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Database: PDB
Entry: 6ATI
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HEADER    IMMUNE SYSTEM                           29-AUG-17   6ATI              
TITLE     HLA-DRB1*1402 IN COMPLEX WITH VIMENTIN-64CIT59-71                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN;   
COMPND   3 CHAIN: A, D;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 26-206;                                       
COMPND   5 SYNONYM: MHC CLASS II ANTIGEN DRA;                                   
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: MHC CLASS II ANTIGEN;                                      
COMPND   9 CHAIN: B, E;                                                         
COMPND  10 FRAGMENT: UNP RESIDUES 30-219;                                       
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 MOL_ID: 3;                                                           
COMPND  13 MOLECULE: VIMENTIN-64CIT59-71;                                       
COMPND  14 CHAIN: C, F;                                                         
COMPND  15 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: HLA-DRA, HLA-DRA1;                                             
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: HLA-DRB1;                                                      
SOURCE  13 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 SYNTHETIC: YES;                                                      
SOURCE  17 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  18 ORGANISM_TAXID: 9606                                                 
KEYWDS    HLA CLASS II, IMMUNE SYSTEM                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.W.SCALLY,Y.T.TING,J.ROSSJOHN                                        
REVDAT   3   29-JUL-20 6ATI    1       COMPND REMARK HETNAM LINK                
REVDAT   3 2                   1       SITE                                     
REVDAT   2   18-OCT-17 6ATI    1       JRNL                                     
REVDAT   1   13-SEP-17 6ATI    0                                                
JRNL        AUTH   S.W.SCALLY,S.C.LAW,Y.T.TING,J.V.HEEMST,J.SOKOLOVE,           
JRNL        AUTH 2 A.J.DEUTSCH,E.BRIDIE CLEMENS,A.K.MOUSTAKAS,G.K.PAPADOPOULOS, 
JRNL        AUTH 3 D.V.WOUDE,I.SMOLIK,C.A.HITCHON,D.B.ROBINSON,E.D.FERUCCI,     
JRNL        AUTH 4 C.N.BERNSTEIN,X.MENG,V.ANAPARTI,T.HUIZINGA,K.KEDZIERSKA,     
JRNL        AUTH 5 H.H.REID,S.RAYCHAUDHURI,R.E.TOES,J.ROSSJOHN,H.EL-GABALAWY,   
JRNL        AUTH 6 R.THOMAS                                                     
JRNL        TITL   MOLECULAR BASIS FOR INCREASED SUSCEPTIBILITY OF INDIGENOUS   
JRNL        TITL 2 NORTH AMERICANS TO SEROPOSITIVE RHEUMATOID ARTHRITIS.        
JRNL        REF    ANN. RHEUM. DIS.              V.  76  1915 2017              
JRNL        REFN                   ISSN 1468-2060                               
JRNL        PMID   28801345                                                     
JRNL        DOI    10.1136/ANNRHEUMDIS-2017-211300                              
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.98 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.98                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.63                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 63283                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.192                           
REMARK   3   R VALUE            (WORKING SET) : 0.190                           
REMARK   3   FREE R VALUE                     : 0.233                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.070                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3210                            
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 33.6339 -  5.6225    1.00     2701   140  0.1970 0.2289        
REMARK   3     2  5.6225 -  4.4660    1.00     2662   144  0.1483 0.1799        
REMARK   3     3  4.4660 -  3.9025    1.00     2633   142  0.1426 0.1631        
REMARK   3     4  3.9025 -  3.5461    1.00     2622   152  0.1731 0.2332        
REMARK   3     5  3.5461 -  3.2921    1.00     2618   135  0.1632 0.1937        
REMARK   3     6  3.2921 -  3.0982    1.00     2647   120  0.1753 0.2171        
REMARK   3     7  3.0982 -  2.9431    1.00     2619   155  0.1788 0.2187        
REMARK   3     8  2.9431 -  2.8151    1.00     2616   147  0.1836 0.2126        
REMARK   3     9  2.8151 -  2.7068    1.00     2619   128  0.1796 0.2500        
REMARK   3    10  2.7068 -  2.6134    1.00     2622   127  0.1955 0.2262        
REMARK   3    11  2.6134 -  2.5317    1.00     2621   166  0.1877 0.2501        
REMARK   3    12  2.5317 -  2.4594    1.00     2600   138  0.1857 0.2432        
REMARK   3    13  2.4594 -  2.3946    1.00     2618   132  0.1859 0.2075        
REMARK   3    14  2.3946 -  2.3362    1.00     2628   126  0.1922 0.2404        
REMARK   3    15  2.3362 -  2.2831    1.00     2614   161  0.1951 0.2289        
REMARK   3    16  2.2831 -  2.2345    0.97     2505   134  0.3747 0.4297        
REMARK   3    17  2.2345 -  2.1899    0.99     2580   147  0.2393 0.3019        
REMARK   3    18  2.1899 -  2.1485    1.00     2632   131  0.1906 0.2387        
REMARK   3    19  2.1485 -  2.1102    1.00     2610   131  0.1878 0.2346        
REMARK   3    20  2.1102 -  2.0744    1.00     2599   138  0.2186 0.2558        
REMARK   3    21  2.0744 -  2.0410    0.99     2569   150  0.2827 0.3482        
REMARK   3    22  2.0410 -  2.0096    1.00     2605   130  0.1946 0.2485        
REMARK   3    23  2.0096 -  1.9800    0.98     2533   136  0.1876 0.2390        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.190            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.760           
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      :  0.004           6524                                  
REMARK   3   ANGLE     :  0.885           8869                                  
REMARK   3   CHIRALITY :  0.037            962                                  
REMARK   3   PLANARITY :  0.004           1157                                  
REMARK   3   DIHEDRAL  : 13.169           2361                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 23                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 3 THROUGH 45 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -39.1055   0.0061 112.7153              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0940 T22:   0.0738                                     
REMARK   3      T33:   0.1067 T12:   0.0157                                     
REMARK   3      T13:   0.0088 T23:   0.0021                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0601 L22:   0.3307                                     
REMARK   3      L33:   1.7576 L12:   0.5490                                     
