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Entry: 5NJ8
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HEADER    TRANSCRIPTION                           28-MAR-17   5NJ8              
TITLE     STRUCTURAL BASIS FOR ARYL HYDROCARBON RECEPTOR MEDIATED GENE          
TITLE    2 ACTIVATION                                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARYL HYDROCARBON RECEPTOR;                                 
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 SYNONYM: AHR,CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 76,BHLHE76;      
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: ARYL HYDROCARBON RECEPTOR NUCLEAR TRANSLOCATOR;            
COMPND   8 CHAIN: B, D;                                                         
COMPND   9 SYNONYM: ARNT PROTEIN,CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 2,      
COMPND  10 BHLHE2,DIOXIN RECEPTOR,NUCLEAR TRANSLOCATOR,HYPOXIA-INDUCIBLE FACTOR 
COMPND  11 1-BETA,HIF1-BETA;                                                    
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 MUTATION: YES;                                                       
COMPND  14 OTHER_DETAILS: INTERNAL DELETION OF 274-301;                         
COMPND  15 MOL_ID: 3;                                                           
COMPND  16 MOLECULE: DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*CP*AP*AP*CP*C)-3');        
COMPND  17 CHAIN: E, G;                                                         
COMPND  18 ENGINEERED: YES;                                                     
COMPND  19 OTHER_DETAILS: DIOXIN RESPONSE ELEMENT;                              
COMPND  20 MOL_ID: 4;                                                           
COMPND  21 MOLECULE: DNA (5'-D(*GP*GP*TP*TP*GP*CP*GP*TP*GP*AP*CP*C)-3');        
COMPND  22 CHAIN: F, H;                                                         
COMPND  23 ENGINEERED: YES;                                                     
COMPND  24 OTHER_DETAILS: DIOXIN RESPONSE ELEMENT                               
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: AHR, BHLHE76;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: ROSETTE;                                  
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: ARNT, BHLHE2;                                                  
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  16 MOL_ID: 3;                                                           
SOURCE  17 SYNTHETIC: YES;                                                      
SOURCE  18 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  19 ORGANISM_COMMON: HUMAN;                                              
SOURCE  20 ORGANISM_TAXID: 9606;                                                
SOURCE  21 MOL_ID: 4;                                                           
SOURCE  22 SYNTHETIC: YES;                                                      
SOURCE  23 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  24 ORGANISM_COMMON: HUMAN;                                              
SOURCE  25 ORGANISM_TAXID: 9606                                                 
KEYWDS    BASIC HELIX LOOP HELIX PAS DOMAIN TRANSCRIPTION FACTOR, TRANSCRIPTION 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    O.DAUMKE,K.W.SCHULTE                                                  
REVDAT   2   19-JUL-17 5NJ8    1                                                
REVDAT   1   28-JUN-17 5NJ8    0                                                
JRNL        AUTH   K.W.SCHULTE,E.GREEN,A.WILZ,M.PLATTEN,O.DAUMKE                
JRNL        TITL   STRUCTURAL BASIS FOR ARYL HYDROCARBON RECEPTOR-MEDIATED GENE 
JRNL        TITL 2 ACTIVATION.                                                  
JRNL        REF    STRUCTURE                     V.  25  1025 2017              
JRNL        REFN                   ISSN 1878-4186                               
JRNL        PMID   28602820                                                     
JRNL        DOI    10.1016/J.STR.2017.05.008                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
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) : 3.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.83                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.390                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 18323                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.294                           
REMARK   3   R VALUE            (WORKING SET) : 0.292                           
REMARK   3   FREE R VALUE                     : 0.333                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 917                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 46.8351 -  6.3085    1.00     2751   145  0.2821 0.2952        
REMARK   3     2  6.3085 -  5.0091    1.00     2536   134  0.2990 0.3318        
REMARK   3     3  5.0091 -  4.3764    1.00     2479   130  0.2715 0.3325        
REMARK   3     4  4.3764 -  3.9765    1.00     2452   129  0.2850 0.3353        
REMARK   3     5  3.9765 -  3.6916    1.00     2451   130  0.3184 0.3985        
REMARK   3     6  3.6916 -  3.4740    0.98     2385   125  0.3246 0.3621        
REMARK   3     7  3.4740 -  3.3001    0.98     2352   124  0.3163 0.4147        
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)     : 0.560            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 35.160           
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      :  0.005           6042                                  
REMARK   3   ANGLE     :  0.678           8337                                  
REMARK   3   CHIRALITY :  0.042            981                                  
REMARK   3   PLANARITY :  0.004            908                                  
REMARK   3   DIHEDRAL  : 16.888           3448                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 12                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN 'A' AND RESID 34 THROUGH 88)                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.5124  29.3907 200.4939              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4833 T22:   0.4494                                     
REMARK   3      T33:   0.3373 T12:   0.1718                                     
REMARK   3      T13:  -0.0832 T23:  -0.0147                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2699 L22:   0.9239                                     
REMARK   3      L33:   0.0466 L12:  -0.0621                                     
REMARK   3      L13:  -0.0438 L23:   0.1988                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2327 S12:  -0.0669 S13:   0.1527                       
REMARK   3      S21:  -0.1365 S22:  -0.0351 S23:  -0.3148                       
REMARK   3      S31:  -0.0871 S32:   0.0586 S33:  -0.0623                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN 'B' AND RESID 85 THROUGH 143)                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.9332  21.9640 200.0559              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2829 T22:   0.5549                                     
REMARK   3      T33:   0.8809 T12:   0.2819                                     
REMARK   3      T13:  -0.1693 T23:  -0.0573                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2473 L22:   0.0554                                     
REMARK   3      L33:   0.1466 L12:  -0.1243                                     
REMARK   3      L13:   0.0911 L23:   0.0043                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2861 S12:  -0.0100 S13:  -0.1566                       
REMARK   3      S21:  -0.0785 S22:   0.0042 S23:   0.3563                       
REMARK   3      S31:  -0.1254 S32:   0.1546 S33:   0.0032                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN 'C' AND RESID 32 THROUGH 88)                    
REMARK   3    ORIGIN FOR THE GROUP (A):  14.9371  24.7156 229.6474              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3551 T22:   0.2080                                     
REMARK   3      T33:   0.6653 T12:   0.0903                                     
REMARK   3      T13:  -0.0151 T23:   0.0948                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0031 L22:   0.1833                                     
REMARK   3      L33:   0.8193 L12:   0.0205                                     
REMARK   3      L13:   0.0467 L23:   0.3670                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1827 S12:   0.0220 S13:   0.0576                       
REMARK   3      S21:  -0.0635 S22:  -0.2832 S23:  -0.3442                       
REMARK   3      S31:  -0.1078 S32:  -0.0914 S33:  -0.1862                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN 'D' AND RESID 84 THROUGH 144)                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.6089  15.0120 232.6177              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3010 T22:   0.2692                                     
REMARK   3      T33:   0.3283 T12:   0.0017                                     
REMARK   3      T13:  -0.0436 T23:   0.0916                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0196 L22:   0.2110                                     
REMARK   3      L33:   0.1016 L12:   0.0390                                     
REMARK   3      L13:  -0.0036 L23:  -0.1124                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0882 S12:  -0.0731 S13:   0.1305                       
REMARK   3      S21:  -0.1875 S22:  -0.3340 S23:  -0.2363                       
REMARK   3      S31:   0.1621 S32:   0.0418 S33:  -0.0425                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN 'E' AND RESID 1 THROUGH 12)                     
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.1903   9.9676 197.5579              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4249 T22:   0.7188                                     
REMARK   3      T33:   0.6163 T12:   0.1182                                     
REMARK   3      T13:  -0.2259 T23:  -0.1332                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0005 L22:   0.0027                                     
REMARK   3      L33:  -0.0014 L12:   0.0108                                     
REMARK   3      L13:  -0.0009 L23:   0.0028                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0539 S12:  -0.1525 S13:  -0.2233                       
REMARK   3      S21:  -0.3816 S22:   0.2069 S23:  -0.0485                       
REMARK   3      S31:   0.1315 S32:   0.0885 S33:   0.0001                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN 'F' AND RESID 1 THROUGH 12)                     
