   3      L13:  -0.0792 L23:  -0.1002                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2006 S12:  -0.0091 S13:   0.0578                       
REMARK   3      S21:  -0.3612 S22:  -0.1690 S23:  -0.2828                       
REMARK   3      S31:   0.0014 S32:  -0.0178 S33:  -0.0012                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 243:310)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  80.0372  54.1796  59.0980              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2235 T22:   0.2341                                     
REMARK   3      T33:   0.2834 T12:  -0.0264                                     
REMARK   3      T13:  -0.0014 T23:  -0.0171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2380 L22:   0.7804                                     
REMARK   3      L33:   0.1826 L12:  -0.1830                                     
REMARK   3      L13:   0.1344 L23:  -0.1768                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0312 S12:  -0.0281 S13:  -0.0524                       
REMARK   3      S21:   0.0265 S22:  -0.1356 S23:  -0.2045                       
REMARK   3      S31:   0.0033 S32:   0.0618 S33:   0.0000                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 10:32)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  30.4607  82.8826  40.6546              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2087 T22:   0.1872                                     
REMARK   3      T33:   0.4208 T12:   0.7728                                     
REMARK   3      T13:  -0.1422 T23:  -0.0080                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0282 L22:   0.3523                                     
REMARK   3      L33:   0.2823 L12:  -0.1002                                     
REMARK   3      L13:   0.0274 L23:   0.0652                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2695 S12:  -0.3026 S13:   0.3021                       
REMARK   3      S21:  -0.3921 S22:   0.0195 S23:   0.1684                       
REMARK   3      S31:  -0.4529 S32:  -0.5310 S33:  -0.1889                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 33:67)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  28.3646  82.3875  40.7523              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0125 T22:   0.4134                                     
REMARK   3      T33:   0.5836 T12:   0.3776                                     
REMARK   3      T13:  -0.1395 T23:  -0.1434                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3265 L22:   0.0537                                     
REMARK   3      L33:   0.3339 L12:   0.1955                                     
REMARK   3      L13:   0.6823 L23:   0.1014                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1010 S12:  -0.5593 S13:   0.1773                       
REMARK   3      S21:  -0.2636 S22:  -0.1414 S23:   0.1943                       
REMARK   3      S31:  -0.4416 S32:  -0.5396 S33:  -0.1093                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 68:101)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  35.4976  85.9711  49.1733              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8932 T22:   0.4767                                     
REMARK   3      T33:   0.6948 T12:   0.2992                                     
REMARK   3      T13:  -0.1365 T23:  -0.1582                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0341 L22:   0.8712                                     
REMARK   3      L33:   0.3956 L12:  -0.0775                                     
REMARK   3      L13:   0.0372 L23:  -0.2702                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3481 S12:  -0.3498 S13:   0.2352                       
REMARK   3      S21:  -0.2255 S22:  -0.2732 S23:  -0.2008                       
REMARK   3      S31:  -0.4619 S32:  -0.5366 S33:  -0.3979                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 102:153)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  51.3286  69.2825  45.4841              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3555 T22:   0.2790                                     
REMARK   3      T33:   0.4174 T12:   0.0367                                     
