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Entry: 3F9Z
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HEADER    TRANSFERASE                             14-NOV-08   3F9Z              
TITLE     STRUCTURAL INSIGHTS INTO LYSINE MULTIPLE METHYLATION BY SET DOMAIN    
TITLE    2 METHYLTRANSFERASES, SET8-Y245F / H4-LYS20 / ADOHCY                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE SETD8;                  
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 FRAGMENT: SET DOMAIN: UNP RESIDUES 232-393;                          
COMPND   5 SYNONYM: H4-K20-HMTASE SETD8, SET DOMAIN-CONTAINING PROTEIN 8, PR/SET
COMPND   6 DOMAIN-CONTAINING PROTEIN 07, PR/SET07, PR-SET7, LYSINE N-           
COMPND   7 METHYLTRANSFERASE 5A;                                                
COMPND   8 EC: 2.1.1.43;                                                        
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MUTATION: YES;                                                       
COMPND  11 MOL_ID: 2;                                                           
COMPND  12 MOLECULE: HISTONE H4;                                                
COMPND  13 CHAIN: E, F, G, H;                                                   
COMPND  14 FRAGMENT: UNP RESIDUES 16-25;                                        
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_TAXID: 9606;                                                
SOURCE   4 GENE: SETD8, KMT5A, PRSET7, SET07, SET8;                             
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PARALLEL;                                  
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHIS2;                                    
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 SYNTHETIC: YES;                                                      
SOURCE  12 OTHER_DETAILS: SYNTHETIC PEPTIDE CORRESPONDING TO RESIDUES 16-25 OF  
SOURCE  13 HUMAN HISTONE H4                                                     
KEYWDS    METHYLTRANSFERASE, HISTONE, SET, LYSINE, ALTERNATIVE SPLICING, CELL   
KEYWDS   2 CYCLE, CELL DIVISION, CHROMATIN REGULATOR, CHROMOSOMAL PROTEIN,      
KEYWDS   3 COILED COIL, MITOSIS, NUCLEUS, REPRESSOR, S-ADENOSYL-L-METHIONINE,   
KEYWDS   4 TRANSCRIPTION, TRANSCRIPTION REGULATION, ACETYLATION, DNA-BINDING,   
KEYWDS   5 METHYLATION, NUCLEOSOME CORE, TRANSFERASE                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.-F.COUTURE,L.M.A.DIRK,J.S.BRUNZELLE,R.L.HOUTZ,R.C.TRIEVEL           
REVDAT   5   24-JAN-18 3F9Z    1       AUTHOR                                   
REVDAT   4   09-JUN-09 3F9Z    1       REVDAT                                   
REVDAT   3   24-FEB-09 3F9Z    1       VERSN                                    
REVDAT   2   13-JAN-09 3F9Z    1       JRNL                                     
REVDAT   1   25-NOV-08 3F9Z    0                                                
JRNL        AUTH   J.F.COUTURE,L.M.DIRK,J.S.BRUNZELLE,R.L.HOUTZ,R.C.TRIEVEL     
JRNL        TITL   STRUCTURAL ORIGINS FOR THE PRODUCT SPECIFICITY OF SET DOMAIN 
JRNL        TITL 2 PROTEIN METHYLTRANSFERASES.                                  
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 105 20659 2008              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   19088188                                                     
JRNL        DOI    10.1073/PNAS.0806712105                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0019                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.90                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 87679                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.218                           
REMARK   3   R VALUE            (WORKING SET) : 0.216                           
REMARK   3   FREE R VALUE                     : 0.257                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 4612                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.64                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 6337                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.0                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2590                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 334                          
REMARK   3   BIN FREE R VALUE                    : 0.3040                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 5376                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 104                                     
REMARK   3   SOLVENT ATOMS            : 589                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 8.13                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.04000                                             
REMARK   3    B22 (A**2) : 0.01000                                              
REMARK   3    B33 (A**2) : 0.04000                                              
REMARK   3    B12 (A**2) : 0.01000                                              
REMARK   3    B13 (A**2) : 0.03000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.110         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.110         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.085         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.232         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.932                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.903                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  5622 ; 0.016 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  7538 ; 1.600 ; 1.990       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   661 ; 6.491 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   276 ;28.263 ;23.478       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  1070 ;14.173 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    50 ;16.258 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   807 ; 0.112 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  4186 ; 0.008 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  2529 ; 0.209 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  3772 ; 0.305 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   507 ; 0.132 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):   106 ; 0.198 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    48 ; 0.137 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  3451 ; 0.981 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  5322 ; 1.418 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  2496 ; 2.301 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  2216 ; 3.234 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 40                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   193        A   205                          
REMARK   3    ORIGIN FOR THE GROUP (A):  24.1671 -14.7385 -11.1661              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0357 T22:   0.1950                                     
REMARK   3      T33:   0.1375 T12:   0.0744                                     
REMARK   3      T13:   0.0014 T23:   0.0210                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7675 L22:   9.8416                                     
REMARK   3      L33:   5.1239 L12:  -3.7949                                     
REMARK   3      L13:  -0.5559 L23:  -0.4279                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3209 S12:  -0.6510 S13:   0.0955                       
REMARK   3      S21:   0.3079 S22:   0.2758 S23:  -0.4255                       
REMARK   3      S31:   0.3971 S32:   0.4383 S33:   0.0451                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   206        A   215                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.9769  -1.5437 -18.7326              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0139 T22:   0.0646                                     
REMARK   3      T33:   0.1853 T12:  -0.0444                                     
REMARK   3      T13:   0.0420 T23:   0.0057                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9161 L22:   3.7275                                     