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.4227   9.7617 198.6716              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5450 T22:   0.8069                                     
REMARK   3      T33:   0.6398 T12:   0.0689                                     
REMARK   3      T13:  -0.2587 T23:  -0.0837                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0957 L22:   0.1435                                     
REMARK   3      L33:   0.0879 L12:   0.1293                                     
REMARK   3      L13:   0.0163 L23:   0.0053                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1713 S12:   0.4695 S13:  -0.6142                       
REMARK   3      S21:   0.0072 S22:   0.5784 S23:  -0.3336                       
REMARK   3      S31:  -0.0675 S32:  -0.2281 S33:  -0.0007                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN 'G' AND RESID 1 THROUGH 12)                     
REMARK   3    ORIGIN FOR THE GROUP (A):   1.9389  11.0616 237.1803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7124 T22:   0.5325                                     
REMARK   3      T33:   0.3354 T12:  -0.0006                                     
REMARK   3      T13:   0.1393 T23:   0.2054                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1755 L22:   0.4786                                     
REMARK   3      L33:   0.3410 L12:  -0.0410                                     
REMARK   3      L13:   0.2277 L23:   0.1408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5140 S12:   0.1867 S13:   0.2541                       
REMARK   3      S21:   0.2765 S22:   0.0035 S23:  -0.1642                       
REMARK   3      S31:  -0.1716 S32:  -0.2954 S33:   0.7327                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN 'H' AND RESID 1 THROUGH 12)                     
REMARK   3    ORIGIN FOR THE GROUP (A):   1.0052  11.6430 236.3805              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8036 T22:   0.6394                                     
REMARK   3      T33:   0.5958 T12:  -0.0360                                     
REMARK   3      T13:   0.0071 T23:   0.0797                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0293 L22:   0.0661                                     
REMARK   3      L33:   0.0225 L12:   0.0017                                     
REMARK   3      L13:  -0.0273 L23:   0.0018                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0017 S12:   0.2187 S13:   0.1312                       
REMARK   3      S21:   0.4070 S22:  -0.0128 S23:   0.0605                       
REMARK   3      S31:  -0.1287 S32:  -0.3221 S33:  -0.0001                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN 'A' AND RESID 109 THROUGH 272)                  
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.0569  42.1127 218.9071              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4731 T22:  -0.2680                                     
REMARK   3      T33:   0.1554 T12:   0.3860                                     
REMARK   3      T13:  -0.0991 T23:   0.3090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1233 L22:   0.1297                                     
REMARK   3      L33:   0.2779 L12:  -0.1351                                     
REMARK   3      L13:   0.1955 L23:  -0.1765                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3959 S12:  -0.0544 S13:  -0.0169                       
REMARK   3      S21:   0.1019 S22:   0.1504 S23:  -0.0312                       
REMARK   3      S31:  -0.0217 S32:   0.0157 S33:   0.7988                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN 'B' AND RESID 152 THROUGH 345)                  
REMARK   3    ORIGIN FOR THE GROUP (A):   5.0154  60.0065 220.0690              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5575 T22:  -0.0410                                     
REMARK   3      T33:   0.5296 T12:  -0.0014                                     
REMARK   3      T13:   0.1528 T23:   0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1961 L22:   0.0915                                     
REMARK   3      L33:   0.1288 L12:   0.1619                                     
REMARK   3      L13:   0.0515 L23:  -0.0189                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0585 S12:  -0.0224 S13:   0.0896                       
REMARK   3      S21:  -0.1199 S22:   0.0765 S23:   0.2342                       
REMARK   3      S31:  -0.0943 S32:   0.0821 S33:   0.1120                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN 'C' AND RESID 107 THROUGH 271)                  
REMARK   3    ORIGIN FOR THE GROUP (A):  27.5148  19.5600 211.2753              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7918 T22:   0.2526                                     
REMARK   3      T33:   0.3310 T12:   0.3221                                     
REMARK   3      T13:   0.7203 T23:  -0.0830                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0330 L22:   0.1529                                     
REMARK   3      L33:   0.0217 L12:  -0.0677                                     
REMARK   3      L13:  -0.0283 L23:   0.0442                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0365 S12:  -0.0116 S13:   0.1612                       
REMARK   3      S21:   0.0323 S22:  -0.1037 S23:  -0.1770                       
REMARK   3      S31:   0.1963 S32:   0.0377 S33:  -0.3197                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN 'D' AND RESID 148 THROUGH 342)                  
REMARK   3    ORIGIN FOR THE GROUP (A):  34.7449  36.0055 207.7890              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5686 T22:   0.3876                                     
REMARK   3      T33:   0.7282 T12:  -0.0558                                     
REMARK   3      T13:   0.5646 T23:   0.2661                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0687 L22:   0.0322                                     
REMARK   3      L33:   0.0224 L12:   0.0377                                     
REMARK   3      L13:   0.0334 L23:   0.0184                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2249 S12:  -0.2769 S13:  -0.1054                       
REMARK   3      S21:   0.0095 S22:   0.0376 S23:  -0.3818                       
REMARK   3      S31:   0.0816 S32:  -0.3589 S33:   0.2199                       
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 5NJ8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 28-MAR-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200004209.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-AUG-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : BESSY                              
REMARK 200  BEAMLINE                       : 14.1                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.476                              
REMARK 200  MONOCHROMATOR                  : SI111-DCM WITH SAGITAL BENDER      
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 S 6M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32653                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.300                              
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     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY                : 18.00                              
REMARK 200  R MERGE                    (I) : 0.07800                            
REMARK 200  R SYM                      (I) : 0.09800                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.8200                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.49                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 16.50                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.66200                            
REMARK 200  R SYM FOR SHELL            (I) : 0.68300                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.110                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: AUTOSOL                                               
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: PLATES                                                       
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 39.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10 MM HEPES/NAOH PH 6.8, 18% PEG3350,    
REMARK 280  200 MM AMMONIUM FORMATE, PH 6.6, VAPOR DIFFUSION, HANGING DROP,     
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290       7555   Y,X,-Z+2/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+1/3                                          
REMARK 290      10555   -Y,-X,-Z+1/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+5/6                                            
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      309.94267            
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      154.97133            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      232.45700            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       77.48567            
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      387.42833            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      309.94267            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000      154.97133            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       77.48567            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000      232.45700            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000      387.42833            
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10360 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 21180 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -114.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 8760 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 21170 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -109.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, G, H                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 ER   ER3 H 101  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     GLY A    20                                                      
REMARK 465     PRO A    21                                                      
REMARK 465     MET A    22                                                      
REMARK 465     VAL A    23                                                      
REMARK 465     LYS A    24                                                      
REMARK 465     PRO A    25                                                      
REMARK 465     ILE A    26                                                      
REMARK 465     PRO A    27                                                      
REMARK 465     ALA A    28                                                      
REMARK 465     GLU A    29                                                      