REMARK   3      T13:   0.0086 T23:   0.0885                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1731 L22:   0.1542                                     
REMARK   3      L33:   0.1736 L12:  -0.1588                                     
REMARK   3      L13:  -0.0514 L23:   0.0118                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1610 S12:   0.3504 S13:   0.1914                       
REMARK   3      S21:  -0.1638 S22:  -0.0476 S23:   0.0320                       
REMARK   3      S31:  -0.0782 S32:  -0.0448 S33:   0.0001                       
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 4FYV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUL-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000073524.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-JAN-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.7                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X29A                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.075                              
REMARK 200  MONOCHROMATOR                  : ROSENBAUM-ROCK DOUBLE CRYSTAL      
REMARK 200                                   SAGITTAL FOCUSING MONOCHROMATOR    
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 70569                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.098                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 23.10                              
REMARK 200  R MERGE                    (I) : 0.10700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 21.10                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.56200                            
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: NULL                         
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.73                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.91                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 40 MM SODIUM CITRATE, 1 MM 2             
REMARK 280  -MERCAPTOETHANOL, 0.2 MM EDTA, 1.0 MM DCTP, PH 5.7,                 
REMARK 280  MICRODIALYSIS, TEMPERATURE 298K                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z                                               
REMARK 290       6555   -X,-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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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: DODECAMERIC                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC                
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 30540 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 106730 ANGSTROM**2                      
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -92.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000      120.68000            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000       60.34000            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000      104.51195            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 597  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH C 559  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH C 606  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET B     1                                                      
REMARK 465     THR B     2                                                      
REMARK 465     HIS B     3                                                      
REMARK 465     ASP B     4                                                      
REMARK 465     ASN B     5                                                      
REMARK 465     LYS B     6                                                      
REMARK 465     LEU B     7                                                      
REMARK 465     GLN B     8                                                      
REMARK 465     VAL B     9                                                      
REMARK 465     MET D     1                                                      
REMARK 465     THR D     2                                                      
REMARK 465     HIS D     3                                                      
REMARK 465     ASP D     4                                                      
REMARK 465     ASN D     5                                                      