REMARK   3      L33:   3.1546 L12:  -2.0737                                     
REMARK   3      L13:   0.8483 L23:  -2.5353                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0054 S12:   0.0956 S13:   0.2402                       
REMARK   3      S21:  -0.2890 S22:  -0.1153 S23:  -0.7269                       
REMARK   3      S31:  -0.0348 S32:   0.3144 S33:   0.1208                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   216        A   235                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.8486  -2.0395 -26.8188              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0507 T22:   0.0557                                     
REMARK   3      T33:   0.0083 T12:  -0.0164                                     
REMARK   3      T13:   0.0105 T23:   0.0340                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4001 L22:   2.8572                                     
REMARK   3      L33:   1.1174 L12:  -1.6854                                     
REMARK   3      L13:   0.1529 L23:   0.5537                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0165 S12:   0.1165 S13:   0.1387                       
REMARK   3      S21:  -0.1441 S22:   0.0299 S23:  -0.1930                       
REMARK   3      S31:  -0.0912 S32:   0.0897 S33:  -0.0134                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   236        A   248                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0160  -3.5883 -16.9548              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0190 T22:   0.0647                                     
REMARK   3      T33:   0.0406 T12:  -0.0150                                     
REMARK   3      T13:  -0.0014 T23:   0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1747 L22:   5.3794                                     
REMARK   3      L33:   2.2408 L12:   0.1976                                     
REMARK   3      L13:  -0.1110 L23:   1.0281                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0181 S12:  -0.0299 S13:   0.0689                       
REMARK   3      S21:   0.0971 S22:   0.0899 S23:  -0.2666                       
REMARK   3      S31:  -0.1264 S32:   0.0807 S33:  -0.1080                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   249        A   259                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.0530  14.2551  -3.3239              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2172 T22:   0.0562                                     
REMARK   3      T33:   0.0715 T12:  -0.0686                                     
REMARK   3      T13:   0.0010 T23:  -0.0244                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4166 L22:   8.0864                                     
REMARK   3      L33:   5.3476 L12:  -2.7994                                     
REMARK   3      L13:  -1.9657 L23:   3.0140                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1552 S12:  -0.0805 S13:   0.1368                       
REMARK   3      S21:  -0.4884 S22:  -0.0283 S23:   0.3165                       
REMARK   3      S31:  -0.9658 S32:   0.1472 S33:  -0.1269                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   260        A   277                          
REMARK   3    ORIGIN FOR THE GROUP (A):   4.5351   9.0755  -7.7978              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1283 T22:   0.0190                                     
REMARK   3      T33:   0.0332 T12:   0.0190                                     
REMARK   3      T13:  -0.0336 T23:  -0.0268                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4340 L22:   1.4307                                     
REMARK   3      L33:   4.8683 L12:   1.2799                                     
REMARK   3      L13:   2.5218 L23:   1.2226                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2333 S12:  -0.2669 S13:   0.5029                       
REMARK   3      S21:   0.0289 S22:  -0.0106 S23:   0.1006                       
REMARK   3      S31:  -0.8360 S32:  -0.1715 S33:   0.2439                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   278        A   303                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.6511   4.6416 -13.2733              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0426 T22:   0.0047                                     
REMARK   3      T33:   0.0127 T12:  -0.0077                                     
REMARK   3      T13:  -0.0047 T23:   0.0260                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7462 L22:   0.8226                                     
REMARK   3      L33:   3.1953 L12:   0.5119                                     
REMARK   3      L13:   0.3117 L23:   0.4112                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0670 S12:  -0.1051 S13:   0.1847                       
REMARK   3      S21:  -0.0577 S22:  -0.0275 S23:  -0.0872                       
REMARK   3      S31:  -0.3718 S32:   0.1622 S33:   0.0945                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   304        A   318                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.8939  -2.5545  -8.7222              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0212 T22:   0.0659                                     
REMARK   3      T33:   0.0253 T12:  -0.0015                                     
REMARK   3      T13:  -0.0316 T23:  -0.0062                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0219 L22:   1.7738                                     
REMARK   3      L33:   5.3181 L12:   3.0825                                     
REMARK   3      L13:   4.0098 L23:   1.8749                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1149 S12:  -0.2408 S13:  -0.0658                       
REMARK   3      S21:   0.1503 S22:  -0.0625 S23:  -0.2568                       
REMARK   3      S31:   0.0343 S32:   0.2189 S33:  -0.0524                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   319        A   343                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.2927  -5.5649 -14.7132              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0188 T22:   0.0371                                     
REMARK   3      T33:  -0.0181 T12:  -0.0076                                     
REMARK   3      T13:   0.0023 T23:   0.0218                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1252 L22:   1.8911                                     
REMARK   3      L33:   3.1233 L12:  -0.3046                                     
REMARK   3      L13:   0.0929 L23:   0.7112                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0414 S12:  -0.1199 S13:  -0.0503                       
REMARK   3      S21:   0.0853 S22:   0.0445 S23:  -0.0086                       
REMARK   3      S31:  -0.0853 S32:  -0.0879 S33:  -0.0030                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   344        A   352                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.6635   0.5384 -10.6677              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0194 T22:   0.1572                                     
REMARK   3      T33:   0.0052 T12:   0.0526                                     
REMARK   3      T13:   0.0136 T23:   0.0182                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.7492 L22:   3.1473                                     
REMARK   3      L33:   8.6583 L12:   0.3149                                     
REMARK   3      L13:   1.7475 L23:  -2.1811                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0607 S12:  -0.0150 S13:  -0.3144                       
REMARK   3      S21:   0.1112 S22:   0.1494 S23:   0.3416                       
REMARK   3      S31:  -0.3842 S32:  -0.8906 S33:  -0.0887                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   192        B   202                          
REMARK   3    ORIGIN FOR THE GROUP (A): -22.3583   7.0127  35.1854              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1363 T22:  -0.0191                                     