REMARK   3      L13:  -0.4381 L23:  -0.4602                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0394 S12:   0.0338 S13:   0.1473                       
REMARK   3      S21:   0.0831 S22:   0.0376 S23:   0.0784                       
REMARK   3      S31:  -0.1454 S32:   0.0555 S33:  -0.0285                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 46 THROUGH 55 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -40.1083   7.2113 101.0186              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1742 T22:   0.2154                                     
REMARK   3      T33:   0.2479 T12:   0.0813                                     
REMARK   3      T13:  -0.0184 T23:   0.1246                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6214 L22:   2.0511                                     
REMARK   3      L33:   1.6874 L12:  -1.0774                                     
REMARK   3      L13:   0.4411 L23:  -0.1976                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0726 S12:   0.3706 S13:   0.5190                       
REMARK   3      S21:  -0.1447 S22:  -0.0724 S23:  -0.3187                       
REMARK   3      S31:  -0.2394 S32:  -0.0609 S33:   0.1490                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 56 THROUGH 76 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -49.6192  -4.2995 123.9769              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1417 T22:   0.1111                                     
REMARK   3      T33:   0.1118 T12:   0.0087                                     
REMARK   3      T13:   0.0203 T23:  -0.0437                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3389 L22:   2.0693                                     
REMARK   3      L33:   3.1321 L12:   0.1147                                     
REMARK   3      L13:  -0.0295 L23:  -1.5868                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0443 S12:  -0.1279 S13:   0.2040                       
REMARK   3      S21:   0.0411 S22:  -0.0227 S23:   0.2471                       
REMARK   3      S31:  -0.0903 S32:  -0.2264 S33:   0.0107                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 77 THROUGH 87 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -35.9023 -10.3020 132.5161              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1071 T22:   0.0799                                     
REMARK   3      T33:   0.1074 T12:   0.0200                                     
REMARK   3      T13:   0.0114 T23:   0.0391                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7487 L22:   0.1097                                     
REMARK   3      L33:   1.3465 L12:   0.2969                                     
REMARK   3      L13:  -1.7582 L23:   0.0340                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0380 S12:  -0.1741 S13:  -0.0169                       
REMARK   3      S21:   0.1214 S22:  -0.0828 S23:  -0.0705                       
REMARK   3      S31:   0.0162 S32:  -0.0185 S33:   0.0608                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 88 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -12.2881   5.5619 109.7946              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1780 T22:   0.2295                                     
REMARK   3      T33:   0.1968 T12:  -0.0506                                     
REMARK   3      T13:   0.0052 T23:  -0.0151                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6303 L22:   1.6740                                     
REMARK   3      L33:   2.7188 L12:   0.1052                                     
REMARK   3      L13:  -0.2951 L23:  -0.4611                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2772 S12:   0.2325 S13:   0.1583                       
REMARK   3      S21:  -0.3603 S22:   0.1990 S23:  -0.2100                       
REMARK   3      S31:  -0.0540 S32:   0.1384 S33:   0.0270                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 103 THROUGH 123 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -22.8871   2.4495 120.1782              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1242 T22:   0.0698                                     
REMARK   3      T33:   0.0938 T12:  -0.0026                                     
REMARK   3      T13:  -0.0132 T23:   0.0006                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0525 L22:   0.5915                                     
REMARK   3      L33:   1.0058 L12:   0.6464                                     
REMARK   3      L13:  -0.5121 L23:  -0.4106                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0199 S12:  -0.0017 S13:   0.0657                       
REMARK   3      S21:   0.0314 S22:  -0.0114 S23:   0.0117                       
REMARK   3      S31:  -0.0520 S32:   0.0630 S33:   0.0271                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 124 THROUGH 144 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -26.2238   2.7544 118.2998              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1171 T22:   0.0748                                     
REMARK   3      T33:   0.1206 T12:  -0.0005                                     
REMARK   3      T13:  -0.0012 T23:   0.0007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2908 L22:   0.4500                                     
REMARK   3      L33:   1.0630 L12:   0.2149                                     
REMARK   3      L13:   0.5796 L23:   0.1418                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1334 S12:   0.1818 S13:   0.0619                       
REMARK   3      S21:  -0.0922 S22:   0.0531 S23:   0.2542                       
REMARK   3      S31:  -0.1557 S32:   0.0770 S33:   0.0559                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 145 THROUGH 160 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -17.3963   7.4127 115.0413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1855 T22:   0.1157                                     
REMARK   3      T33:   0.1390 T12:  -0.0380                                     
REMARK   3      T13:   0.0065 T23:  -0.0137                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8149 L22:   0.7299                                     
REMARK   3      L33:   1.1378 L12:  -0.2380                                     
REMARK   3      L13:  -0.3490 L23:  -0.1756                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0479 S12:  -0.0359 S13:   0.2284                       
REMARK   3      S21:   0.0591 S22:   0.0233 S23:  -0.1054                       
REMARK   3      S31:  -0.1586 S32:   0.1467 S33:  -0.0405                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 161 THROUGH 181 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.2846   2.4545 124.6195              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1590 T22:   0.1919                                     