REMARK 465     LYS D     6                                                      
REMARK 465     LEU D     7                                                      
REMARK 465     GLN D     8                                                      
REMARK 465     VAL D     9                                                      
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    HOH C   557     O    HOH C   603              2.04            
REMARK 500   OE1  GLN D    24     O    HOH D   369              2.08            
REMARK 500   ND2  ASN D    47     O    HOH D   369              2.08            
REMARK 500   OE1  GLU B    62     O    HOH B   346              2.09            
REMARK 500   O    HOH A   541     O    HOH A   645              2.10            
REMARK 500   OH   TYR C    98     O    HOH C   599              2.11            
REMARK 500   OD2  ASP A   153     O    HOH A   634              2.11            
REMARK 500   O    THR B    38     O    HOH D   369              2.14            
REMARK 500   O    HOH A   599     O    HOH A   630              2.14            
REMARK 500   O    LYS D    56     O    HOH D   337              2.16            
REMARK 500   O2   PO4 A   401     O    HOH A   646              2.16            
REMARK 500   O    HOH B   330     O    HOH B   348              2.16            
REMARK 500   OE2  GLU A   204     O    HOH A   622              2.17            
REMARK 500   O    HOH C   517     O    HOH C   526              2.18            
REMARK 500   O    ASN C   121     O    HOH C   528              2.18            
REMARK 500   OE2  GLU B   144     O    HOH B   330              2.19            
REMARK 500   O    HOH A   610     O    HOH A   617              2.19            
REMARK 500   O    LYS B    60     O    HOH B   346              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH C   514     O    HOH C   522     3665     2.15            
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    SER A  52       91.00   -161.57                                   
REMARK 500    ASP A  75     -111.71    -92.30                                   
REMARK 500    SER A  76      -15.25     68.50                                   
REMARK 500    THR A  79      -66.75   -137.99                                   
REMARK 500    SER A  80        0.88   -151.70                                   
REMARK 500    LYS A  83      -98.51     49.12                                   
REMARK 500    ASN A 132      -90.93    -91.28                                   
REMARK 500    HIS A 134       62.14   -158.88                                   
REMARK 500    GLN A 231       81.77    -55.74                                   
REMARK 500    LEU A 267      152.25     72.25                                   
REMARK 500    VAL A 270      -35.90    -38.06                                   
REMARK 500    GLU B  37       38.68    -95.34                                   
REMARK 500    SER B  50      -48.51   -138.62                                   
REMARK 500    ARG B  55     -136.73     62.08                                   
REMARK 500    ALA B  81     -169.15    -71.19                                   
REMARK 500    THR B  82      117.29   -160.48                                   
REMARK 500    ASN B  88      -66.69   -126.57                                   
REMARK 500    TYR B  89      -41.52   -138.00                                   
REMARK 500    VAL B  91      171.80    -57.53                                   
REMARK 500    VAL B  92      -60.78   -127.73                                   
REMARK 500    ASN B 105      -39.35     74.03                                   
REMARK 500    ASN B 132      -10.54     78.08                                   
REMARK 500    SER C  76     -106.05    -89.15                                   
REMARK 500    ASN C  78     -155.04   -134.18                                   
REMARK 500    THR C  79      150.60    157.51                                   
REMARK 500    SER C  80     -151.78    -84.17                                   
REMARK 500    ASN C 132      -88.92    -89.84                                   
REMARK 500    HIS C 134       65.85   -153.97                                   
REMARK 500    GLN C 231       69.65    -68.40                                   