REMARK   3      T33:   0.2177 T12:   0.1228                                     
REMARK   3      T13:  -0.1427 T23:  -0.0437                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7465 L22:  13.4877                                     
REMARK   3      L33:  21.1760 L12:  -6.0927                                     
REMARK   3      L13:  -4.8355 L23:   3.8054                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4987 S12:  -0.3664 S13:  -0.6289                       
REMARK   3      S21:   1.1511 S22:   0.3392 S23:   0.0890                       
REMARK   3      S31:   0.2586 S32:   0.1886 S33:   0.1595                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   203        B   216                          
REMARK   3    ORIGIN FOR THE GROUP (A): -20.7611   4.6836  18.9986              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0012 T22:   0.0835                                     
REMARK   3      T33:   0.2435 T12:   0.0480                                     
REMARK   3      T13:  -0.0050 T23:  -0.0110                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1809 L22:   2.4661                                     
REMARK   3      L33:   8.0809 L12:   0.4845                                     
REMARK   3      L13:  -3.6682 L23:  -1.0597                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1947 S12:   0.2753 S13:  -0.0016                       
REMARK   3      S21:   0.1609 S22:   0.1055 S23:   0.4744                       
REMARK   3      S31:  -0.1671 S32:  -0.4868 S33:  -0.3002                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   217        B   235                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.5588   9.8960   9.3080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0541 T22:   0.0280                                     
REMARK   3      T33:   0.0095 T12:   0.0195                                     
REMARK   3      T13:  -0.0294 T23:   0.0056                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0618 L22:   2.1486                                     
REMARK   3      L33:   2.1665 L12:  -1.0453                                     
REMARK   3      L13:  -1.7841 L23:   1.1362                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0231 S12:   0.0658 S13:   0.1831                       
REMARK   3      S21:  -0.1380 S22:   0.0320 S23:  -0.0919                       
REMARK   3      S31:  -0.3146 S32:  -0.0523 S33:  -0.0551                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   236        B   245                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.2513   5.8622  20.5165              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0214 T22:   0.0747                                     
REMARK   3      T33:   0.0270 T12:   0.0282                                     
REMARK   3      T13:  -0.0184 T23:  -0.0256                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1494 L22:   6.7442                                     
REMARK   3      L33:   3.6251 L12:   1.0013                                     
REMARK   3      L13:   0.4317 L23:   2.6204                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0330 S12:  -0.0060 S13:   0.0480                       
REMARK   3      S21:   0.1765 S22:  -0.1875 S23:   0.1685                       
REMARK   3      S31:  -0.0250 S32:  -0.0629 S33:   0.1545                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   246        B   259                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.7825 -15.6991  10.0955              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1149 T22:   0.0895                                     
REMARK   3      T33:   0.0436 T12:  -0.0648                                     
REMARK   3      T13:   0.0011 T23:  -0.0413                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9991 L22:   4.1859                                     
REMARK   3      L33:   1.4215 L12:  -1.1806                                     
REMARK   3      L13:  -0.5251 L23:   0.5085                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0423 S12:   0.1772 S13:  -0.3259                       
REMARK   3      S21:  -0.2578 S22:  -0.0406 S23:   0.2631                       
REMARK   3      S31:   0.3636 S32:  -0.3034 S33:   0.0829                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   260        B   288                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.2629 -12.4495  10.5549              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0746 T22:   0.0282                                     
REMARK   3      T33:   0.0220 T12:  -0.0309                                     
REMARK   3      T13:   0.0045 T23:  -0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2311 L22:   1.3473                                     
REMARK   3      L33:   3.3587 L12:   0.5986                                     
REMARK   3      L13:  -0.8516 L23:  -1.5593                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1202 S12:   0.1359 S13:  -0.1504                       
REMARK   3      S21:  -0.2498 S22:   0.0677 S23:   0.0238                       
REMARK   3      S31:   0.3436 S32:  -0.2168 S33:   0.0525                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   289        B   301                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.4291   0.8736   9.7083              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0249 T22:   0.0188                                     
REMARK   3      T33:  -0.0245 T12:   0.0050                                     
REMARK   3      T13:  -0.0090 T23:   0.0043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4014 L22:   1.7880                                     
REMARK   3      L33:   2.3787 L12:  -0.3091                                     
REMARK   3      L13:   0.4796 L23:   0.2774                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0738 S12:   0.0943 S13:  -0.0551                       
REMARK   3      S21:  -0.0988 S22:   0.0372 S23:   0.0581                       
REMARK   3      S31:  -0.1090 S32:  -0.2406 S33:   0.0366                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   302        B   321                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.0611  -2.5227  21.6155              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0140 T22:   0.0181                                     
REMARK   3      T33:   0.0083 T12:  -0.0048                                     
REMARK   3      T13:   0.0108 T23:   0.0008                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  10.3519 L22:   8.6052                                     
REMARK   3      L33:   1.2815 L12:   8.2397                                     
REMARK   3      L13:  -0.1271 L23:  -0.0998                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2563 S12:  -0.3212 S13:   0.0962                       
REMARK   3      S21:   0.4476 S22:  -0.1970 S23:   0.3552                       
REMARK   3      S31:   0.0533 S32:  -0.1541 S33:  -0.0593                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   322        B   341                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.0114   1.9022  18.4094              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0082 T22:   0.0118                                     
REMARK   3      T33:  -0.0078 T12:   0.0049                                     
REMARK   3      T13:  -0.0355 T23:  -0.0042                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5683 L22:   2.5564                                     
REMARK   3      L33:   1.0870 L12:  -0.1433                                     
REMARK   3      L13:  -0.7634 L23:   0.5122                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0406 S12:  -0.0584 S13:   0.0147                       
REMARK   3      S21:   0.0865 S22:   0.0005 S23:  -0.1163                       