REMARK 465     GLY A    30                                                      
REMARK 465     ILE A    31                                                      
REMARK 465     LYS A    32                                                      
REMARK 465     SER A    33                                                      
REMARK 465     SER A    89                                                      
REMARK 465     SER A    90                                                      
REMARK 465     PRO A    91                                                      
REMARK 465     THR A    92                                                      
REMARK 465     GLU A    93                                                      
REMARK 465     ARG A    94                                                      
REMARK 465     ASN A    95                                                      
REMARK 465     GLY A    96                                                      
REMARK 465     GLY A    97                                                      
REMARK 465     GLN A    98                                                      
REMARK 465     ASP A    99                                                      
REMARK 465     ASN A   100                                                      
REMARK 465     CYS A   101                                                      
REMARK 465     ARG A   102                                                      
REMARK 465     ALA A   103                                                      
REMARK 465     ALA A   104                                                      
REMARK 465     ASN A   105                                                      
REMARK 465     PHE A   106                                                      
REMARK 465     ARG A   107                                                      
REMARK 465     GLU A   108                                                      
REMARK 465     ALA A   177                                                      
REMARK 465     LEU A   178                                                      
REMARK 465     ASN A   179                                                      
REMARK 465     PRO A   180                                                      
REMARK 465     SER A   181                                                      
REMARK 465     GLN A   182                                                      
REMARK 465     CYS A   183                                                      
REMARK 465     THR A   184                                                      
REMARK 465     GLU A   185                                                      
REMARK 465     SER A   186                                                      
REMARK 465     GLY A   187                                                      
REMARK 465     GLN A   188                                                      
REMARK 465     GLY A   189                                                      
REMARK 465     ILE A   190                                                      
REMARK 465     GLU A   191                                                      
REMARK 465     GLU A   192                                                      
REMARK 465     ALA A   193                                                      
REMARK 465     THR A   194                                                      
REMARK 465     GLY A   195                                                      
REMARK 465     LEU A   196                                                      
REMARK 465     PRO A   197                                                      
REMARK 465     GLN A   198                                                      
REMARK 465     THR A   199                                                      
REMARK 465     VAL A   200                                                      
REMARK 465     VAL A   201                                                      
REMARK 465     CYS A   202                                                      
REMARK 465     TYR A   203                                                      
REMARK 465     ASN A   204                                                      
REMARK 465     PRO A   205                                                      
REMARK 465     ASP A   206                                                      
REMARK 465     GLN A   207                                                      
REMARK 465     ILE A   208                                                      
REMARK 465     ASN A   230                                                      
REMARK 465     LYS A   251                                                      
REMARK 465     LYS A   252                                                      
REMARK 465     GLY A   253                                                      
REMARK 465     LYS A   254                                                      
REMARK 465     ASP A   255                                                      
REMARK 465     GLY A   256                                                      
REMARK 465     SER A   257                                                      
REMARK 465     ILE A   258                                                      
REMARK 465     LEU A   259                                                      
REMARK 465     PRO A   260                                                      
REMARK 465     GLN A   273                                                      
REMARK 465     GLY B    79                                                      
REMARK 465     PRO B    80                                                      
REMARK 465     GLY B    81                                                      
REMARK 465     SER B    82                                                      
REMARK 465     ASP B    83                                                      
REMARK 465     ALA B    84                                                      
REMARK 465     SER B   120                                                      
REMARK 465     ALA B   121                                                      
REMARK 465     LEU B   122                                                      
REMARK 465     ALA B   123                                                      
REMARK 465     ARG B   124                                                      
REMARK 465     LYS B   125                                                      
REMARK 465     GLY B   144                                                      
REMARK 465     THR B   145                                                      
REMARK 465     GLY B   146                                                      
REMARK 465     ASN B   147                                                      
REMARK 465     THR B   148                                                      
REMARK 465     SER B   149                                                      
REMARK 465     THR B   150                                                      
REMARK 465     ASP B   151                                                      
REMARK 465     GLU B   229                                                      
REMARK 465     ASN B   230                                                      
REMARK 465     ALA B   231                                                      
REMARK 465     LEU B   232                                                      
REMARK 465     THR B   233                                                      
REMARK 465     GLY B   234                                                      
REMARK 465     ARG B   235                                                      
REMARK 465     ILE B   236                                                      
REMARK 465     LEU B   237                                                      
REMARK 465     ASP B   238                                                      
REMARK 465     LEU B   239                                                      
REMARK 465     LYS B   240                                                      
REMARK 465     THR B   241                                                      
REMARK 465     GLY B   242                                                      
REMARK 465     THR B   243                                                      
REMARK 465     VAL B   244                                                      
REMARK 465     LYS B   245                                                      
REMARK 465     LYS B   246                                                      
REMARK 465     GLU B   247                                                      
REMARK 465     GLY B   248                                                      
REMARK 465     GLN B   249                                                      
REMARK 465     GLN B   250                                                      
REMARK 465     SER B   251                                                      
REMARK 465     SER B   252                                                      
REMARK 465     MET B   253                                                      
REMARK 465     ARG B   254                                                      
REMARK 465     MET B   255                                                      
REMARK 465     CYS B   256                                                      
REMARK 465     MET B   257                                                      
REMARK 465     GLY B   258                                                      
REMARK 465     GLY B   270                                                      
REMARK 465     SER B   271                                                      
REMARK 465     SER B   272                                                      
REMARK 465     SER B   273                                                      
REMARK 465     VAL B   274                                                      
REMARK 465     ASP B   275                                                      
REMARK 465     PRO B   276                                                      
REMARK 465     VAL B   277                                                      
REMARK 465     SER B   278                                                      
REMARK 465     VAL B   279                                                      
REMARK 465     ASN B   280                                                      
REMARK 465     ARG B   281                                                      
REMARK 465     LEU B   282                                                      
REMARK 465     SER B   283                                                      
REMARK 465     PHE B   284                                                      
REMARK 465     VAL B   285                                                      
REMARK 465     ARG B   286                                                      