REMARK 500    LEU C 267      154.61     72.71                                   
REMARK 500    ASP C 271       -5.82     73.08                                   
REMARK 500    TRP C 284       20.64   -140.92                                   
REMARK 500    ALA D  11      172.66    -59.11                                   
REMARK 500    PRO D  49       98.78    -39.74                                   
REMARK 500    GLU D  52       27.47    -76.47                                   
REMARK 500    MET D  53     -175.69   -172.02                                   
REMARK 500    ALA D  78       61.30   -160.49                                   
REMARK 500    TYR D  89       -5.74     68.62                                   
REMARK 500    ASN D 105      -45.37     77.34                                   
REMARK 500    ASN D 132       -9.25     92.14                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN B 201  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 109   SG                                                     
REMARK 620 2 CYS B 114   SG  116.8                                              
REMARK 620 3 CYS B 138   SG  112.1 106.1                                        
REMARK 620 4 CYS B 141   SG  101.5 114.4 105.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN D 201  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 109   SG                                                     
REMARK 620 2 CYS D 114   SG  116.1                                              
REMARK 620 3 CYS D 138   SG  112.0 107.6                                        
REMARK 620 4 CYS D 141   SG  101.8 113.1 105.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DCP B 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DCP D 202                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4FYW   RELATED DB: PDB                                   
REMARK 900 ATCASE COMPLEXED WITH CTP                                            
REMARK 900 RELATED ID: 4FYX   RELATED DB: PDB                                   
REMARK 900 ATCASE COMPLEXED WITH DCTP, UTP, AND MG2+                            
REMARK 900 RELATED ID: 4FYY   RELATED DB: PDB                                   
REMARK 900 ATCASE COMPLEXED WITH CTP, UTP, AND MG2+                             
DBREF  4FYV A    1   310  UNP    P0A786   PYRB_ECOLI       2    311             
DBREF  4FYV B    1   153  UNP    P0A7F3   PYRI_ECOLI       1    153             
DBREF  4FYV C    1   310  UNP    P0A786   PYRB_ECOLI       2    311             
DBREF  4FYV D    1   153  UNP    P0A7F3   PYRI_ECOLI       1    153             
SEQRES   1 A  310  ALA ASN PRO LEU TYR GLN LYS HIS ILE ILE SER ILE ASN          
SEQRES   2 A  310  ASP LEU SER ARG ASP ASP LEU ASN LEU VAL LEU ALA THR          
SEQRES   3 A  310  ALA ALA LYS LEU LYS ALA ASN PRO GLN PRO GLU LEU LEU          
SEQRES   4 A  310  LYS HIS LYS VAL ILE ALA SER CYS PHE PHE GLU ALA SER          
SEQRES   5 A  310  THR ARG THR ARG LEU SER PHE GLU THR SER MET HIS ARG          
SEQRES   6 A  310  LEU GLY ALA SER VAL VAL GLY PHE SER ASP SER ALA ASN          
SEQRES   7 A  310  THR SER LEU GLY LYS LYS GLY GLU THR LEU ALA ASP THR          
SEQRES   8 A  310  ILE SER VAL ILE SER THR TYR VAL ASP ALA ILE VAL MET          
SEQRES   9 A  310  ARG HIS PRO GLN GLU GLY ALA ALA ARG LEU ALA THR GLU          
SEQRES  10 A  310  PHE SER GLY ASN VAL PRO VAL LEU ASN ALA GLY ASP GLY          
SEQRES  11 A  310  SER ASN GLN HIS PRO THR GLN THR LEU LEU ASP LEU PHE          
SEQRES  12 A  310  THR ILE GLN GLU THR GLN GLY ARG LEU ASP ASN LEU HIS          
SEQRES  13 A  310  VAL ALA MET VAL GLY ASP LEU LYS TYR GLY ARG THR VAL          
SEQRES  14 A  310  HIS SER LEU THR GLN ALA LEU ALA LYS PHE ASP GLY ASN          
SEQRES  15 A  310  ARG PHE TYR PHE ILE ALA PRO ASP ALA LEU ALA MET PRO          
SEQRES  16 A  310  GLN TYR ILE LEU ASP MET LEU ASP GLU LYS GLY ILE ALA          
SEQRES  17 A  310  TRP SER LEU HIS SER SER ILE GLU GLU VAL MET ALA GLU          
SEQRES  18 A  310  VAL ASP ILE LEU TYR MET THR ARG VAL GLN LYS GLU ARG          
SEQRES  19 A  310  LEU ASP PRO SER GLU TYR ALA ASN VAL LYS ALA GLN PHE          
SEQRES  20 A  310  VAL LEU ARG ALA SER ASP LEU HIS ASN ALA LYS ALA ASN          
SEQRES  21 A  310  MET LYS VAL LEU HIS PRO LEU PRO ARG VAL ASP GLU ILE          