REMARK   3      T33:   0.1144 T12:  -0.0447                                     
REMARK   3      T13:  -0.0162 T23:  -0.0276                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2209 L22:   1.2878                                     
REMARK   3      L33:   0.6121 L12:   0.7242                                     
REMARK   3      L13:   0.0406 L23:  -0.3983                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1493 S12:  -0.4512 S13:   0.0488                       
REMARK   3      S21:   0.1154 S22:  -0.1451 S23:  -0.0727                       
REMARK   3      S31:  -0.0203 S32:   0.3462 S33:   0.0453                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 2 THROUGH 89 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -46.3219 -13.5975 112.5581              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0729 T22:   0.0969                                     
REMARK   3      T33:   0.0901 T12:   0.0151                                     
REMARK   3      T13:   0.0029 T23:  -0.0035                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9556 L22:   0.7149                                     
REMARK   3      L33:   0.8842 L12:   0.3476                                     
REMARK   3      L13:  -0.2031 L23:  -0.0802                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0308 S12:   0.1379 S13:   0.0098                       
REMARK   3      S21:  -0.0127 S22:   0.0333 S23:   0.0519                       
REMARK   3      S31:   0.1303 S32:  -0.0778 S33:  -0.0151                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 90 THROUGH 190 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.3379  -6.6536  98.9496              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1061 T22:   0.1318                                     
REMARK   3      T33:   0.1295 T12:  -0.0038                                     
REMARK   3      T13:   0.0049 T23:   0.0343                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8735 L22:   0.8244                                     
REMARK   3      L33:   1.0063 L12:  -0.7327                                     
REMARK   3      L13:  -0.2218 L23:  -0.1591                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0368 S12:   0.2373 S13:   0.0625                       
REMARK   3      S21:  -0.0579 S22:  -0.1065 S23:  -0.1742                       
REMARK   3      S31:   0.0568 S32:   0.1365 S33:   0.0516                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 3 THROUGH 55 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -22.8496 -40.0802 110.3617              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1012 T22:   0.0892                                     
REMARK   3      T33:   0.1459 T12:   0.0229                                     
REMARK   3      T13:  -0.0082 T23:  -0.0280                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4373 L22:   0.6418                                     
REMARK   3      L33:   2.0256 L12:   0.2181                                     
REMARK   3      L13:   0.1504 L23:   0.1513                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0056 S12:   0.1523 S13:  -0.2378                       
REMARK   3      S21:  -0.0720 S22:  -0.0218 S23:  -0.1166                       
REMARK   3      S31:   0.2906 S32:   0.0777 S33:   0.0570                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 56 THROUGH 76 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.6161 -34.3416 123.8958              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1357 T22:   0.1374                                     
REMARK   3      T33:   0.1557 T12:   0.0216                                     
REMARK   3      T13:  -0.0162 T23:   0.0495                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1336 L22:   2.2615                                     
REMARK   3      L33:   3.2639 L12:   0.1667                                     
REMARK   3      L13:   0.0828 L23:   1.8958                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0411 S12:  -0.1111 S13:  -0.2400                       
REMARK   3      S21:   0.0386 S22:  -0.0917 S23:  -0.1988                       
REMARK   3      S31:   0.0729 S32:   0.1866 S33:   0.0306                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 77 THROUGH 101 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -39.7578 -37.0848 119.5760              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1160 T22:   0.1060                                     
REMARK   3      T33:   0.0879 T12:  -0.0006                                     
REMARK   3      T13:   0.0189 T23:   0.0221                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9550 L22:   0.8391                                     
REMARK   3      L33:   1.5047 L12:   0.5270                                     
REMARK   3      L13:   1.0954 L23:   0.2577                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1291 S12:   0.0804 S13:   0.1266                       
REMARK   3      S21:  -0.0746 S22:   0.0415 S23:   0.1824                       
REMARK   3      S31:   0.0767 S32:  -0.0735 S33:   0.0517                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 102 THROUGH 154 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -38.2048 -41.9362 117.8734              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1173 T22:   0.0645                                     
REMARK   3      T33:   0.1146 T12:   0.0063                                     
REMARK   3      T13:   0.0051 T23:  -0.0026                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0780 L22:   0.3308                                     
REMARK   3      L33:   0.9524 L12:   0.1048                                     
REMARK   3      L13:  -0.0142 L23:   0.3008                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0009 S12:   0.0326 S13:  -0.0363                       
REMARK   3      S21:   0.0105 S22:  -0.0327 S23:  -0.1229                       
REMARK   3      S31:   0.1015 S32:  -0.0479 S33:   0.0273                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 155 THROUGH 181 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -47.6717 -42.9924 122.8989              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1434 T22:   0.1671                                     
REMARK   3      T33:   0.1565 T12:  -0.0460                                     
REMARK   3      T13:   0.0191 T23:   0.0076                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0422 L22:   1.4579                                     
REMARK   3      L33:   2.1115 L12:   1.4022                                     