REMARK 465     ASN B   287                                                      
REMARK 465     ARG B   288                                                      
REMARK 465     CYS B   289                                                      
REMARK 465     ARG B   290                                                      
REMARK 465     ASN B   291                                                      
REMARK 465     GLY B   292                                                      
REMARK 465     LEU B   293                                                      
REMARK 465     GLY B   294                                                      
REMARK 465     SER B   295                                                      
REMARK 465     VAL B   296                                                      
REMARK 465     LYS B   297                                                      
REMARK 465     ASP B   298                                                      
REMARK 465     GLY B   299                                                      
REMARK 465     GLU B   300                                                      
REMARK 465     PRO B   301                                                      
REMARK 465     PRO B   317                                                      
REMARK 465     ALA B   318                                                      
REMARK 465     GLY B   319                                                      
REMARK 465     VAL B   320                                                      
REMARK 465     SER B   321                                                      
REMARK 465     LEU B   322                                                      
REMARK 465     PRO B   323                                                      
REMARK 465     GLY B   330                                                      
REMARK 465     GLN B   331                                                      
REMARK 465     GLY B   332                                                      
REMARK 465     SER B   333                                                      
REMARK 465     GLY C    20                                                      
REMARK 465     PRO C    21                                                      
REMARK 465     MET C    22                                                      
REMARK 465     VAL C    23                                                      
REMARK 465     LYS C    24                                                      
REMARK 465     PRO C    25                                                      
REMARK 465     ILE C    26                                                      
REMARK 465     PRO C    27                                                      
REMARK 465     ALA C    28                                                      
REMARK 465     GLU C    29                                                      
REMARK 465     GLY C    30                                                      
REMARK 465     ILE C    31                                                      
REMARK 465     SER C    89                                                      
REMARK 465     SER C    90                                                      
REMARK 465     PRO C    91                                                      
REMARK 465     THR C    92                                                      
REMARK 465     GLU C    93                                                      
REMARK 465     ARG C    94                                                      
REMARK 465     ASN C    95                                                      
REMARK 465     GLY C    96                                                      
REMARK 465     GLY C    97                                                      
REMARK 465     GLN C    98                                                      
REMARK 465     ASP C    99                                                      
REMARK 465     ASN C   100                                                      
REMARK 465     CYS C   101                                                      
REMARK 465     ARG C   102                                                      
REMARK 465     ALA C   103                                                      
REMARK 465     ALA C   104                                                      
REMARK 465     ASN C   105                                                      
REMARK 465     PHE C   106                                                      
REMARK 465     LEU C   174                                                      
REMARK 465     HIS C   175                                                      
REMARK 465     TRP C   176                                                      
REMARK 465     ALA C   177                                                      
REMARK 465     LEU C   178                                                      
REMARK 465     ASN C   179                                                      
REMARK 465     PRO C   180                                                      
REMARK 465     SER C   181                                                      
REMARK 465     GLN C   182                                                      
REMARK 465     CYS C   183                                                      
REMARK 465     THR C   184                                                      
REMARK 465     GLU C   185                                                      
REMARK 465     SER C   186                                                      
REMARK 465     GLY C   187                                                      
REMARK 465     GLN C   188                                                      
REMARK 465     GLY C   189                                                      
REMARK 465     ILE C   190                                                      
REMARK 465     GLU C   191                                                      
REMARK 465     GLU C   192                                                      
REMARK 465     ALA C   193                                                      
REMARK 465     THR C   194                                                      
REMARK 465     GLY C   195                                                      
REMARK 465     LEU C   196                                                      
REMARK 465     PRO C   197                                                      
REMARK 465     GLN C   198                                                      
REMARK 465     THR C   199                                                      
REMARK 465     VAL C   200                                                      
REMARK 465     VAL C   201                                                      
REMARK 465     CYS C   202                                                      
REMARK 465     TYR C   203                                                      
REMARK 465     ASN C   204                                                      
REMARK 465     PRO C   205                                                      
REMARK 465     ASP C   206                                                      
REMARK 465     GLN C   207                                                      
REMARK 465     ILE C   208                                                      
REMARK 465     PRO C   209                                                      
REMARK 465     PRO C   210                                                      
REMARK 465     LEU C   228                                                      
REMARK 465     ASP C   229                                                      
REMARK 465     ASN C   230                                                      
REMARK 465     SER C   231                                                      
REMARK 465     SER C   232                                                      
REMARK 465     GLY C   233                                                      
REMARK 465     LYS C   252                                                      
REMARK 465     GLY C   253                                                      
REMARK 465     LYS C   254                                                      
REMARK 465     LEU C   272                                                      
REMARK 465     GLN C   273                                                      
REMARK 465     GLY D    79                                                      
REMARK 465     PRO D    80                                                      
REMARK 465     GLY D    81                                                      
REMARK 465     SER D    82                                                      
REMARK 465     ASP D    83                                                      
REMARK 465     THR D   145                                                      
REMARK 465     GLY D   146                                                      
REMARK 465     ASN D   147                                                      
REMARK 465     GLY D   174                                                      
REMARK 465     ILE D   178                                                      
REMARK 465     VAL D   179                                                      
REMARK 465     SER D   180                                                      
REMARK 465     CYS D   181                                                      
REMARK 465     GLU D   182                                                      
REMARK 465     THR D   183                                                      
REMARK 465     GLY D   184                                                      
REMARK 465     ARG D   185                                                      
REMARK 465     VAL D   186                                                      
REMARK 465     VAL D   187                                                      
REMARK 465     LEU D   197                                                      
REMARK 465     ASN D   198                                                      
REMARK 465     TRP D   204                                                      
REMARK 465     PHE D   205                                                      
REMARK 465     GLY D   206                                                      
REMARK 465     GLN D   212                                                      
REMARK 465     VAL D   213                                                      
REMARK 465     HIS D   214                                                      
REMARK 465     PRO D   215                                                      
REMARK 465     ASP D   216                                                      
REMARK 465     ASP D   217                                                      
REMARK 465     VAL D   218                                                      