SEQRES  22 A  310  ALA THR ASP VAL ASP LYS THR PRO HIS ALA TRP TYR PHE          
SEQRES  23 A  310  GLN GLN ALA GLY ASN GLY ILE PHE ALA ARG GLN ALA LEU          
SEQRES  24 A  310  LEU ALA LEU VAL LEU ASN ARG ASP LEU VAL LEU                  
SEQRES   1 B  153  MET THR HIS ASP ASN LYS LEU GLN VAL GLU ALA ILE LYS          
SEQRES   2 B  153  ARG GLY THR VAL ILE ASP HIS ILE PRO ALA GLN ILE GLY          
SEQRES   3 B  153  PHE LYS LEU LEU SER LEU PHE LYS LEU THR GLU THR ASP          
SEQRES   4 B  153  GLN ARG ILE THR ILE GLY LEU ASN LEU PRO SER GLY GLU          
SEQRES   5 B  153  MET GLY ARG LYS ASP LEU ILE LYS ILE GLU ASN THR PHE          
SEQRES   6 B  153  LEU SER GLU ASP GLN VAL ASP GLN LEU ALA LEU TYR ALA          
SEQRES   7 B  153  PRO GLN ALA THR VAL ASN ARG ILE ASP ASN TYR GLU VAL          
SEQRES   8 B  153  VAL GLY LYS SER ARG PRO SER LEU PRO GLU ARG ILE ASP          
SEQRES   9 B  153  ASN VAL LEU VAL CYS PRO ASN SER ASN CYS ILE SER HIS          
SEQRES  10 B  153  ALA GLU PRO VAL SER SER SER PHE ALA VAL ARG LYS ARG          
SEQRES  11 B  153  ALA ASN ASP ILE ALA LEU LYS CYS LYS TYR CYS GLU LYS          
SEQRES  12 B  153  GLU PHE SER HIS ASN VAL VAL LEU ALA ASN                      
SEQRES   1 C  310  ALA ASN PRO LEU TYR GLN LYS HIS ILE ILE SER ILE ASN          
SEQRES   2 C  310  ASP LEU SER ARG ASP ASP LEU ASN LEU VAL LEU ALA THR          
SEQRES   3 C  310  ALA ALA LYS LEU LYS ALA ASN PRO GLN PRO GLU LEU LEU          
SEQRES   4 C  310  LYS HIS LYS VAL ILE ALA SER CYS PHE PHE GLU ALA SER          
SEQRES   5 C  310  THR ARG THR ARG LEU SER PHE GLU THR SER MET HIS ARG          
SEQRES   6 C  310  LEU GLY ALA SER VAL VAL GLY PHE SER ASP SER ALA ASN          
SEQRES   7 C  310  THR SER LEU GLY LYS LYS GLY GLU THR LEU ALA ASP THR          
SEQRES   8 C  310  ILE SER VAL ILE SER THR TYR VAL ASP ALA ILE VAL MET          
SEQRES   9 C  310  ARG HIS PRO GLN GLU GLY ALA ALA ARG LEU ALA THR GLU          
SEQRES  10 C  310  PHE SER GLY ASN VAL PRO VAL LEU ASN ALA GLY ASP GLY          
SEQRES  11 C  310  SER ASN GLN HIS PRO THR GLN THR LEU LEU ASP LEU PHE          
SEQRES  12 C  310  THR ILE GLN GLU THR GLN GLY ARG LEU ASP ASN LEU HIS          
SEQRES  13 C  310  VAL ALA MET VAL GLY ASP LEU LYS TYR GLY ARG THR VAL          
SEQRES  14 C  310  HIS SER LEU THR GLN ALA LEU ALA LYS PHE ASP GLY ASN          
SEQRES  15 C  310  ARG PHE TYR PHE ILE ALA PRO ASP ALA LEU ALA MET PRO          
SEQRES  16 C  310  GLN TYR ILE LEU ASP MET LEU ASP GLU LYS GLY ILE ALA          
SEQRES  17 C  310  TRP SER LEU HIS SER SER ILE GLU GLU VAL MET ALA GLU          
SEQRES  18 C  310  VAL ASP ILE LEU TYR MET THR ARG VAL GLN LYS GLU ARG          
SEQRES  19 C  310  LEU ASP PRO SER GLU TYR ALA ASN VAL LYS ALA GLN PHE          
SEQRES  20 C  310  VAL LEU ARG ALA SER ASP LEU HIS ASN ALA LYS ALA ASN          
SEQRES  21 C  310  MET LYS VAL LEU HIS PRO LEU PRO ARG VAL ASP GLU ILE          
SEQRES  22 C  310  ALA THR ASP VAL ASP LYS THR PRO HIS ALA TRP TYR PHE          
SEQRES  23 C  310  GLN GLN ALA GLY ASN GLY ILE PHE ALA ARG GLN ALA LEU          
SEQRES  24 C  310  LEU ALA LEU VAL LEU ASN ARG ASP LEU VAL LEU                  
SEQRES   1 D  153  MET THR HIS ASP ASN LYS LEU GLN VAL GLU ALA ILE LYS          
SEQRES   2 D  153  ARG GLY THR VAL ILE ASP HIS ILE PRO ALA GLN ILE GLY          
SEQRES   3 D  153  PHE LYS LEU LEU SER LEU PHE LYS LEU THR GLU THR ASP          
SEQRES   4 D  153  GLN ARG ILE THR ILE GLY LEU ASN LEU PRO SER GLY GLU          
SEQRES   5 D  153  MET GLY ARG LYS ASP LEU ILE LYS ILE GLU ASN THR PHE          
SEQRES   6 D  153  LEU SER GLU ASP GLN VAL ASP GLN LEU ALA LEU TYR ALA          
SEQRES   7 D  153  PRO GLN ALA THR VAL ASN ARG ILE ASP ASN TYR GLU VAL          
SEQRES   8 D  153  VAL GLY LYS SER ARG PRO SER LEU PRO GLU ARG ILE ASP          
SEQRES   9 D  153  ASN VAL LEU VAL CYS PRO ASN SER ASN CYS ILE SER HIS          
SEQRES  10 D  153  ALA GLU PRO VAL SER SER SER PHE ALA VAL ARG LYS ARG          
SEQRES  11 D  153  ALA ASN ASP ILE ALA LEU LYS CYS LYS TYR CYS GLU LYS          
SEQRES  12 D  153  GLU PHE SER HIS ASN VAL VAL LEU ALA ASN                      
HET    PO4  A 401       5                                                       
HET     ZN  B 201       1                                                       