REMARK   3      S31:  -0.0186 S32:   0.0678 S33:   0.0402                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   342        B   352                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.0122  -6.7143  12.4079              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0003 T22:   0.0680                                     
REMARK   3      T33:   0.1258 T12:   0.0329                                     
REMARK   3      T13:   0.0386 T23:   0.0525                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7471 L22:  10.6328                                     
REMARK   3      L33:   4.0685 L12:  -1.3429                                     
REMARK   3      L13:  -0.3575 L23:   0.0316                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0806 S12:  -0.0839 S13:   0.1916                       
REMARK   3      S21:  -0.1735 S22:  -0.1417 S23:  -0.8740                       
REMARK   3      S31:   0.2729 S32:   0.4912 S33:   0.2223                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   193        C   207                          
REMARK   3    ORIGIN FOR THE GROUP (A): -26.8471  24.1862 -15.6570              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0234 T22:   0.0089                                     
REMARK   3      T33:   0.0287 T12:   0.0460                                     
REMARK   3      T13:   0.0527 T23:   0.0883                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6036 L22:   0.9809                                     
REMARK   3      L33:   8.5177 L12:  -0.6098                                     
REMARK   3      L13:  -2.9250 L23:   1.7563                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2379 S12:  -0.4036 S13:  -0.2859                       
REMARK   3      S21:   0.2386 S22:   0.0664 S23:   0.2497                       
REMARK   3      S31:   0.3803 S32:  -0.0408 S33:   0.1715                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   208        C   230                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.3819  28.3322 -36.6030              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0196 T22:   0.0478                                     
REMARK   3      T33:   0.0333 T12:   0.0052                                     
REMARK   3      T13:  -0.0126 T23:   0.0231                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1588 L22:   1.5064                                     
REMARK   3      L33:   1.8454 L12:   0.4974                                     
REMARK   3      L13:  -1.2270 L23:  -0.3326                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0350 S12:   0.1537 S13:   0.1062                       
REMARK   3      S21:  -0.0412 S22:   0.0971 S23:   0.2080                       
REMARK   3      S31:  -0.1244 S32:  -0.1925 S33:  -0.0622                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   231        C   248                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.4271  27.8231 -29.3633              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0025 T22:   0.0432                                     
REMARK   3      T33:   0.0366 T12:   0.0021                                     
REMARK   3      T13:  -0.0027 T23:   0.0066                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4021 L22:   2.5896                                     
REMARK   3      L33:   1.6518 L12:   0.3315                                     
REMARK   3      L13:  -0.0662 L23:   0.0316                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0448 S12:  -0.0595 S13:   0.1359                       
REMARK   3      S21:   0.0447 S22:  -0.0887 S23:   0.2167                       
REMARK   3      S31:  -0.0802 S32:  -0.0478 S33:   0.0439                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   249        C   260                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.7230   3.3026 -36.9828              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1686 T22:   0.0191                                     
REMARK   3      T33:   0.0355 T12:  -0.0244                                     
REMARK   3      T13:  -0.0362 T23:  -0.0089                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.6436 L22:   6.0816                                     
REMARK   3      L33:   2.1497 L12:  -4.8747                                     
REMARK   3      L13:  -0.9233 L23:   1.0259                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0617 S12:   0.1556 S13:  -0.3426                       
REMARK   3      S21:  -0.4015 S22:  -0.0385 S23:   0.2120                       
REMARK   3      S31:   0.3887 S32:  -0.0446 S33:  -0.0232                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   261        C   270                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.2294   9.1225 -46.6657              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2253 T22:   0.0311                                     
REMARK   3      T33:   0.0575 T12:   0.0132                                     
REMARK   3      T13:   0.0589 T23:  -0.0284                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5780 L22:   2.3564                                     
REMARK   3      L33:   3.5008 L12:  -0.4208                                     
REMARK   3      L13:  -1.2863 L23:  -2.0029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0581 S12:   0.2995 S13:  -0.0618                       
REMARK   3      S21:  -0.5556 S22:  -0.0377 S23:  -0.2196                       
REMARK   3      S31:   0.6409 S32:   0.1463 S33:  -0.0203                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   271        C   288                          
REMARK   3    ORIGIN FOR THE GROUP (A): -11.8368   9.5867 -31.7002              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0368 T22:   0.0144                                     
REMARK   3      T33:   0.0198 T12:  -0.0072                                     
REMARK   3      T13:  -0.0145 T23:   0.0036                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3045 L22:   4.8057                                     
REMARK   3      L33:   4.6212 L12:   0.1788                                     
REMARK   3      L13:  -0.4097 L23:  -1.8148                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0018 S12:  -0.0345 S13:  -0.1246                       
REMARK   3      S21:  -0.0357 S22:   0.0752 S23:   0.1203                       
REMARK   3      S31:   0.2447 S32:  -0.1332 S33:  -0.0734                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   289        C   302                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.9166  22.7780 -36.5085              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0281 T22:   0.0121                                     
REMARK   3      T33:  -0.0082 T12:   0.0041                                     
REMARK   3      T13:   0.0120 T23:   0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2400 L22:   2.2322                                     
REMARK   3      L33:   3.8632 L12:   0.4453                                     
REMARK   3      L13:   2.3122 L23:   0.0857                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1005 S12:   0.1563 S13:   0.0901                       
REMARK   3      S21:  -0.0871 S22:   0.0272 S23:   0.0163                       
REMARK   3      S31:  -0.0186 S32:  -0.0197 S33:   0.0733                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   303        C   313                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.5893  18.9854 -24.0524              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0504 T22:   0.0246                                     
REMARK   3      T33:   0.0286 T12:  -0.0255                                     
REMARK   3      T13:   0.0149 T23:   0.0128                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.7370 L22:   7.9974                                     
REMARK   3      L33:   0.9993 L12:   5.5209                                     
REMARK   3      L13:  -0.6816 L23:  -0.8450                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1659 S12:  -0.2657 S13:   0.0254                       