REMARK 465     ASP D   219                                                      
REMARK 465     LYS D   220                                                      
REMARK 465     LEU D   221                                                      
REMARK 465     ARG D   222                                                      
REMARK 465     GLU D   223                                                      
REMARK 465     GLN D   224                                                      
REMARK 465     LEU D   225                                                      
REMARK 465     SER D   226                                                      
REMARK 465     THR D   227                                                      
REMARK 465     SER D   228                                                      
REMARK 465     GLU D   229                                                      
REMARK 465     ASN D   230                                                      
REMARK 465     ALA D   231                                                      
REMARK 465     LEU D   232                                                      
REMARK 465     THR D   233                                                      
REMARK 465     GLY D   234                                                      
REMARK 465     ARG D   235                                                      
REMARK 465     ILE D   236                                                      
REMARK 465     LEU D   237                                                      
REMARK 465     ASP D   238                                                      
REMARK 465     LEU D   239                                                      
REMARK 465     LYS D   240                                                      
REMARK 465     THR D   241                                                      
REMARK 465     GLY D   242                                                      
REMARK 465     THR D   243                                                      
REMARK 465     VAL D   244                                                      
REMARK 465     LYS D   245                                                      
REMARK 465     LYS D   246                                                      
REMARK 465     GLU D   247                                                      
REMARK 465     GLY D   248                                                      
REMARK 465     GLN D   249                                                      
REMARK 465     GLN D   250                                                      
REMARK 465     SER D   251                                                      
REMARK 465     SER D   252                                                      
REMARK 465     MET D   253                                                      
REMARK 465     ARG D   254                                                      
REMARK 465     MET D   255                                                      
REMARK 465     CYS D   256                                                      
REMARK 465     MET D   257                                                      
REMARK 465     GLY D   258                                                      
REMARK 465     GLY D   270                                                      
REMARK 465     SER D   271                                                      
REMARK 465     SER D   272                                                      
REMARK 465     SER D   273                                                      
REMARK 465     VAL D   274                                                      
REMARK 465     ASP D   275                                                      
REMARK 465     PRO D   276                                                      
REMARK 465     VAL D   277                                                      
REMARK 465     SER D   278                                                      
REMARK 465     VAL D   279                                                      
REMARK 465     ASN D   280                                                      
REMARK 465     ARG D   281                                                      
REMARK 465     LEU D   282                                                      
REMARK 465     SER D   283                                                      
REMARK 465     PHE D   284                                                      
REMARK 465     VAL D   285                                                      
REMARK 465     ARG D   286                                                      
REMARK 465     ASN D   287                                                      
REMARK 465     ARG D   288                                                      
REMARK 465     CYS D   289                                                      
REMARK 465     ARG D   290                                                      
REMARK 465     ASN D   291                                                      
REMARK 465     GLY D   292                                                      
REMARK 465     LEU D   293                                                      
REMARK 465     GLY D   294                                                      
REMARK 465     SER D   295                                                      
REMARK 465     VAL D   296                                                      
REMARK 465     LYS D   297                                                      
REMARK 465     ASP D   298                                                      
REMARK 465     GLY D   299                                                      
REMARK 465     GLU D   300                                                      
REMARK 465     PRO D   301                                                      
REMARK 465     HIS D   302                                                      
REMARK 465     PHE D   303                                                      
REMARK 465     VAL D   304                                                      
REMARK 465     VAL D   305                                                      
REMARK 465     VAL D   306                                                      
REMARK 465     TRP D   315                                                      
REMARK 465     PRO D   316                                                      
REMARK 465     PRO D   317                                                      
REMARK 465     ALA D   318                                                      
REMARK 465     GLY D   319                                                      
REMARK 465     VAL D   320                                                      
REMARK 465     SER D   321                                                      
REMARK 465     LEU D   322                                                      
REMARK 465     PRO D   323                                                      
REMARK 465     ASP D   324                                                      
REMARK 465     ASP D   325                                                      
REMARK 465     ASP D   326                                                      
REMARK 465     PRO D   327                                                      
REMARK 465     GLU D   328                                                      
REMARK 465     ALA D   329                                                      
REMARK 465     GLY D   330                                                      
REMARK 465     GLN D   331                                                      
REMARK 465     GLY D   332                                                      
REMARK 465     SER D   333                                                      
REMARK 465     LYS D   334                                                      
REMARK 465     PHE D   335                                                      
REMARK 465     CYS D   336                                                      
REMARK 465     LEU D   343                                                      
REMARK 465     GLN D   344                                                      
REMARK 465     VAL D   345                                                      
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     ARG A  71    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  88    CG   CD   CE   NZ                                   
REMARK 470     ASP A 132    CG   OD1  OD2                                       
REMARK 470     GLU A 211    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 229    CG   OD1  OD2                                       
REMARK 470     GLN A 249    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 250    CG   CD   CE   NZ                                   
REMARK 470     ARG B 143    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     TYR B 154    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     LYS B 155    CG   CD   CE   NZ                                   
REMARK 470     PHE B 205    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ASP B 324    CG   OD1  OD2                                       
REMARK 470     ASP B 325    CG   OD1  OD2                                       
REMARK 470     GLU B 328    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 334    CG   CD   CE   NZ                                   
REMARK 470     LYS C  32    CG   CD   CE   NZ                                   
REMARK 470     LYS C  80    CG   CD   CE   NZ                                   
REMARK 470     LYS C  88    CG   CD   CE   NZ                                   
REMARK 470     ARG C 107    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C 108    CG   CD   OE1  OE2                                  
REMARK 470     GLN C 113    CG   CD   OE1  NE2                                  
REMARK 470     LEU C 122    CG   CD1  CD2                                       
REMARK 470     ASN C 123    CG   OD1  ND2                                       
REMARK 470     SER C 157    OG                                                  
REMARK 470     ILE C 162    CG1  CG2  CD1                                       
REMARK 470     THR C 164    OG1  CG2                                            
REMARK 470     GLU C 165    CG   CD   OE1  OE2                                  
REMARK 470     ASP C 166    CG   OD1  OD2                                       
REMARK 470     ARG C 167    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE C 170    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLN C 171    CG   CD   OE1  NE2                                  
REMARK 470     ARG C 172    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C 211    CG   CD   OE1  OE2                                  
REMARK 470     SER C 213    OG                                                  