REMARK   3      L13:   1.6402 L23:   1.0444                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0042 S12:  -0.5027 S13:   0.0202                       
REMARK   3      S21:   0.0713 S22:  -0.2030 S23:   0.1865                       
REMARK   3      S31:   0.1213 S32:  -0.5320 S33:   0.1296                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 2 THROUGH 32 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -20.9535 -27.2585 114.2080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0921 T22:   0.0953                                     
REMARK   3      T33:   0.1056 T12:   0.0177                                     
REMARK   3      T13:  -0.0099 T23:   0.0128                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9737 L22:   0.5663                                     
REMARK   3      L33:   2.3452 L12:   0.1607                                     
REMARK   3      L13:   0.0599 L23:  -0.1730                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0034 S12:   0.0336 S13:  -0.0019                       
REMARK   3      S21:  -0.0051 S22:   0.1266 S23:  -0.0142                       
REMARK   3      S31:  -0.0512 S32:  -0.2503 S33:  -0.1994                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 33 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -12.7610 -23.5691 111.7220              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0766 T22:   0.0828                                     
REMARK   3      T33:   0.0790 T12:   0.0078                                     
REMARK   3      T13:  -0.0008 T23:   0.0092                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2665 L22:   0.7371                                     
REMARK   3      L33:   0.8395 L12:   0.2545                                     
REMARK   3      L13:  -0.0905 L23:  -0.2140                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0688 S12:   0.0939 S13:   0.0101                       
REMARK   3      S21:   0.0268 S22:   0.0228 S23:  -0.0076                       
REMARK   3      S31:  -0.1127 S32:   0.1237 S33:   0.0472                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 90 THROUGH 133 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -51.6550 -33.5556 100.1849              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1213 T22:   0.1347                                     
REMARK   3      T33:   0.0931 T12:  -0.0144                                     
REMARK   3      T13:   0.0071 T23:  -0.0386                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1178 L22:   1.1892                                     
REMARK   3      L33:   1.0283 L12:  -0.7685                                     
REMARK   3      L13:   0.0397 L23:   0.3110                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0680 S12:  -0.1150 S13:  -0.0156                       
REMARK   3      S21:   0.0828 S22:   0.0058 S23:   0.1413                       
REMARK   3      S31:  -0.0031 S32:  -0.0298 S33:   0.0349                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 134 THROUGH 162 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -49.9790 -29.8886 102.5154              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1029 T22:   0.1233                                     
REMARK   3      T33:   0.1137 T12:  -0.0065                                     
REMARK   3      T13:   0.0046 T23:  -0.0193                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8836 L22:   0.8480                                     
REMARK   3      L33:   0.6673 L12:  -0.3793                                     
REMARK   3      L13:  -0.1227 L23:   0.2887                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0762 S12:   0.1408 S13:   0.0386                       
REMARK   3      S21:  -0.1110 S22:  -0.1050 S23:   0.1181                       
REMARK   3      S31:  -0.0657 S32:  -0.1314 S33:  -0.0045                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 163 THROUGH 190 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -57.2397 -31.3381  92.9271              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1473 T22:   0.2531                                     
REMARK   3      T33:   0.1291 T12:  -0.0138                                     
REMARK   3      T13:  -0.0106 T23:  -0.0690                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3338 L22:   0.3668                                     
REMARK   3      L33:   0.5863 L12:  -0.5521                                     
REMARK   3      L13:  -0.5260 L23:   0.3233                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0631 S12:   0.7307 S13:  -0.1565                       
REMARK   3      S21:  -0.1221 S22:  -0.1095 S23:   0.1805                       
REMARK   3      S31:  -0.0275 S32:  -0.3288 S33:   0.0770                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 13 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -51.1724  -6.3076 114.0171              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0786 T22:   0.0924                                     
REMARK   3      T33:   0.1510 T12:   0.0466                                     
REMARK   3      T13:   0.0115 T23:   0.0201                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0497 L22:   2.0754                                     
REMARK   3      L33:   2.0453 L12:   0.5181                                     
REMARK   3      L13:  -0.1655 L23:  -0.7793                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0399 S12:   0.0948 S13:   0.1921                       
REMARK   3      S21:   0.1281 S22:  -0.0540 S23:   0.3626                       
REMARK   3      S31:  -0.1746 S32:  -0.1802 S33:  -0.3828                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 1 THROUGH 13 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -11.0340 -32.3731 113.9223              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1316 T22:   0.1010                                     
REMARK   3      T33:   0.1471 T12:   0.0367                                     
REMARK   3      T13:  -0.0286 T23:  -0.0225                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6058 L22:   1.5213                                     
REMARK   3      L33:   2.4202 L12:   0.7781                                     
REMARK   3      L13:   0.5392 L23:   1.6993                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0059 S12:   0.0463 S13:  -0.1206                       
REMARK   3      S21:   0.1929 S22:  -0.0009 S23:  -0.2377                       
REMARK   3      S31:   0.2619 S32:   0.1569 S33:  -0.0290                       
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 6ATI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-17.                  