REMARK   3      S21:   0.3152 S22:  -0.1201 S23:   0.4038                       
REMARK   3      S31:   0.0945 S32:  -0.1237 S33:  -0.0459                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   314        C   338                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.2880  24.2926 -27.9864              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0083 T22:   0.0022                                     
REMARK   3      T33:  -0.0051 T12:   0.0031                                     
REMARK   3      T13:  -0.0031 T23:   0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1773 L22:   2.5495                                     
REMARK   3      L33:   1.4145 L12:   0.9102                                     
REMARK   3      L13:  -0.1881 L23:  -0.1629                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0113 S12:  -0.0586 S13:   0.0576                       
REMARK   3      S21:   0.1089 S22:   0.0195 S23:   0.0814                       
REMARK   3      S31:   0.0457 S32:   0.0193 S33:  -0.0308                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   339        C   352                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.6936  15.3908 -33.3088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0300 T22:   0.0526                                     
REMARK   3      T33:   0.2008 T12:   0.0392                                     
REMARK   3      T13:   0.0137 T23:  -0.0039                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2219 L22:   6.6932                                     
REMARK   3      L33:   3.5308 L12:   0.0771                                     
REMARK   3      L13:  -2.1450 L23:   1.4335                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1895 S12:  -0.1791 S13:  -0.1739                       
REMARK   3      S21:  -0.0553 S22:   0.1482 S23:  -0.9023                       
REMARK   3      S31:   0.3621 S32:   0.4077 S33:   0.0413                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   192        D   204                          
REMARK   3    ORIGIN FOR THE GROUP (A):  24.1078  11.3991 -59.9968              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0476 T22:   0.0107                                     
REMARK   3      T33:   0.0370 T12:   0.0537                                     
REMARK   3      T13:  -0.0612 T23:  -0.0673                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6174 L22:  14.4480                                     
REMARK   3      L33:   0.7376 L12:  -4.3588                                     
REMARK   3      L13:   0.3125 L23:  -2.5978                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2895 S12:   0.3768 S13:  -0.5558                       
REMARK   3      S21:   0.1399 S22:  -0.4844 S23:   0.0507                       
REMARK   3      S31:   0.2892 S32:   0.2420 S33:   0.1949                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   205        D   232                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.7034  23.4443 -70.7853              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0166 T22:  -0.0009                                     
REMARK   3      T33:   0.0269 T12:  -0.0057                                     
REMARK   3      T13:   0.0122 T23:   0.0121                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1597 L22:   1.0676                                     
REMARK   3      L33:   1.9558 L12:  -0.6790                                     
REMARK   3      L13:   0.4785 L23:   0.3235                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0507 S12:   0.1977 S13:   0.0411                       
REMARK   3      S21:  -0.1001 S22:   0.0202 S23:  -0.1453                       
REMARK   3      S31:  -0.0118 S32:   0.2240 S33:  -0.0709                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   233        D   242                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.9350  13.6241 -69.5219              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0097 T22:   0.0201                                     
REMARK   3      T33:   0.0952 T12:   0.0249                                     
REMARK   3      T13:  -0.0079 T23:  -0.0094                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7884 L22:   4.2581                                     
REMARK   3      L33:   4.4636 L12:  -1.9610                                     
REMARK   3      L13:   1.8896 L23:   0.2084                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1714 S12:   0.1399 S13:  -0.2511                       
REMARK   3      S21:  -0.1043 S22:   0.0011 S23:  -0.1159                       
REMARK   3      S31:   0.2095 S32:   0.2133 S33:  -0.1725                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   243        D   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.5031  33.3604 -54.9090              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0583 T22:   0.0277                                     
REMARK   3      T33:   0.0491 T12:  -0.0243                                     
REMARK   3      T13:  -0.0125 T23:  -0.0164                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6851 L22:   1.0466                                     
REMARK   3      L33:   4.1051 L12:  -0.5475                                     
REMARK   3      L13:  -0.6942 L23:   1.1418                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0527 S12:  -0.1507 S13:   0.1487                       
REMARK   3      S21:   0.0948 S22:   0.0062 S23:  -0.1193                       
REMARK   3      S31:  -0.3542 S32:   0.0948 S33:  -0.0590                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   257        D   268                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.3120  40.1558 -56.2037              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1512 T22:   0.0080                                     
REMARK   3      T33:   0.0852 T12:   0.0360                                     
REMARK   3      T13:  -0.0161 T23:  -0.0401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1726 L22:   4.1504                                     
REMARK   3      L33:   6.0471 L12:  -0.9406                                     
REMARK   3      L13:   2.4380 L23:   1.0212                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0510 S12:  -0.3588 S13:   0.3268                       
REMARK   3      S21:  -0.0378 S22:  -0.1103 S23:   0.2941                       
REMARK   3      S31:  -0.3870 S32:  -0.3270 S33:   0.1613                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   269        D   288                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.9984  30.4413 -53.2210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0104 T22:   0.0471                                     
REMARK   3      T33:   0.0147 T12:  -0.0174                                     
REMARK   3      T13:  -0.0038 T23:  -0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4910 L22:   2.2769                                     
REMARK   3      L33:   3.6744 L12:  -0.7106                                     
REMARK   3      L13:   1.4295 L23:  -1.1222                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0048 S12:  -0.2736 S13:   0.0604                       
REMARK   3      S21:   0.1009 S22:  -0.0051 S23:  -0.1296                       
REMARK   3      S31:  -0.2032 S32:   0.1286 S33:   0.0099                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   289        D   303                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.1358  25.4931 -66.0326              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0088 T22:  -0.0144                                     
REMARK   3      T33:  -0.0035 T12:   0.0040                                     
REMARK   3      T13:  -0.0236 T23:   0.0114                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7935 L22:   2.8896                                     