REMARK 470     LEU C 215    CG   CD1  CD2                                       
REMARK 470     MET C 216    CG   SD   CE                                        
REMARK 470     ARG C 218    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE C 220    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ILE C 221    CG1  CG2  CD1                                       
REMARK 470     CYS C 222    SG                                                  
REMARK 470     ARG C 223    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU C 224    CG   CD1  CD2                                       
REMARK 470     PHE C 234    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     LEU C 235    CG   CD1  CD2                                       
REMARK 470     MET C 237    CG   SD   CE                                        
REMARK 470     ASN C 238    CG   OD1  ND2                                       
REMARK 470     PHE C 239    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLN C 240    CG   CD   OE1  NE2                                  
REMARK 470     LYS C 242    CG   CD   CE   NZ                                   
REMARK 470     LEU C 243    CG   CD1  CD2                                       
REMARK 470     LYS C 244    CG   CD   CE   NZ                                   
REMARK 470     TYR C 245    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     HIS C 247    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLN C 249    CG   CD   OE1  NE2                                  
REMARK 470     LYS C 250    CG   CD   CE   NZ                                   
REMARK 470     LYS C 251    CG   CD   CE   NZ                                   
REMARK 470     ASP C 255    CG   OD1  OD2                                       
REMARK 470     SER C 257    OG                                                  
REMARK 470     ILE C 258    CG1  CG2  CD1                                       
REMARK 470     LEU C 259    CG   CD1  CD2                                       
REMARK 470     LEU C 263    CG   CD1  CD2                                       
REMARK 470     ILE C 268    CG1  CG2  CD1                                       
REMARK 470     THR C 270    OG1  CG2                                            
REMARK 470     ASP D  85    CG   OD1  OD2                                       
REMARK 470     LYS D  86    CG   CD   CE   NZ                                   
REMARK 470     LEU D  89    CG   CD1  CD2                                       
REMARK 470     ARG D 100    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D 124    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D 125    CG   CD   CE   NZ                                   
REMARK 470     LYS D 140    CG   CD   CE   NZ                                   
REMARK 470     THR D 148    OG1  CG2                                            
REMARK 470     SER D 149    OG                                                  
REMARK 470     THR D 150    OG1  CG2                                            
REMARK 470     ASP D 151    CG   OD1  OD2                                       
REMARK 470     TYR D 154    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     LYS D 155    CG   CD   CE   NZ                                   
REMARK 470     THR D 160    OG1  CG2                                            
REMARK 470     GLN D 162    CG   CD   OE1  NE2                                  
REMARK 470     GLU D 163    CG   CD   OE1  OE2                                  
REMARK 470     LEU D 164    CG   CD1  CD2                                       
REMARK 470     LYS D 165    CG   CD   CE   NZ                                   
REMARK 470     LEU D 167    CG   CD1  CD2                                       
REMARK 470     ILE D 168    CG1  CG2  CD1                                       
REMARK 470     LEU D 169    CG   CD1  CD2                                       
REMARK 470     PHE D 175    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     PHE D 177    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     TYR D 188    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     VAL D 189    CG1  CG2                                            
REMARK 470     SER D 190    OG                                                  
REMARK 470     ASP D 191    CG   OD1  OD2                                       
REMARK 470     SER D 192    OG                                                  
REMARK 470     VAL D 193    CG1  CG2                                            
REMARK 470     THR D 194    OG1  CG2                                            
REMARK 470     PRO D 195    CG   CD                                             
REMARK 470     VAL D 196    CG1  CG2                                            
REMARK 470     GLN D 199    CG   CD   OE1  NE2                                  
REMARK 470     GLN D 201    CG   CD   OE1  NE2                                  
REMARK 470     SER D 202    OG                                                  
REMARK 470     GLU D 203    CG   CD   OE1  OE2                                  
REMARK 470     SER D 207    OG                                                  
REMARK 470     THR D 208    OG1  CG2                                            
REMARK 470     LEU D 209    CG   CD1  CD2                                       
REMARK 470     TYR D 210    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     ASP D 211    CG   OD1  OD2                                       
REMARK 470     ARG D 260    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D 261    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     SER D 262    OG                                                  
REMARK 470     PHE D 263    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ILE D 264    CG1  CG2  CD1                                       
REMARK 470     ARG D 266    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     MET D 267    CG   SD   CE                                        
REMARK 470     ARG D 268    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     CYS D 269    SG                                                  
REMARK 470     HIS D 307    CG   ND1  CD2  CE1  NE2                             
REMARK 470     CYS D 308    SG                                                  
REMARK 470     THR D 309    OG1  CG2                                            
REMARK 470     TYR D 311    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     ILE D 312    CG1  CG2  CD1                                       
REMARK 470     LYS D 313    CG   CD   CE   NZ                                   
REMARK 470     LEU D 337    CG   CD1  CD2                                       
REMARK 470     VAL D 338    CG1  CG2                                            
REMARK 470     ILE D 340    CG1  CG2  CD1                                       
REMARK 470     ARG D 342    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470      DG E   1    O5'                                                 
REMARK 470      DG F   1    O5'                                                 
REMARK 470      DG G   1    O5'                                                 
REMARK 470      DG H   1    O5'                                                 
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   HZ1  LYS B   128     OP2   DG F     5              1.40            
REMARK 500   O    LEU D   169     H    ASP D   173              1.47            
REMARK 500   OE2  GLU A   114     HH   TYR B   188              1.49            
REMARK 500   O    TYR A   159    HH21  ARG A   167              1.56            
REMARK 500   O2    DC E    11     H22   DG F     2              1.56            
REMARK 500   O    THR D   160     H    LEU D   164              1.59            
REMARK 500  HH21  ARG C    40     OP2   DC G     6              1.59            
REMARK 500   O    TYR B   108     H    LEU B   112              1.60            
REMARK 500   OD2  ASP D   173    ER    ER3 D   401              1.83            
REMARK 500   O    LEU A   112     OD2  ASP B   161              1.90            
REMARK 500   OG   SER C   139     OG1  THR C   141              1.99            
REMARK 500   O    LEU D   169     N    ASP D   173              2.05            
REMARK 500   OD1  ASP C    65     OG   SER C    68              2.06            
REMARK 500   OD1  ASN A    62     NE2  GLN C   143              2.11            
REMARK 500   O    GLU B    92     OG   SER B    95              2.12            
REMARK 500   O    LEU A   228     OG   SER A   231              2.12            
REMARK 500   NZ   LYS B   128     OP2   DG F     5              2.15            
REMARK 500   OE2  GLU A   114     OH   TYR B   188              2.16            
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  HH12  ARG D    88     OP1   DA G     9     8556     1.53            
REMARK 500   NH1  ARG D    88     OP1   DA G     9     8556     2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500     DT F   3   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DT F   4   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DC G  11   O4' -  C1' -  N1  ANGL. DEV. =   1.9 DEGREES          
REMARK 500     DC H  11   O4' -  C1' -  N1  ANGL. DEV. =   2.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    PRO A  55       47.05    -92.25                                   
REMARK 500    ASN A 123        5.21    -69.06                                   
REMARK 500    VAL A 135       99.73    -61.87                                   
REMARK 500    ASN A 212       57.35   -114.01                                   
REMARK 500    LEU A 215      178.45    -57.61                                   
REMARK 500    MET A 216       45.93     39.69                                   
REMARK 500    PHE A 234       70.22     43.10                                   
REMARK 500    ALA A 264      149.51   -173.38                                   
REMARK 500    GLU B 182      -77.40   -126.41                                   
REMARK 500    ASN B 198     -166.81   -110.26                                   
REMARK 500    SER B 202      -73.84   -131.06                                   
REMARK 500    PRO B 327      -63.56   -106.82                                   
REMARK 500    PRO C  55       41.10   -104.11                                   
REMARK 500    LYS C  63       17.84   -145.69                                   
REMARK 500    PHE C 125     -159.18   -113.34                                   
REMARK 500    LEU C 146     -155.54   -103.24                                   
REMARK 500    PRO C 214        2.00    -68.36                                   
REMARK 500    ALA C 264      148.82   -170.96                                   
REMARK 500    GLU D  92       -6.22    -55.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 ILE C  268     ALA C  269                 -141.83                    