REMARK 100 THE DEPOSITION ID IS D_1000229814.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-NOV-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : AUSTRALIAN SYNCHROTRON             
REMARK 200  BEAMLINE                       : MX1                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : .95370                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 63444                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.980                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 33.629                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 3.600                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.1000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.09                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.50                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.300                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: 4MCY                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.57                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.59                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 26% PEG 3350, 0.2M POTASSIUM NITRATE,    
REMARK 280  0.1M BIS-TRIS-PROPANE PH 7.3, VAPOR DIFFUSION, HANGING DROP,        
REMARK 280  TEMPERATURE 294K                                                    
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       38.43500            
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 7960 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 18450 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 7910 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 18530 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     ILE A     1                                                      
REMARK 465     LYS A     2                                                      
REMARK 465     SER A   183                                                      
REMARK 465     GLY A   184                                                      
REMARK 465     ASP A   185                                                      
REMARK 465     ASP A   186                                                      
REMARK 465     ASP A   187                                                      
REMARK 465     ASP A   188                                                      
REMARK 465     LYS A   189                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 465     GLY B     1                                                      
REMARK 465     GLY B   192                                                      
REMARK 465     GLY B   193                                                      
REMARK 465     ASP B   194                                                      
REMARK 465     ASP B   195                                                      
REMARK 465     ASP B   196                                                      
REMARK 465     ASP B   197                                                      
REMARK 465     LYS B   198                                                      
REMARK 465     ILE D     1                                                      
REMARK 465     LYS D     2                                                      
REMARK 465     SER D   183                                                      
REMARK 465     GLY D   184                                                      
REMARK 465     ASP D   185                                                      
REMARK 465     ASP D   186                                                      
REMARK 465     ASP D   187                                                      
REMARK 465     ASP D   188                                                      
REMARK 465     LYS D   189                                                      
REMARK 465     GLY E    -1                                                      
REMARK 465     SER E     0                                                      
REMARK 465     GLY E     1                                                      
REMARK 465     GLY E   192                                                      
REMARK 465     GLY E   193                                                      
REMARK 465     ASP E   194                                                      
REMARK 465     ASP E   195                                                      
REMARK 465     ASP E   196                                                      
REMARK 465     ASP E   197                                                      
REMARK 465     LYS E   198                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU B  52    CG   CD   OE1  OE2                                  
REMARK 470     ARG B  55    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU B 109    CG   CD1  CD2                                       
REMARK 470     GLU D 158    CG   CD   OE1  OE2                                  
REMARK 470     LEU E 109    CG   CD1  CD2                                       
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 A   788     O    HOH E   306              2.19            
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    GLN B  34       -2.27     72.67                                   
REMARK 500    THR B  90      -70.58   -125.13                                   
REMARK 500    HIS B 112      100.05    -59.00                                   
REMARK 500    GLN E  34       -0.04     73.59                                   
REMARK 500    THR E  90      -71.36   -124.33                                   
REMARK 500    HIS E 112       99.92    -58.97                                   
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 B 400        DISTANCE =  6.35 ANGSTROMS                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 6ATF   RELATED DB: PDB                                   