HET    DCP  B 202      28                                                       
HET     ZN  D 201       1                                                       
HET    DCP  D 202      28                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
HETNAM      ZN ZINC ION                                                         
HETNAM     DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE                                 
FORMUL   5  PO4    O4 P 3-                                                      
FORMUL   6   ZN    2(ZN 2+)                                                     
FORMUL   7  DCP    2(C9 H16 N3 O13 P3)                                          
FORMUL  10  HOH   *496(H2 O)                                                    
HELIX    1   1 SER A   11  LEU A   15  5                                   5    
HELIX    2   2 SER A   16  ASN A   33  1                                  18    
HELIX    3   3 SER A   52  LEU A   66  1                                  15    
HELIX    4   4 THR A   87  SER A   96  1                                  10    
HELIX    5   5 GLY A  110  GLU A  117  1                                   8    
HELIX    6   6 HIS A  134  GLY A  150  1                                  17    
HELIX    7   7 GLY A  166  ALA A  177  1                                  12    
HELIX    8   8 PRO A  189  ALA A  193  5                                   5    
HELIX    9   9 PRO A  195  LYS A  205  1                                  11    
HELIX   10  10 SER A  214  VAL A  218  5                                   5    
HELIX   11  11 ASP A  236  LYS A  244  1                                   9    
HELIX   12  12 ALA A  245  VAL A  248  5                                   4    
HELIX   13  13 ARG A  250  HIS A  255  5                                   6    
HELIX   14  14 ALA A  274  ASP A  278  5                                   5    
HELIX   15  15 TRP A  284  ASN A  305  1                                  22    
HELIX   16  16 ILE B   25  PHE B   33  1                                   9    
HELIX   17  17 SER B   67  GLN B   73  1                                   7    
HELIX   18  18 HIS B  147  LEU B  151  1                                   5    
HELIX   19  19 SER C   11  LEU C   15  5                                   5    
HELIX   20  20 SER C   16  ASN C   33  1                                  18    
HELIX   21  21 SER C   52  LEU C   66  1                                  15    
HELIX   22  22 THR C   87  SER C   96  1                                  10    
HELIX   23  23 GLY C  110  GLU C  117  1                                   8    
HELIX   24  24 HIS C  134  GLY C  150  1                                  17    
HELIX   25  25 GLY C  166  ALA C  177  1                                  12    
HELIX   26  26 PRO C  189  ALA C  193  5                                   5    
HELIX   27  27 PRO C  195  LYS C  205  1                                  11    
HELIX   28  28 SER C  214  VAL C  218  5                                   5    
HELIX   29  29 GLN C  231  LEU C  235  5                                   5    
HELIX   30  30 ASP C  236  VAL C  243  1                                   8    
HELIX   31  31 ARG C  250  HIS C  255  5                                   6    
HELIX   32  32 ALA C  274  ASP C  278  5                                   5    
HELIX   33  33 TRP C  284  ASN C  305  1                                  22    
HELIX   34  34 ILE D   25  PHE D   33  1                                   9    
HELIX   35  35 SER D   67  GLN D   73  1                                   7    
HELIX   36  36 HIS D  147  ALA D  152  1                                   6    
SHEET    1   A 4 SER A  69  SER A  74  0                                        
SHEET    2   A 4 VAL A  43  PHE A  48  1  N  SER A  46   O  VAL A  71           
SHEET    3   A 4 ALA A 101  HIS A 106  1  O  VAL A 103   N  CYS A  47           
SHEET    4   A 4 VAL A 124  ASP A 129  1  O  ALA A 127   N  MET A 104           
SHEET    1   B 5 TRP A 209  HIS A 212  0                                        
SHEET    2   B 5 ARG A 183  ILE A 187  1  N  PHE A 186   O  SER A 210           
SHEET    3   B 5 HIS A 156  VAL A 160  1  N  VAL A 157   O  ARG A 183           
SHEET    4   B 5 ILE A 224  MET A 227  1  O  TYR A 226   N  ALA A 158           