REMARK 500 ALA C  269     THR C  270                 -136.19                    
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                             ER3 E 101  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A  65   OD2                                                    
REMARK 620 2  DT E   3   OP1  64.4                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 B 401  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 LEU A 112   O                                                      
REMARK 620 2 GLU A 116   OE1  64.4                                              
REMARK 620 3 ASP B 161   OD1  83.0 124.8                                        
REMARK 620 4 ASP B 161   OD2  41.8  78.6  49.4                                  
REMARK 620 5 ACT B 405   OXT 149.1  97.5 127.0 164.3                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 A 301  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A 165   OE1                                                    
REMARK 620 2 GLU A 165   OE2  48.2                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 B 404  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU B  87   OE1                                                    
REMARK 620 2 GLU B  87   OE2  47.8                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 B 403  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP B 173   OD1                                                    
REMARK 620 2 ASP B 173   OD2  49.3                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 C 302  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP B 326   OD1                                                    
REMARK 620 2 LEU C 112   O    77.3                                              
REMARK 620 3 GLU C 116   OE1 178.1 103.0                                        
REMARK 620 4 GLU C 116   OE2 132.5 131.4  48.7                                  
REMARK 620 5 ASP D 161   OD1  83.0  93.5  95.1 123.2                            
REMARK 620 6 ASP D 161   OD2  48.6  57.3 129.9 170.5  48.1                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 G 101  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C  65   OD2                                                    
REMARK 620 2  DT G   3   OP1  64.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 C 301  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU C 165   O                                                      
REMARK 620 2 GLU C 169   OE1 127.0                                              
REMARK 620 3 GLU C 169   OE2  86.3  47.7                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             ER3 H 101  ER                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT H   8   OP1                                                    
REMARK 620 2  DT H   8   OP2  48.8                                              
REMARK 620 3  DT H   8   OP1   0.0  48.8                                        
REMARK 620 4  DT H   8   OP2  48.8   0.0  48.8                                  
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 ER3 A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 B 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 B 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 B 403                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 B 404                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ACT B 405                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 C 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 C 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 D 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 D 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 E 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 G 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ER3 H 101                 
DBREF  5NJ8 A   23   273  UNP    P35869   AHR_HUMAN       23    273             
DBREF  5NJ8 B   84   345  UNP    P27540   ARNT_HUMAN      84    345             
DBREF  5NJ8 C   23   273  UNP    P35869   AHR_HUMAN       23    273             
DBREF  5NJ8 D   84   345  UNP    P27540   ARNT_HUMAN      84    345             
DBREF  5NJ8 E    1    12  PDB    5NJ8     5NJ8             1     12             
DBREF  5NJ8 F    1    12  PDB    5NJ8     5NJ8             1     12             
DBREF  5NJ8 G    1    12  PDB    5NJ8     5NJ8             1     12             
DBREF  5NJ8 H    1    12  PDB    5NJ8     5NJ8             1     12             
SEQADV 5NJ8 GLY A   20  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 PRO A   21  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 MET A   22  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 GLY B   79  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 PRO B   80  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 GLY B   81  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 SER B   82  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 ASP B   83  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 GLY C   20  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 PRO C   21  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 MET C   22  UNP  P35869              EXPRESSION TAG                 
SEQADV 5NJ8 GLY D   79  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 PRO D   80  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 GLY D   81  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 SER D   82  UNP  P27540              EXPRESSION TAG                 
SEQADV 5NJ8 ASP D   83  UNP  P27540              EXPRESSION TAG                 
SEQRES   1 A  254  GLY PRO MET VAL LYS PRO ILE PRO ALA GLU GLY ILE LYS          
SEQRES   2 A  254  SER ASN PRO SER LYS ARG HIS ARG ASP ARG LEU ASN THR          
SEQRES   3 A  254  GLU LEU ASP ARG LEU ALA SER LEU LEU PRO PHE PRO GLN          
SEQRES   4 A  254  ASP VAL ILE ASN LYS LEU ASP LYS LEU SER VAL LEU ARG          
SEQRES   5 A  254  LEU SER VAL SER TYR LEU ARG ALA LYS SER PHE PHE ASP          
SEQRES   6 A  254  VAL ALA LEU LYS SER SER PRO THR GLU ARG ASN GLY GLY          
SEQRES   7 A  254  GLN ASP ASN CYS ARG ALA ALA ASN PHE ARG GLU GLY LEU          
SEQRES   8 A  254  ASN LEU GLN GLU GLY GLU PHE LEU LEU GLN ALA LEU ASN          
SEQRES   9 A  254  GLY PHE VAL LEU VAL VAL THR THR ASP ALA LEU VAL PHE          
SEQRES  10 A  254  TYR ALA SER SER THR ILE GLN ASP TYR LEU GLY PHE GLN          
SEQRES  11 A  254  GLN SER ASP VAL ILE HIS GLN SER VAL TYR GLU LEU ILE          
SEQRES  12 A  254  HIS THR GLU ASP ARG ALA GLU PHE GLN ARG GLN LEU HIS          
SEQRES  13 A  254  TRP ALA LEU ASN PRO SER GLN CYS THR GLU SER GLY GLN          
SEQRES  14 A  254  GLY ILE GLU GLU ALA THR GLY LEU PRO GLN THR VAL VAL          
SEQRES  15 A  254  CYS TYR ASN PRO ASP GLN ILE PRO PRO GLU ASN SER PRO          
SEQRES  16 A  254  LEU MET GLU ARG CYS PHE ILE CYS ARG LEU ARG CYS LEU          
SEQRES  17 A  254  LEU ASP ASN SER SER GLY PHE LEU ALA MET ASN PHE GLN          
SEQRES  18 A  254  GLY LYS LEU LYS TYR LEU HIS GLY GLN LYS LYS LYS GLY          
SEQRES  19 A  254  LYS ASP GLY SER ILE LEU PRO PRO GLN LEU ALA LEU PHE          
SEQRES  20 A  254  ALA ILE ALA THR PRO LEU GLN                                  
SEQRES   1 B  267  GLY PRO GLY SER ASP ALA ASP LYS GLU ARG LEU ALA ARG          
SEQRES   2 B  267  GLU ASN HIS SER GLU ILE GLU ARG ARG ARG ARG ASN LYS          
SEQRES   3 B  267  MET THR ALA TYR ILE THR GLU LEU SER ASP MET VAL PRO          
SEQRES   4 B  267  THR CYS SER ALA LEU ALA ARG LYS PRO ASP LYS LEU THR          
SEQRES   5 B  267  ILE LEU ARG MET ALA VAL SER HIS MET LYS SER LEU ARG          
SEQRES   6 B  267  GLY THR GLY ASN THR SER THR ASP GLY SER TYR LYS PRO          
SEQRES   7 B  267  SER PHE LEU THR ASP GLN GLU LEU LYS HIS LEU ILE LEU          
SEQRES   8 B  267  GLU ALA ALA ASP GLY PHE LEU PHE ILE VAL SER CYS GLU          
SEQRES   9 B  267  THR GLY ARG VAL VAL TYR VAL SER ASP SER VAL THR PRO          
SEQRES  10 B  267  VAL LEU ASN GLN PRO GLN SER GLU TRP PHE GLY SER THR          
SEQRES  11 B  267  LEU TYR ASP GLN VAL HIS PRO ASP ASP VAL ASP LYS LEU          
SEQRES  12 B  267  ARG GLU GLN LEU SER THR SER GLU ASN ALA LEU THR GLY          
SEQRES  13 B  267  ARG ILE LEU ASP LEU LYS THR GLY THR VAL LYS LYS GLU          
SEQRES  14 B  267  GLY GLN GLN SER SER MET ARG MET CYS MET GLY SER ARG          
SEQRES  15 B  267  ARG SER PHE ILE CYS ARG MET ARG CYS GLY SER SER SER          
SEQRES  16 B  267  VAL ASP PRO VAL SER VAL ASN ARG LEU SER PHE VAL ARG          
SEQRES  17 B  267  ASN ARG CYS ARG ASN GLY LEU GLY SER VAL LYS ASP GLY          
SEQRES  18 B  267  GLU PRO HIS PHE VAL VAL VAL HIS CYS THR GLY TYR ILE          
SEQRES  19 B  267  LYS ALA TRP PRO PRO ALA GLY VAL SER LEU PRO ASP ASP          
SEQRES  20 B  267  ASP PRO GLU ALA GLY GLN GLY SER LYS PHE CYS LEU VAL          
SEQRES  21 B  267  ALA ILE GLY ARG LEU GLN VAL                                  
SEQRES   1 C  254  GLY PRO MET VAL LYS PRO ILE PRO ALA GLU GLY ILE LYS          
SEQRES   2 C  254  SER ASN PRO SER LYS ARG HIS ARG ASP ARG LEU ASN THR          
SEQRES   3 C  254  GLU LEU ASP ARG LEU ALA SER LEU LEU PRO PHE PRO GLN          
SEQRES   4 C  254  ASP VAL ILE ASN LYS LEU ASP LYS LEU SER VAL LEU ARG          
SEQRES   5 C  254  LEU SER VAL SER TYR LEU ARG ALA LYS SER PHE PHE ASP          
SEQRES   6 C  254  VAL ALA LEU LYS SER SER PRO THR GLU ARG ASN GLY GLY          
SEQRES   7 C  254  GLN ASP ASN CYS ARG ALA ALA ASN PHE ARG GLU GLY LEU          
SEQRES   8 C  254  ASN LEU GLN GLU GLY GLU PHE LEU LEU GLN ALA LEU ASN          
SEQRES   9 C  254  GLY PHE VAL LEU VAL VAL THR THR ASP ALA LEU VAL PHE          
SEQRES  10 C  254  TYR ALA SER SER THR ILE GLN ASP TYR LEU GLY PHE GLN          
SEQRES  11 C  254  GLN SER ASP VAL ILE HIS GLN SER VAL TYR GLU LEU ILE          
SEQRES  12 C  254  HIS THR GLU ASP ARG ALA GLU PHE GLN ARG GLN LEU HIS          
SEQRES  13 C  254  TRP ALA LEU ASN PRO SER GLN CYS THR GLU SER GLY GLN          
SEQRES  14 C  254  GLY ILE GLU GLU ALA THR GLY LEU PRO GLN THR VAL VAL          
SEQRES  15 C  254  CYS TYR ASN PRO ASP GLN ILE PRO PRO GLU ASN SER PRO          
SEQRES  16 C  254  LEU MET GLU ARG CYS PHE ILE CYS ARG LEU ARG CYS LEU          
SEQRES  17 C  254  LEU ASP ASN SER SER GLY PHE LEU ALA MET ASN PHE GLN          
SEQRES  18 C  254  GLY LYS LEU LYS TYR LEU HIS GLY GLN LYS LYS LYS GLY          
SEQRES  19 C  254  LYS ASP GLY SER ILE LEU PRO PRO GLN LEU ALA LEU PHE          
SEQRES  20 C  254  ALA ILE ALA THR PRO LEU GLN                                  
SEQRES   1 D  267  GLY PRO GLY SER ASP ALA ASP LYS GLU ARG LEU ALA ARG          
SEQRES   2 D  267  GLU ASN HIS SER GLU ILE GLU ARG ARG ARG ARG ASN LYS          
SEQRES   3 D  267  MET THR ALA TYR ILE THR GLU LEU SER ASP MET VAL PRO          
SEQRES   4 D  267  THR CYS SER ALA LEU ALA ARG LYS PRO ASP LYS LEU THR          