DBREF  6ATI A    1   181  UNP    P01903   DRA_HUMAN       26    206             
DBREF1 6ATI B    1   190  UNP                  A0A0A1I7H6_HUMAN                 
DBREF2 6ATI B     A0A0A1I7H6                         30         219             
DBREF  6ATI D    1   181  UNP    P01903   DRA_HUMAN       26    206             
DBREF1 6ATI E    1   190  UNP                  A0A0A1I7H6_HUMAN                 
DBREF2 6ATI E     A0A0A1I7H6                         30         219             
DBREF  6ATI C    1    13  PDB    6ATI     6ATI             1     13             
DBREF  6ATI F    1    13  PDB    6ATI     6ATI             1     13             
SEQADV 6ATI THR A  182  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI SER A  183  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI GLY A  184  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP A  185  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP A  186  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP A  187  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP A  188  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI LYS A  189  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI GLY B   -1  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI SER B    0  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI THR B  191  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI GLY B  192  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI GLY B  193  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP B  194  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP B  195  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP B  196  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP B  197  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI LYS B  198  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI THR D  182  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI SER D  183  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI GLY D  184  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP D  185  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP D  186  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP D  187  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI ASP D  188  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI LYS D  189  UNP  P01903              EXPRESSION TAG                 
SEQADV 6ATI GLY E   -1  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI SER E    0  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI THR E  191  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI GLY E  192  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI GLY E  193  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP E  194  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP E  195  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP E  196  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI ASP E  197  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQADV 6ATI LYS E  198  UNP  A0A0A1I7H           EXPRESSION TAG                 
SEQRES   1 A  189  ILE LYS GLU GLU HIS VAL ILE ILE GLN ALA GLU PHE TYR          
SEQRES   2 A  189  LEU ASN PRO ASP GLN SER GLY GLU PHE MET PHE ASP PHE          
SEQRES   3 A  189  ASP GLY ASP GLU ILE PHE HIS VAL ASP MET ALA LYS LYS          
SEQRES   4 A  189  GLU THR VAL TRP ARG LEU GLU GLU PHE GLY ARG PHE ALA          
SEQRES   5 A  189  SER PHE GLU ALA GLN GLY ALA LEU ALA ASN ILE ALA VAL          
SEQRES   6 A  189  ASP LYS ALA ASN LEU GLU ILE MET THR LYS ARG SER ASN          
SEQRES   7 A  189  TYR THR PRO ILE THR ASN VAL PRO PRO GLU VAL THR VAL          
SEQRES   8 A  189  LEU THR ASN SER PRO VAL GLU LEU ARG GLU PRO ASN VAL          
SEQRES   9 A  189  LEU ILE CYS PHE ILE ASP LYS PHE THR PRO PRO VAL VAL          
SEQRES  10 A  189  ASN VAL THR TRP LEU ARG ASN GLY LYS PRO VAL THR THR          
SEQRES  11 A  189  GLY VAL SER GLU THR VAL PHE LEU PRO ARG GLU ASP HIS          
SEQRES  12 A  189  LEU PHE ARG LYS PHE HIS TYR LEU PRO PHE LEU PRO SER          
SEQRES  13 A  189  THR GLU ASP VAL TYR ASP CYS ARG VAL GLU HIS TRP GLY          
SEQRES  14 A  189  LEU ASP GLU PRO LEU LEU LYS HIS TRP GLU PHE ASP THR          
SEQRES  15 A  189  SER GLY ASP ASP ASP ASP LYS                                  
SEQRES   1 B  200  GLY SER GLY ASP THR ARG PRO ARG PHE LEU GLU TYR SER          
SEQRES   2 B  200  THR SER GLU CYS HIS PHE PHE ASN GLY THR GLU ARG VAL          
SEQRES   3 B  200  ARG PHE LEU GLU ARG TYR PHE HIS ASN GLN GLU GLU ASN          
SEQRES   4 B  200  VAL ARG PHE ASP SER ASP VAL GLY GLU TYR ARG ALA VAL          
SEQRES   5 B  200  THR GLU LEU GLY ARG PRO ASP ALA GLU TYR TRP ASN SER          
SEQRES   6 B  200  GLN LYS ASP LEU LEU GLU GLN ARG ARG ALA ALA VAL ASP          
SEQRES   7 B  200  THR TYR CYS ARG HIS ASN TYR GLY VAL GLY GLU SER PHE          
SEQRES   8 B  200  THR VAL GLN ARG ARG VAL HIS PRO LYS VAL THR VAL TYR          
SEQRES   9 B  200  PRO SER LYS THR GLN PRO LEU GLN HIS HIS ASN LEU LEU          
SEQRES  10 B  200  VAL CYS SER VAL SER GLY PHE TYR PRO GLY SER ILE GLU          
SEQRES  11 B  200  VAL ARG TRP PHE ARG ASN GLY GLN GLU GLU LYS THR GLY          
SEQRES  12 B  200  VAL VAL SER THR GLY LEU ILE HIS ASN GLY ASP TRP THR          
SEQRES  13 B  200  PHE GLN THR LEU VAL MET LEU GLU THR VAL PRO ARG SER          
SEQRES  14 B  200  GLY GLU VAL TYR THR CYS GLN VAL GLU HIS PRO SER VAL          
SEQRES  15 B  200  THR SER PRO LEU THR VAL GLU TRP ARG ALA THR GLY GLY          
SEQRES  16 B  200  ASP ASP ASP ASP LYS                                          
SEQRES   1 D  189  ILE LYS GLU GLU HIS VAL ILE ILE GLN ALA GLU PHE TYR          
SEQRES   2 D  189  LEU ASN PRO ASP GLN SER GLY GLU PHE MET PHE ASP PHE          
SEQRES   3 D  189  ASP GLY ASP GLU ILE PHE HIS VAL ASP MET ALA LYS LYS          
SEQRES   4 D  189  GLU THR VAL TRP ARG LEU GLU GLU PHE GLY ARG PHE ALA          
SEQRES   5 D  189  SER PHE GLU ALA GLN GLY ALA LEU ALA ASN ILE ALA VAL          