REMARK   3      L33:   2.4697 L12:   0.3339                                     
REMARK   3      L13:  -1.2415 L23:  -0.0753                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0323 S12:  -0.0732 S13:  -0.0526                       
REMARK   3      S21:  -0.0616 S22:  -0.0936 S23:  -0.1888                       
REMARK   3      S31:  -0.0110 S32:   0.0765 S33:   0.0613                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   304        D   321                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.8933  21.6953 -57.3644              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0110 T22:   0.0520                                     
REMARK   3      T33:   0.0759 T12:   0.0078                                     
REMARK   3      T13:  -0.0438 T23:   0.0051                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3533 L22:   3.8263                                     
REMARK   3      L33:   3.7930 L12:   4.2453                                     
REMARK   3      L13:   3.0964 L23:   3.4149                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2224 S12:  -0.0923 S13:  -0.2312                       
REMARK   3      S21:   0.1816 S22:   0.0203 S23:  -0.2880                       
REMARK   3      S31:   0.2346 S32:   0.2586 S33:  -0.2427                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   322        D   337                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.1713  15.1059 -66.2811              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0074 T22:  -0.0208                                     
REMARK   3      T33:   0.0275 T12:  -0.0028                                     
REMARK   3      T13:  -0.0134 T23:   0.0111                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5595 L22:   2.2420                                     
REMARK   3      L33:   1.8902 L12:  -0.2095                                     
REMARK   3      L13:   0.5673 L23:   0.6133                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0263 S12:  -0.0185 S13:  -0.1729                       
REMARK   3      S21:   0.0189 S22:   0.0438 S23:  -0.0606                       
REMARK   3      S31:   0.1804 S32:   0.0340 S33:  -0.0701                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   338        D   352                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.1466  21.9792 -55.4216              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0023 T22:   0.0557                                     
REMARK   3      T33:   0.0220 T12:  -0.0175                                     
REMARK   3      T13:  -0.0003 T23:   0.0125                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6319 L22:   2.5792                                     
REMARK   3      L33:   7.3840 L12:  -0.0203                                     
REMARK   3      L13:  -0.7728 L23:   0.9221                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1196 S12:  -0.0029 S13:  -0.0796                       
REMARK   3      S21:   0.1023 S22:  -0.0026 S23:   0.2525                       
REMARK   3      S31:   0.1656 S32:  -0.3587 S33:   0.1222                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 3F9Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-NOV-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000050332.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-MAR-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 200                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : BM30A                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0000                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 90904                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 3.600                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.04100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 31.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.70                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.17300                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 8.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1ZKK                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.58                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PENTAERYTHRITOL ETHOXYLATE, 50MM     
REMARK 280  AMMONIUM SULFATE, 50MM BIS-TRIS, PH 6.5, VAPOR DIFFUSION,           
REMARK 280  HANGING DROP, TEMPERATURE 298K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1650 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9280 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.2 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1680 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9740 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.2 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1430 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9410 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -6.2 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, G                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1630 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9770 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -6.5 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, 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 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   187                                                      
REMARK 465     ALA A   188                                                      
REMARK 465     MET A   189                                                      
REMARK 465     GLY A   190                                                      
REMARK 465     SER A   191                                                      
REMARK 465     ARG A   192                                                      
REMARK 465     GLN A   264                                                      
REMARK 465     ASP A   265                                                      
REMARK 465     PRO A   266                                                      
REMARK 465     SER A   267                                                      
REMARK 465     GLY B   187                                                      
REMARK 465     ALA B   188                                                      
REMARK 465     MET B   189                                                      
REMARK 465     GLY B   190                                                      
REMARK 465     SER B   191                                                      
REMARK 465     GLY C   187                                                      
REMARK 465     ALA C   188                                                      
REMARK 465     MET C   189                                                      
REMARK 465     GLY C   190                                                      
REMARK 465     SER C   191                                                      
REMARK 465     ARG C   192                                                      
REMARK 465     GLY D   187                                                      
REMARK 465     ALA D   188                                                      
REMARK 465     MET D   189                                                      
REMARK 465     GLY D   190                                                      
REMARK 465     SER D   191                                                      
REMARK 465     ALA E    15                                                      
REMARK 465     ALA F    15                                                      
REMARK 465     ASP F    24                                                      
REMARK 465     ALA G    15                                                      
REMARK 465     ARG G    23                                                      
REMARK 465     ASP G    24                                                      
REMARK 465     ALA H    15                                                      
REMARK 465     ASP H    24                                                      