SEQRES   5 D  267  ILE LEU ARG MET ALA VAL SER HIS MET LYS SER LEU ARG          
SEQRES   6 D  267  GLY THR GLY ASN THR SER THR ASP GLY SER TYR LYS PRO          
SEQRES   7 D  267  SER PHE LEU THR ASP GLN GLU LEU LYS HIS LEU ILE LEU          
SEQRES   8 D  267  GLU ALA ALA ASP GLY PHE LEU PHE ILE VAL SER CYS GLU          
SEQRES   9 D  267  THR GLY ARG VAL VAL TYR VAL SER ASP SER VAL THR PRO          
SEQRES  10 D  267  VAL LEU ASN GLN PRO GLN SER GLU TRP PHE GLY SER THR          
SEQRES  11 D  267  LEU TYR ASP GLN VAL HIS PRO ASP ASP VAL ASP LYS LEU          
SEQRES  12 D  267  ARG GLU GLN LEU SER THR SER GLU ASN ALA LEU THR GLY          
SEQRES  13 D  267  ARG ILE LEU ASP LEU LYS THR GLY THR VAL LYS LYS GLU          
SEQRES  14 D  267  GLY GLN GLN SER SER MET ARG MET CYS MET GLY SER ARG          
SEQRES  15 D  267  ARG SER PHE ILE CYS ARG MET ARG CYS GLY SER SER SER          
SEQRES  16 D  267  VAL ASP PRO VAL SER VAL ASN ARG LEU SER PHE VAL ARG          
SEQRES  17 D  267  ASN ARG CYS ARG ASN GLY LEU GLY SER VAL LYS ASP GLY          
SEQRES  18 D  267  GLU PRO HIS PHE VAL VAL VAL HIS CYS THR GLY TYR ILE          
SEQRES  19 D  267  LYS ALA TRP PRO PRO ALA GLY VAL SER LEU PRO ASP ASP          
SEQRES  20 D  267  ASP PRO GLU ALA GLY GLN GLY SER LYS PHE CYS LEU VAL          
SEQRES  21 D  267  ALA ILE GLY ARG LEU GLN VAL                                  
SEQRES   1 E   12   DG  DG  DT  DC  DA  DC  DG  DC  DA  DA  DC  DC              
SEQRES   1 F   12   DG  DG  DT  DT  DG  DC  DG  DT  DG  DA  DC  DC              
SEQRES   1 G   12   DG  DG  DT  DC  DA  DC  DG  DC  DA  DA  DC  DC              
SEQRES   1 H   12   DG  DG  DT  DT  DG  DC  DG  DT  DG  DA  DC  DC              
HET    ER3  A 301       1                                                       
HET    ER3  B 401       1                                                       
HET    ER3  B 402       1                                                       
HET    ER3  B 403       1                                                       
HET    ER3  B 404       1                                                       
HET    ACT  B 405       7                                                       
HET    ER3  C 301       1                                                       
HET    ER3  C 302       1                                                       
HET    ER3  D 401       1                                                       
HET    ER3  D 402       1                                                       
HET    ER3  E 101       1                                                       
HET    ER3  G 101       1                                                       
HET    ER3  H 101       1                                                       
HETNAM     ER3 ERBIUM (III) ION                                                 
HETNAM     ACT ACETATE ION                                                      
FORMUL   9  ER3    12(ER 3+)                                                    
FORMUL  14  ACT    C2 H3 O2 1-                                                  
HELIX    1 AA1 ASN A   34  LEU A   53  1                                  20    
HELIX    2 AA2 PRO A   57  ASN A   62  1                                   6    
HELIX    3 AA3 ASP A   65  LEU A   87  1                                  23    
HELIX    4 AA4 LEU A  112  LEU A  122  1                                  11    
HELIX    5 AA5 THR A  141  GLY A  147  1                                   7    
HELIX    6 AA6 GLN A  149  VAL A  153  5                                   5    
HELIX    7 AA7 SER A  157  ILE A  162  5                                   6    
HELIX    8 AA8 HIS A  163  HIS A  175  1                                  13    
HELIX    9 AA9 LYS B   86  SER B  113  1                                  28    
HELIX   10 AB1 ASP B  127  ARG B  143  1                                  17    
HELIX   11 AB2 THR B  160  ALA B  172  1                                  13    
HELIX   12 AB3 ASP B  191  THR B  194  5                                   4    
HELIX   13 AB4 THR B  208  VAL B  213  5                                   6    
HELIX   14 AB5 HIS B  214  ASP B  216  5                                   3    
HELIX   15 AB6 ASP B  217  GLU B  223  1                                   7    
HELIX   16 AB7 ASN C   34  LEU C   53  1                                  20    
HELIX   17 AB8 PRO C   57  ASN C   62  1                                   6    
HELIX   18 AB9 ASP C   65  LYS C   88  1                                  24    
HELIX   19 AC1 GLY C  109  LEU C  122  1                                  14    
HELIX   20 AC2 THR C  141  LEU C  146  1                                   6    
HELIX   21 AC3 GLN C  149  ILE C  154  1                                   6    
HELIX   22 AC4 SER C  157  ILE C  162  5                                   6    
HELIX   23 AC5 HIS C  163  GLN C  173  1                                  11    
HELIX   24 AC6 LYS D   86  VAL D  116  1                                  31    
HELIX   25 AC7 VAL D  116  ALA D  121  1                                   6    
HELIX   26 AC8 ASP D  127  ARG D  143  1                                  17    
HELIX   27 AC9 THR D  160  ASP D  173  1                                  14    
HELIX   28 AD1 SER D  190  THR D  194  5                                   5    
SHEET    1 AA1 5 VAL A 135  ALA A 138  0                                        
SHEET    2 AA1 5 VAL A 126  THR A 130 -1  N  VAL A 128   O  TYR A 137           
SHEET    3 AA1 5 GLN A 262  THR A 270 -1  O  ALA A 267   N  LEU A 127           
SHEET    4 AA1 5 LEU A 235  LEU A 246 -1  N  LEU A 246   O  GLN A 262           
SHEET    5 AA1 5 GLU A 217  LEU A 224 -1  N  CYS A 222   O  MET A 237           
SHEET    1 AA2 5 VAL B 186  VAL B 189  0                                        
SHEET    2 AA2 5 GLY B 174  SER B 180 -1  N  ILE B 178   O  VAL B 187           
SHEET    3 AA2 5 PHE B 335  LEU B 343 -1  O  ALA B 339   N  PHE B 177           
SHEET    4 AA2 5 VAL B 304  ALA B 314 -1  N  HIS B 307   O  ARG B 342           
SHEET    5 AA2 5 ARG B 260  MET B 267 -1  N  CYS B 265   O  VAL B 306           
SHEET    1 AA3 4 VAL C 135  ALA C 138  0                                        
SHEET    2 AA3 4 VAL C 126  THR C 130 -1  N  VAL C 128   O  PHE C 136           
SHEET    3 AA3 4 LEU C 263  ILE C 268 -1  O  LEU C 265   N  VAL C 129           
SHEET    4 AA3 4 GLN C 240  GLY C 241 -1  N  GLN C 240   O  ILE C 268           
SHEET    1 AA4 4 VAL C 135  ALA C 138  0                                        
SHEET    2 AA4 4 VAL C 126  THR C 130 -1  N  VAL C 128   O  PHE C 136           
SHEET    3 AA4 4 LEU C 263  ILE C 268 -1  O  LEU C 265   N  VAL C 129           
SHEET    4 AA4 4 LYS C 244  TYR C 245 -1  N  LYS C 244   O  ALA C 264           
SHEET    1 AA5 2 ILE C 221  CYS C 222  0                                        
SHEET    2 AA5 2 MET C 237  ASN C 238 -1  O  MET C 237   N  CYS C 222           
SHEET    1 AA6 2 CYS D 308  TYR D 311  0                                        
SHEET    2 AA6 2 VAL D 338  GLY D 341 -1  O  ILE D 340   N  THR D 309           
LINK         OD2 ASP A  65                ER   ER3 E 101     1555   1555  2.76  
LINK         O   LEU A 112                ER   ER3 B 401     1555   1555  2.66  
LINK         OE1 GLU A 116                ER   ER3 B 401     1555   1555  3.18  
LINK         OE1 GLU A 165                ER   ER3 A 301     1555   1555  2.70  
LINK         OE2 GLU A 165                ER   ER3 A 301     1555   1555  2.68  
LINK         OE1 GLU B  87                ER   ER3 B 404     1555   1555  2.72  
LINK         OE2 GLU B  87                ER   ER3 B 404     1555   1555  2.72  
LINK         OD1 ASP B 161                ER   ER3 B 401     1555   1555  2.62  
LINK         OD2 ASP B 161                ER   ER3 B 401     1555   1555  2.66  
LINK         OD1 ASP B 173                ER   ER3 B 403     1555   1555  2.64  
LINK         OD2 ASP B 173                ER   ER3 B 403     1555   1555  2.62  
LINK         OE1 GLU B 203                ER   ER3 B 402     1555   1555  2.74  
LINK         OD1 ASP B 326                ER   ER3 C 302     1555   1555  2.78  
LINK         OD2 ASP C  65                ER   ER3 G 101     1555   1555  2.76  
LINK         O   LEU C 112                ER   ER3 C 302     1555   1555  2.66  
LINK         OE1 GLU C 116                ER   ER3 C 302     1555   1555  2.61  
LINK         OE2 GLU C 116                ER   ER3 C 302     1555   1555  2.71  
LINK         O   GLU C 165                ER   ER3 C 301     1555   1555  3.33  
LINK         OE1 GLU C 169                ER   ER3 C 301     1555   1555  2.70  
LINK         OE2 GLU C 169                ER   ER3 C 301     1555   1555  2.75  
LINK         OD1 ASP D 161                ER   ER3 C 302     1555   1555  2.63  
LINK         OD2 ASP D 161                ER   ER3 C 302     1555   1555  2.74  
LINK         OP1  DT E   3                ER   ER3 E 101     1555   1555  2.74  
LINK         OP1  DT G   3                ER   ER3 G 101     1555   1555  2.69  
LINK         OP1  DT H   8                ER   ER3 H 101     1555   1555  2.63  
LINK         OP2  DT H   8                ER   ER3 H 101     1555   1555  3.40  
LINK        ER   ER3 B 401                 OXT ACT B 405     1555   1555  2.76  
LINK         OP1  DT H   8                ER   ER3 H 101     1555   8556  2.63  
LINK         OP2  DT H   8                ER   ER3 H 101     1555   8556  3.40  
SITE     1 AC1  1 GLU A 165                                                     
SITE     1 AC2  4 LEU A 112  GLU A 116  ASP B 161  ACT B 405                    
SITE     1 AC3  1 GLU B 203                                                     
SITE     1 AC4  1 ASP B 173                                                     
SITE     1 AC5  1 GLU B  87                                                     
SITE     1 AC6  3 GLU A 116  LYS B 155  ER3 B 401                               
SITE     1 AC7  2 GLU C 165  GLU C 169                                          
SITE     1 AC8  4 ASP B 326  LEU C 112  GLU C 116  ASP D 161                    
SITE     1 AC9  1 ASP D 173                                                     
SITE     1 AD1  1 ASN D  93                                                     
SITE     1 AD2  2 ASP A  65   DT E   3                                          
SITE     1 AD3  2 ASP C  65   DT G   3                                          
SITE     1 AD4  1  DT H   8                                                     
CRYST1   91.321   91.321  464.914  90.00  90.00 120.00 P 65 2 2     24          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.010950  0.006322  0.000000        0.00000                         
SCALE2      0.000000  0.012644  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.002151        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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