SEQRES   6 D  189  ASP LYS ALA ASN LEU GLU ILE MET THR LYS ARG SER ASN          
SEQRES   7 D  189  TYR THR PRO ILE THR ASN VAL PRO PRO GLU VAL THR VAL          
SEQRES   8 D  189  LEU THR ASN SER PRO VAL GLU LEU ARG GLU PRO ASN VAL          
SEQRES   9 D  189  LEU ILE CYS PHE ILE ASP LYS PHE THR PRO PRO VAL VAL          
SEQRES  10 D  189  ASN VAL THR TRP LEU ARG ASN GLY LYS PRO VAL THR THR          
SEQRES  11 D  189  GLY VAL SER GLU THR VAL PHE LEU PRO ARG GLU ASP HIS          
SEQRES  12 D  189  LEU PHE ARG LYS PHE HIS TYR LEU PRO PHE LEU PRO SER          
SEQRES  13 D  189  THR GLU ASP VAL TYR ASP CYS ARG VAL GLU HIS TRP GLY          
SEQRES  14 D  189  LEU ASP GLU PRO LEU LEU LYS HIS TRP GLU PHE ASP THR          
SEQRES  15 D  189  SER GLY ASP ASP ASP ASP LYS                                  
SEQRES   1 E  200  GLY SER GLY ASP THR ARG PRO ARG PHE LEU GLU TYR SER          
SEQRES   2 E  200  THR SER GLU CYS HIS PHE PHE ASN GLY THR GLU ARG VAL          
SEQRES   3 E  200  ARG PHE LEU GLU ARG TYR PHE HIS ASN GLN GLU GLU ASN          
SEQRES   4 E  200  VAL ARG PHE ASP SER ASP VAL GLY GLU TYR ARG ALA VAL          
SEQRES   5 E  200  THR GLU LEU GLY ARG PRO ASP ALA GLU TYR TRP ASN SER          
SEQRES   6 E  200  GLN LYS ASP LEU LEU GLU GLN ARG ARG ALA ALA VAL ASP          
SEQRES   7 E  200  THR TYR CYS ARG HIS ASN TYR GLY VAL GLY GLU SER PHE          
SEQRES   8 E  200  THR VAL GLN ARG ARG VAL HIS PRO LYS VAL THR VAL TYR          
SEQRES   9 E  200  PRO SER LYS THR GLN PRO LEU GLN HIS HIS ASN LEU LEU          
SEQRES  10 E  200  VAL CYS SER VAL SER GLY PHE TYR PRO GLY SER ILE GLU          
SEQRES  11 E  200  VAL ARG TRP PHE ARG ASN GLY GLN GLU GLU LYS THR GLY          
SEQRES  12 E  200  VAL VAL SER THR GLY LEU ILE HIS ASN GLY ASP TRP THR          
SEQRES  13 E  200  PHE GLN THR LEU VAL MET LEU GLU THR VAL PRO ARG SER          
SEQRES  14 E  200  GLY GLU VAL TYR THR CYS GLN VAL GLU HIS PRO SER VAL          
SEQRES  15 E  200  THR SER PRO LEU THR VAL GLU TRP ARG ALA THR GLY GLY          
SEQRES  16 E  200  ASP ASP ASP ASP LYS                                          
SEQRES   1 C   13  GLY VAL TYR ALA THR CIR SER SER ALA VAL ARG LEU ARG          
SEQRES   1 F   13  GLY VAL TYR ALA THR CIR SER SER ALA VAL ARG LEU ARG          
HET    CIR  C   6      11                                                       
HET    CIR  F   6      11                                                       
HET    NAG  A 500      14                                                       
HET    NAG  A 501      14                                                       
HET    NAG  D 500      14                                                       
HET    NAG  D 501      14                                                       
HETNAM     CIR CITRULLINE                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
FORMUL   5  CIR    2(C6 H13 N3 O3)                                              
FORMUL   7  NAG    4(C8 H15 N O6)                                               
FORMUL  11  HOH   *896(H2 O)                                                    
HELIX    1 AA1 GLU A   47  ALA A   52  1                                   6    
HELIX    2 AA2 GLU A   55  SER A   77  1                                  23    
HELIX    3 AA3 THR B   51  LEU B   53  5                                   3    
HELIX    4 AA4 GLY B   54  SER B   63  1                                  10    
HELIX    5 AA5 GLN B   64  ALA B   73  1                                  10    
HELIX    6 AA6 ALA B   73  TYR B   78  1                                   6    
HELIX    7 AA7 TYR B   78  GLU B   87  1                                  10    
HELIX    8 AA8 SER B   88  THR B   90  5                                   3    
HELIX    9 AA9 GLU D   47  ALA D   52  1                                   6    
HELIX   10 AB1 GLU D   55  SER D   77  1                                  23    
HELIX   11 AB2 THR E   51  LEU E   53  5                                   3    
HELIX   12 AB3 GLY E   54  SER E   63  1                                  10    
HELIX   13 AB4 GLN E   64  ALA E   73  1                                  10    
HELIX   14 AB5 ALA E   73  TYR E   78  1                                   6    
HELIX   15 AB6 TYR E   78  GLU E   87  1                                  10    
HELIX   16 AB7 SER E   88  THR E   90  5                                   3    
SHEET    1 AA1 8 GLU A  40  TRP A  43  0                                        
SHEET    2 AA1 8 ASP A  29  ASP A  35 -1  N  HIS A  33   O  VAL A  42           
SHEET    3 AA1 8 SER A  19  PHE A  26 -1  N  PHE A  26   O  ASP A  29           
SHEET    4 AA1 8 HIS A   5  ASN A  15 -1  N  ILE A   8   O  ASP A  25           
SHEET    5 AA1 8 PHE B   7  PHE B  18 -1  O  CYS B  15   N  ILE A   7           
SHEET    6 AA1 8 ARG B  23  HIS B  32 -1  O  LEU B  27   N  GLU B  14           
SHEET    7 AA1 8 GLU B  35  ASP B  41 -1  O  PHE B  40   N  GLU B  28           
SHEET    8 AA1 8 TYR B  47  ALA B  49 -1  O  ARG B  48   N  ARG B  39           
SHEET    1 AA2 2 SER A  53  PHE A  54  0                                        
SHEET    2 AA2 2 VAL C   2  TYR C   3  1  O  TYR C   3   N  SER A  53           
SHEET    1 AA3 4 GLU A  88  THR A  93  0                                        
SHEET    2 AA3 4 ASN A 103  PHE A 112 -1  O  ILE A 106   N  LEU A  92           
SHEET    3 AA3 4 PHE A 145  PHE A 153 -1  O  LEU A 151   N  LEU A 105           
SHEET    4 AA3 4 SER A 133  GLU A 134 -1  N  SER A 133   O  TYR A 150           
SHEET    1 AA4 4 GLU A  88  THR A  93  0                                        
SHEET    2 AA4 4 ASN A 103  PHE A 112 -1  O  ILE A 106   N  LEU A  92           
SHEET    3 AA4 4 PHE A 145  PHE A 153 -1  O  LEU A 151   N  LEU A 105           
SHEET    4 AA4 4 LEU A 138  PRO A 139 -1  N  LEU A 138   O  ARG A 146           
SHEET    1 AA5 4 LYS A 126  VAL A 128  0                                        