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 B 192    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D 192    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS E  16    CG   CD   CE   NZ                                   
REMARK 470     LYS F  16    CG   CD   CE   NZ                                   
REMARK 470     LYS G  16    CG   CD   CE   NZ                                   
REMARK 470     ARG G  19    CG   CD   NE   CZ   NH1  NH2                        
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   OD1  ASP D   207     NE2  HIS D   310              2.17            
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    VAL A 242      -60.18   -108.82                                   
REMARK 500    LEU B 278     -129.25     56.48                                   
REMARK 500    VAL C 242      -63.07   -106.73                                   
REMARK 500    CYS C 302       51.41   -119.88                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAH A 801                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAH B 801                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAH C 801                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAH D 801                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1ZKK   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF HSET8 IN TERNARY COMPLEX WITH H4 PEPTIDE (16-   
REMARK 900 24) AND ADOHCY                                                       
REMARK 900 RELATED ID: 3F9W   RELATED DB: PDB                                   
REMARK 900 STRUCTURAL INSIGHTS INTO LYSINE MULTIPLE METHYLATION BY SET DOMAIN   
REMARK 900 METHYLTRANSFERASES, SET8-Y334F / H4-LYS20 / ADOHCY                   
REMARK 900 RELATED ID: 3F9X   RELATED DB: PDB                                   
REMARK 900 STRUCTURAL INSIGHTS INTO LYSINE MULTIPLE METHYLATION BY SET DOMAIN   
REMARK 900 METHYLTRANSFERASES, SET8-Y334F / H4-LYS20ME2 / ADOHCY                
REMARK 900 RELATED ID: 3F9Y   RELATED DB: PDB                                   
REMARK 900 STRUCTURAL INSIGHTS INTO LYSINE MULTIPLE METHYLATION BY SET DOMAIN   
REMARK 900 METHYLTRANSFERASES, SET8-Y334F / H4-LYS20ME1 / ADOHCY                
DBREF  3F9Z A  191   352  UNP    Q9NQR1   SETD8_HUMAN    232    393             
DBREF  3F9Z B  191   352  UNP    Q9NQR1   SETD8_HUMAN    232    393             
DBREF  3F9Z C  191   352  UNP    Q9NQR1   SETD8_HUMAN    232    393             
DBREF  3F9Z D  191   352  UNP    Q9NQR1   SETD8_HUMAN    232    393             
DBREF  3F9Z E   15    24  UNP    P62805   H4_HUMAN        16     25             
DBREF  3F9Z F   15    24  UNP    P62805   H4_HUMAN        16     25             
DBREF  3F9Z G   15    24  UNP    P62805   H4_HUMAN        16     25             
DBREF  3F9Z H   15    24  UNP    P62805   H4_HUMAN        16     25             
SEQADV 3F9Z GLY A  187  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z ALA A  188  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z MET A  189  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z GLY A  190  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z PHE A  245  UNP  Q9NQR1    TYR   286 ENGINEERED                     
SEQADV 3F9Z GLY B  187  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z ALA B  188  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z MET B  189  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z GLY B  190  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z PHE B  245  UNP  Q9NQR1    TYR   286 ENGINEERED                     
SEQADV 3F9Z GLY C  187  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z ALA C  188  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z MET C  189  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z GLY C  190  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z PHE C  245  UNP  Q9NQR1    TYR   286 ENGINEERED                     
SEQADV 3F9Z GLY D  187  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z ALA D  188  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z MET D  189  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z GLY D  190  UNP  Q9NQR1              EXPRESSION TAG                 
SEQADV 3F9Z PHE D  245  UNP  Q9NQR1    TYR   286 ENGINEERED                     
SEQRES   1 A  166  GLY ALA MET GLY SER ARG LYS SER LYS ALA GLU LEU GLN          
SEQRES   2 A  166  SER GLU GLU ARG LYS ARG ILE ASP GLU LEU ILE GLU SER          
SEQRES   3 A  166  GLY LYS GLU GLU GLY MET LYS ILE ASP LEU ILE ASP GLY          
SEQRES   4 A  166  LYS GLY ARG GLY VAL ILE ALA THR LYS GLN PHE SER ARG          
SEQRES   5 A  166  GLY ASP PHE VAL VAL GLU PHE HIS GLY ASP LEU ILE GLU          
SEQRES   6 A  166  ILE THR ASP ALA LYS LYS ARG GLU ALA LEU TYR ALA GLN          
SEQRES   7 A  166  ASP PRO SER THR GLY CYS TYR MET TYR TYR PHE GLN TYR          
SEQRES   8 A  166  LEU SER LYS THR TYR CYS VAL ASP ALA THR ARG GLU THR          
SEQRES   9 A  166  ASN ARG LEU GLY ARG LEU ILE ASN HIS SER LYS CYS GLY          
SEQRES  10 A  166  ASN CYS GLN THR LYS LEU HIS ASP ILE ASP GLY VAL PRO          
SEQRES  11 A  166  HIS LEU ILE LEU ILE ALA SER ARG ASP ILE ALA ALA GLY          
SEQRES  12 A  166  GLU GLU LEU LEU TYR ASP TYR GLY ASP ARG SER LYS ALA          
SEQRES  13 A  166  SER ILE GLU ALA HIS PRO TRP LEU LYS HIS                      
SEQRES   1 B  166  GLY ALA MET GLY SER ARG LYS SER LYS ALA GLU LEU GLN          
SEQRES   2 B  166  SER GLU GLU ARG LYS ARG ILE ASP GLU LEU ILE GLU SER          
SEQRES   3 B  166  GLY LYS GLU GLU GLY MET LYS ILE ASP LEU ILE ASP GLY          
SEQRES   4 B  166  LYS GLY ARG GLY VAL ILE ALA THR LYS GLN PHE SER ARG          
SEQRES   5 B  166  GLY ASP PHE VAL VAL GLU PHE HIS GLY ASP LEU ILE GLU          
SEQRES   6 B  166  ILE THR ASP ALA LYS LYS ARG GLU ALA LEU TYR ALA GLN          
SEQRES   7 B  166  ASP PRO SER THR GLY CYS TYR MET TYR TYR PHE GLN TYR          
SEQRES   8 B  166  LEU SER LYS THR TYR CYS VAL ASP ALA THR ARG GLU THR          
SEQRES   9 B  166  ASN ARG LEU GLY ARG LEU ILE ASN HIS SER LYS CYS GLY          
SEQRES  10 B  166  ASN CYS GLN THR LYS LEU HIS ASP ILE ASP GLY VAL PRO          
SEQRES  11 B  166  HIS LEU ILE LEU ILE ALA SER ARG ASP ILE ALA ALA GLY          
SEQRES  12 B  166  GLU GLU LEU LEU TYR ASP TYR GLY ASP ARG SER LYS ALA          
SEQRES  13 B  166  SER ILE GLU ALA HIS PRO TRP LEU LYS HIS                      
SEQRES   1 C  166  GLY ALA MET GLY SER ARG LYS SER LYS ALA GLU LEU GLN          
SEQRES   2 C  166  SER GLU GLU ARG LYS ARG ILE ASP GLU LEU ILE GLU SER          
SEQRES   3 C  166  GLY LYS GLU GLU GLY MET LYS ILE ASP LEU ILE ASP GLY          
SEQRES   4 C  166  LYS GLY ARG GLY VAL ILE ALA THR LYS GLN PHE SER ARG          
SEQRES   5 C  166  GLY ASP PHE VAL VAL GLU PHE HIS GLY ASP LEU ILE GLU          
SEQRES   6 C  166  ILE THR ASP ALA LYS LYS ARG GLU ALA LEU TYR ALA GLN          
SEQRES   7 C  166  ASP PRO SER THR GLY CYS TYR MET TYR TYR PHE GLN TYR          
SEQRES   8 C  166  LEU SER LYS THR TYR CYS VAL ASP ALA THR ARG GLU THR          
SEQRES   9 C  166  ASN ARG LEU GLY ARG LEU ILE ASN HIS SER LYS CYS GLY          
SEQRES  10 C  166  ASN CYS GLN THR LYS LEU HIS ASP ILE ASP GLY VAL PRO          
SEQRES  11 C  166  HIS LEU ILE LEU ILE ALA SER ARG ASP ILE ALA ALA GLY          
SEQRES  12 C  166  GLU GLU LEU LEU TYR ASP TYR GLY ASP ARG SER LYS ALA          
SEQRES  13 C  166  SER ILE GLU ALA HIS PRO TRP LEU LYS HIS                      
SEQRES   1 D  166  GLY ALA MET GLY SER ARG LYS SER LYS ALA GLU LEU GLN          
SEQRES   2 D  166  SER GLU GLU ARG LYS ARG ILE ASP GLU LEU ILE GLU SER          
SEQRES   3 D  166  GLY LYS GLU GLU GLY MET LYS ILE ASP LEU ILE ASP GLY          
SEQRES   4 D  166  LYS GLY ARG GLY VAL ILE ALA THR LYS GLN PHE SER ARG          
SEQRES   5 D  166  GLY ASP PHE VAL VAL GLU PHE HIS GLY ASP LEU ILE GLU          
SEQRES   6 D  166  ILE THR ASP ALA LYS LYS ARG GLU ALA LEU TYR ALA GLN          
SEQRES   7 D  166  ASP PRO SER THR GLY CYS TYR MET TYR TYR PHE GLN TYR          
SEQRES   8 D  166  LEU SER LYS THR TYR CYS VAL ASP ALA THR ARG GLU THR          
SEQRES   9 D  166  ASN ARG LEU GLY ARG LEU ILE ASN HIS SER LYS CYS GLY          
SEQRES  10 D  166  ASN CYS GLN THR LYS LEU HIS ASP ILE ASP GLY VAL PRO          