SHEET    5   B 5 LYS A 262  LEU A 264  1  O  LEU A 264   N  MET A 227           
SHEET    1   C10 VAL B  91  SER B  95  0                                        
SHEET    2   C10 THR B  82  ILE B  86 -1  N  VAL B  83   O  SER B  95           
SHEET    3   C10 GLY B  15  PRO B  22 -1  N  ASP B  19   O  THR B  82           
SHEET    4   C10 LYS B  56  GLU B  62 -1  O  ILE B  61   N  THR B  16           
SHEET    5   C10 ILE B  42  LEU B  48 -1  N  GLY B  45   O  LEU B  58           
SHEET    6   C10 ILE D  42  LEU D  46 -1  O  LEU D  46   N  ILE B  42           
SHEET    7   C10 LYS D  56  GLU D  62 -1  O  LYS D  60   N  THR D  43           
SHEET    8   C10 GLY D  15  PRO D  22 -1  N  ILE D  21   O  ASP D  57           
SHEET    9   C10 THR D  82  ASP D  87 -1  O  THR D  82   N  ASP D  19           
SHEET   10   C10 GLU D  90  SER D  95 -1  O  GLY D  93   N  ARG D  85           
SHEET    1   D 4 ARG B 102  ASP B 104  0                                        
SHEET    2   D 4 SER B 124  LYS B 129 -1  O  PHE B 125   N  ILE B 103           
SHEET    3   D 4 ILE B 134  CYS B 138 -1  O  ALA B 135   N  ARG B 128           
SHEET    4   D 4 GLU B 144  SER B 146 -1  O  PHE B 145   N  LEU B 136           
SHEET    1   E 4 SER C  69  SER C  74  0                                        
SHEET    2   E 4 VAL C  43  PHE C  48  1  N  SER C  46   O  VAL C  71           
SHEET    3   E 4 ALA C 101  HIS C 106  1  O  VAL C 103   N  CYS C  47           
SHEET    4   E 4 VAL C 124  ASP C 129  1  O  LEU C 125   N  ILE C 102           
SHEET    1   F 5 TRP C 209  LEU C 211  0                                        
SHEET    2   F 5 ARG C 183  ILE C 187  1  N  PHE C 186   O  SER C 210           
SHEET    3   F 5 HIS C 156  GLY C 161  1  N  MET C 159   O  TYR C 185           
SHEET    4   F 5 ILE C 224  THR C 228  1  O  TYR C 226   N  ALA C 158           
SHEET    5   F 5 LYS C 262  LEU C 264  1  O  LEU C 264   N  MET C 227           
SHEET    1   G 4 ARG D 102  ASP D 104  0                                        
SHEET    2   G 4 SER D 124  ARG D 130 -1  O  PHE D 125   N  ILE D 103           
SHEET    3   G 4 ASP D 133  CYS D 138 -1  O  ALA D 135   N  ARG D 128           
SHEET    4   G 4 GLU D 144  SER D 146 -1  O  PHE D 145   N  LEU D 136           
LINK         SG  CYS B 109                ZN    ZN B 201     1555   1555  2.36  
LINK         SG  CYS B 114                ZN    ZN B 201     1555   1555  2.31  
LINK         SG  CYS B 138                ZN    ZN B 201     1555   1555  2.37  
LINK         SG  CYS B 141                ZN    ZN B 201     1555   1555  2.26  
LINK         SG  CYS D 109                ZN    ZN D 201     1555   1555  2.35  
LINK         SG  CYS D 114                ZN    ZN D 201     1555   1555  2.28  
LINK         SG  CYS D 138                ZN    ZN D 201     1555   1555  2.33  
LINK         SG  CYS D 141                ZN    ZN D 201     1555   1555  2.38  
CISPEP   1 LEU A  267    PRO A  268          0        -0.83                     
CISPEP   2 LEU C   81    GLY C   82          0        -2.60                     
CISPEP   3 LEU C  267    PRO C  268          0        -0.50                     
SITE     1 AC1  7 ARG A  54  THR A  55  ARG A 105  HIS A 134                    
SITE     2 AC1  7 LEU A 267  HOH A 625  HOH A 646                               
SITE     1 AC2  4 CYS B 109  CYS B 114  CYS B 138  CYS B 141                    
SITE     1 AC3  8 ALA B  11  ILE B  12  VAL B  17  LYS B  60                    
SITE     2 AC3  8 ILE B  86  TYR B  89  HOH B 323  HOH B 328                    
SITE     1 AC4  4 CYS D 109  CYS D 114  CYS D 138  CYS D 141                    
SITE     1 AC5 11 ILE D  12  VAL D  17  ASP D  19  HIS D  20                    
SITE     2 AC5 11 GLU D  52  LYS D  60  ASN D  84  ILE D  86                    
SITE     3 AC5 11 TYR D  89  VAL D  91  LYS D  94                               
CRYST1  120.680  120.680  142.523  90.00  90.00 120.00 P 3 2 1      12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.008286  0.004784  0.000000        0.00000                         
SCALE2      0.000000  0.009568  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007016        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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