SHEET    2 AA5 4 ASN A 118  ARG A 123 -1  N  ARG A 123   O  LYS A 126           
SHEET    3 AA5 4 TYR A 161  GLU A 166 -1  O  ARG A 164   N  THR A 120           
SHEET    4 AA5 4 LEU A 174  TRP A 178 -1  O  TRP A 178   N  TYR A 161           
SHEET    1 AA6 4 LYS B  98  SER B 104  0                                        
SHEET    2 AA6 4 LEU B 114  PHE B 122 -1  O  LEU B 114   N  SER B 104           
SHEET    3 AA6 4 PHE B 155  GLU B 162 -1  O  THR B 157   N  VAL B 119           
SHEET    4 AA6 4 VAL B 142  SER B 144 -1  N  VAL B 143   O  MET B 160           
SHEET    1 AA7 4 LYS B  98  SER B 104  0                                        
SHEET    2 AA7 4 LEU B 114  PHE B 122 -1  O  LEU B 114   N  SER B 104           
SHEET    3 AA7 4 PHE B 155  GLU B 162 -1  O  THR B 157   N  VAL B 119           
SHEET    4 AA7 4 ILE B 148  HIS B 149 -1  N  ILE B 148   O  GLN B 156           
SHEET    1 AA8 4 GLN B 136  GLU B 138  0                                        
SHEET    2 AA8 4 GLU B 128  ARG B 133 -1  N  TRP B 131   O  GLU B 138           
SHEET    3 AA8 4 VAL B 170  GLU B 176 -1  O  GLN B 174   N  ARG B 130           
SHEET    4 AA8 4 LEU B 184  ARG B 189 -1  O  LEU B 184   N  VAL B 175           
SHEET    1 AA9 8 GLU D  40  TRP D  43  0                                        
SHEET    2 AA9 8 ASP D  29  ASP D  35 -1  N  HIS D  33   O  VAL D  42           
SHEET    3 AA9 8 SER D  19  PHE D  26 -1  N  PHE D  26   O  ASP D  29           
SHEET    4 AA9 8 HIS D   5  ASN D  15 -1  N  ILE D   8   O  ASP D  25           
SHEET    5 AA9 8 PHE E   7  PHE E  18 -1  O  PHE E  17   N  HIS D   5           
SHEET    6 AA9 8 ARG E  23  HIS E  32 -1  O  LEU E  27   N  GLU E  14           
SHEET    7 AA9 8 GLU E  35  ASP E  41 -1  O  PHE E  40   N  GLU E  28           
SHEET    8 AA9 8 TYR E  47  ALA E  49 -1  O  ARG E  48   N  ARG E  39           
SHEET    1 AB1 2 SER D  53  PHE D  54  0                                        
SHEET    2 AB1 2 VAL F   2  TYR F   3  1  O  TYR F   3   N  SER D  53           
SHEET    1 AB2 4 GLU D  88  THR D  93  0                                        
SHEET    2 AB2 4 ASN D 103  PHE D 112 -1  O  ILE D 106   N  LEU D  92           
SHEET    3 AB2 4 PHE D 145  PHE D 153 -1  O  LEU D 151   N  LEU D 105           
SHEET    4 AB2 4 SER D 133  GLU D 134 -1  N  SER D 133   O  TYR D 150           
SHEET    1 AB3 4 GLU D  88  THR D  93  0                                        
SHEET    2 AB3 4 ASN D 103  PHE D 112 -1  O  ILE D 106   N  LEU D  92           
SHEET    3 AB3 4 PHE D 145  PHE D 153 -1  O  LEU D 151   N  LEU D 105           
SHEET    4 AB3 4 LEU D 138  PRO D 139 -1  N  LEU D 138   O  ARG D 146           
SHEET    1 AB4 4 LYS D 126  VAL D 128  0                                        
SHEET    2 AB4 4 ASN D 118  ARG D 123 -1  N  ARG D 123   O  LYS D 126           
SHEET    3 AB4 4 TYR D 161  GLU D 166 -1  O  ARG D 164   N  THR D 120           
SHEET    4 AB4 4 LEU D 174  TRP D 178 -1  O  TRP D 178   N  TYR D 161           
SHEET    1 AB5 4 LYS E  98  SER E 104  0                                        
SHEET    2 AB5 4 LEU E 114  PHE E 122 -1  O  LEU E 114   N  SER E 104           
SHEET    3 AB5 4 PHE E 155  GLU E 162 -1  O  THR E 157   N  VAL E 119           
SHEET    4 AB5 4 VAL E 142  SER E 144 -1  N  VAL E 143   O  MET E 160           
SHEET    1 AB6 4 LYS E  98  SER E 104  0                                        
SHEET    2 AB6 4 LEU E 114  PHE E 122 -1  O  LEU E 114   N  SER E 104           
SHEET    3 AB6 4 PHE E 155  GLU E 162 -1  O  THR E 157   N  VAL E 119           
SHEET    4 AB6 4 ILE E 148  HIS E 149 -1  N  ILE E 148   O  GLN E 156           
SHEET    1 AB7 4 GLN E 136  GLU E 138  0                                        
SHEET    2 AB7 4 GLU E 128  ARG E 133 -1  N  TRP E 131   O  GLU E 138           
SHEET    3 AB7 4 VAL E 170  GLU E 176 -1  O  GLN E 174   N  ARG E 130           
SHEET    4 AB7 4 LEU E 184  ARG E 189 -1  O  LEU E 184   N  VAL E 175           
SSBOND   1 CYS A  107    CYS A  163                          1555   1555  2.03  
SSBOND   2 CYS B   15    CYS B   79                          1555   1555  2.05  
SSBOND   3 CYS B  117    CYS B  173                          1555   1555  2.03  
SSBOND   4 CYS D  107    CYS D  163                          1555   1555  2.04  
SSBOND   5 CYS E   15    CYS E   79                          1555   1555  2.04  
SSBOND   6 CYS E  117    CYS E  173                          1555   1555  2.02  
LINK         ND2 ASN A  78                 C1  NAG A 500     1555   1555  1.45  
LINK         ND2 ASN A 118                 C1  NAG A 501     1555   1555  1.44  
LINK         ND2 ASN D  78                 C1  NAG D 500     1555   1555  1.44  
LINK         ND2 ASN D 118                 C1  NAG D 501     1555   1555  1.44  
LINK         C   THR C   5                 N2  CIR C   6     1555   1555  1.43  
LINK         C1  CIR C   6                 N   SER C   7     1555   1555  1.43  
LINK         C   THR F   5                 N2  CIR F   6     1555   1555  1.43  
LINK         C1  CIR F   6                 N   SER F   7     1555   1555  1.43  
CISPEP   1 ASN A   15    PRO A   16          0         2.20                     
CISPEP   2 THR A  113    PRO A  114          0        -1.15                     
CISPEP   3 TYR B  123    PRO B  124          0         3.51                     
CISPEP   4 ASN D   15    PRO D   16          0         2.40                     
CISPEP   5 THR D  113    PRO D  114          0        -0.50                     
CISPEP   6 TYR E  123    PRO E  124          0         2.99                     
CRYST1   67.270   76.870   94.910  90.00 109.68  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      0.014865  0.000000  0.005317        0.00000                         
SCALE2      0.000000  0.013009  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011190        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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