SEQRES  11 D  166  HIS LEU ILE LEU ILE ALA SER ARG ASP ILE ALA ALA GLY          
SEQRES  12 D  166  GLU GLU LEU LEU TYR ASP TYR GLY ASP ARG SER LYS ALA          
SEQRES  13 D  166  SER ILE GLU ALA HIS PRO TRP LEU LYS HIS                      
SEQRES   1 E   10  ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP                      
SEQRES   1 F   10  ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP                      
SEQRES   1 G   10  ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP                      
SEQRES   1 H   10  ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP                      
HET    SAH  A 801      26                                                       
HET    SAH  B 801      26                                                       
HET    SAH  C 801      26                                                       
HET    SAH  D 801      26                                                       
HETNAM     SAH S-ADENOSYL-L-HOMOCYSTEINE                                        
FORMUL   9  SAH    4(C14 H20 N6 O5 S)                                           
FORMUL  13  HOH   *589(H2 O)                                                    
HELIX    1   1 SER A  194  GLY A  213  1                                  20    
HELIX    2   2 ILE A  252  ALA A  263  1                                  12    
HELIX    3   3 LEU A  293  ILE A  297  5                                   5    
HELIX    4   4 SER A  340  HIS A  347  1                                   8    
HELIX    5   5 PRO A  348  HIS A  352  5                                   5    
HELIX    6   6 SER B  194  GLY B  213  1                                  20    
HELIX    7   7 ILE B  252  ALA B  263  1                                  12    
HELIX    8   8 LEU B  293  ILE B  297  5                                   5    
HELIX    9   9 SER B  340  HIS B  347  1                                   8    
HELIX   10  10 PRO B  348  HIS B  352  5                                   5    
HELIX   11  11 SER C  194  GLY C  213  1                                  20    
HELIX   12  12 ILE C  252  GLN C  264  1                                  13    
HELIX   13  13 LEU C  293  ILE C  297  5                                   5    
HELIX   14  14 SER C  340  HIS C  347  1                                   8    
HELIX   15  15 PRO C  348  HIS C  352  5                                   5    
HELIX   16  16 SER D  194  GLY D  213  1                                  20    
HELIX   17  17 ILE D  252  ALA D  263  1                                  12    
HELIX   18  18 LEU D  293  ILE D  297  5                                   5    
HELIX   19  19 SER D  340  HIS D  347  1                                   8    
HELIX   20  20 PRO D  348  HIS D  352  5                                   5    
SHEET    1   A 2 MET A 218  ILE A 223  0                                        
SHEET    2   A 2 GLY A 227  ALA A 232 -1  O  GLY A 229   N  ASP A 221           
SHEET    1   B 3 PHE A 241  GLU A 244  0                                        
SHEET    2   B 3 VAL A 315  ALA A 322 -1  O  LEU A 320   N  VAL A 242           
SHEET    3   B 3 CYS A 305  ILE A 312 -1  N  HIS A 310   O  HIS A 317           
SHEET    1   C 4 ASP A 248  GLU A 251  0                                        
SHEET    2   C 4 LYS A 280  ASP A 285 -1  O  ASP A 285   N  ASP A 248           
SHEET    3   C 4 MET A 272  TYR A 277 -1  N  PHE A 275   O  TYR A 282           
SHEET    4   C 4 LYS F  20  VAL F  21  1  O  LYS F  20   N  TYR A 274           
SHEET    1   D 2 ASN A 298  HIS A 299  0                                        
SHEET    2   D 2 LEU A 333  TYR A 334  1  O  TYR A 334   N  ASN A 298           
SHEET    1   E 2 MET B 218  ILE B 223  0                                        
SHEET    2   E 2 GLY B 227  ALA B 232 -1  O  ILE B 231   N  LYS B 219           
SHEET    1   F 3 PHE B 241  PHE B 245  0                                        
SHEET    2   F 3 VAL B 315  ALA B 322 -1  O  LEU B 320   N  VAL B 243           
SHEET    3   F 3 CYS B 305  ILE B 312 -1  N  HIS B 310   O  HIS B 317           
SHEET    1   G 4 ASP B 248  GLU B 251  0                                        
SHEET    2   G 4 LYS B 280  ASP B 285 -1  O  CYS B 283   N  ILE B 250           
SHEET    3   G 4 MET B 272  TYR B 277 -1  N  TYR B 277   O  LYS B 280           
SHEET    4   G 4 LYS E  20  LEU E  22  1  O  LEU E  22   N  TYR B 274           
SHEET    1   H 2 ASN B 298  HIS B 299  0                                        
SHEET    2   H 2 LEU B 333  TYR B 334  1  O  TYR B 334   N  ASN B 298           
SHEET    1   I 2 MET C 218  ILE C 223  0                                        
SHEET    2   I 2 GLY C 227  ALA C 232 -1  O  GLY C 227   N  ILE C 223           
SHEET    1   J 3 PHE C 241  PHE C 245  0                                        
SHEET    2   J 3 VAL C 315  ALA C 322 -1  O  LEU C 320   N  VAL C 243           
SHEET    3   J 3 CYS C 305  ILE C 312 -1  N  HIS C 310   O  HIS C 317           
SHEET    1   K 3 ASP C 248  GLU C 251  0                                        
SHEET    2   K 3 LYS C 280  ASP C 285 -1  O  ASP C 285   N  ASP C 248           
SHEET    3   K 3 MET C 272  TYR C 277 -1  N  PHE C 275   O  TYR C 282           
SHEET    1   L 2 ASN C 298  HIS C 299  0                                        
SHEET    2   L 2 LEU C 333  TYR C 334  1  O  TYR C 334   N  ASN C 298           
SHEET    1   M 2 MET D 218  ILE D 223  0                                        
SHEET    2   M 2 GLY D 227  ALA D 232 -1  O  ILE D 231   N  LYS D 219           
SHEET    1   N 3 PHE D 241  PHE D 245  0                                        
SHEET    2   N 3 VAL D 315  ALA D 322 -1  O  LEU D 320   N  VAL D 243           
SHEET    3   N 3 CYS D 305  ILE D 312 -1  N  HIS D 310   O  HIS D 317           
SHEET    1   O 4 ASP D 248  GLU D 251  0                                        
SHEET    2   O 4 LYS D 280  ASP D 285 -1  O  ASP D 285   N  ASP D 248           
SHEET    3   O 4 MET D 272  TYR D 277 -1  N  TYR D 277   O  LYS D 280           
SHEET    4   O 4 LYS H  20  VAL H  21  1  O  LYS H  20   N  TYR D 274           
SHEET    1   P 2 ASN D 298  HIS D 299  0                                        
SHEET    2   P 2 LEU D 333  TYR D 334  1  O  TYR D 334   N  ASN D 298           
SITE     1 AC1 17 HOH A  87  HOH A 115  HOH A 137  GLY A 225                    
SITE     2 AC1 17 LYS A 226  ARG A 228  CYS A 270  TYR A 271                    
SITE     3 AC1 17 ARG A 295  LEU A 296  ASN A 298  HIS A 299                    
SITE     4 AC1 17 TYR A 336  TRP A 349  HOH A 374  HOH A 425                    
SITE     5 AC1 17 HIS F  18                                                     
SITE     1 AC2 14 HOH B  85  GLY B 225  LYS B 226  ARG B 228                    
SITE     2 AC2 14 CYS B 270  TYR B 271  LEU B 296  ASN B 298                    
SITE     3 AC2 14 HIS B 299  TYR B 336  TRP B 349  HOH B 401                    
SITE     4 AC2 14 HOH B 410  HIS E  18                                          
SITE     1 AC3 15 HOH C 157  HOH C 171  HOH C 177  GLY C 225                    
SITE     2 AC3 15 LYS C 226  ARG C 228  CYS C 270  TYR C 271                    
SITE     3 AC3 15 LEU C 296  ASN C 298  HIS C 299  TYR C 336                    
SITE     4 AC3 15 TRP C 349  HOH C 363  HIS G  18                               
SITE     1 AC4 18 HOH B  21  HOH D  17  HOH D  45  HOH D  55                    
SITE     2 AC4 18 HOH D 160  GLY D 225  LYS D 226  ARG D 228                    
SITE     3 AC4 18 CYS D 270  TYR D 271  ARG D 295  LEU D 296                    
SITE     4 AC4 18 ASN D 298  HIS D 299  TYR D 336  TRP D 349                    
SITE     5 AC4 18 ARG E  23  HIS H  18                                          
CRYST1   43.990   45.550   94.410  89.37  87.09  90.50 P 1           4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.022732  0.000200 -0.001157        0.00000                         
SCALE2      0.000000  0.021955 -0.000252        0.00000                         
SCALE3      0.000000  0.000000  0.010606        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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