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Database: PDB
Entry: 4UIX
LinkDB: 4UIX
Original site: 4UIX 
HEADER    TRANSCRIPTION                           03-APR-15   4UIX              
TITLE     N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-DIMETHOXYPHENYL)-N-  
TITLE    2 (1,1-DIOXO-1-THIAN-4-YL)-5-METHYL-4-OXO-4H,5H-THIENO-3,2-C-PYRIDINE- 
TITLE    3 2- CARBOXAMIDE                                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BROMODOMAIN-CONTAINING PROTEIN 4;                          
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 FRAGMENT: N-TERMINAL BROMODOMAIN, RESIDUES 44-168;                   
COMPND   5 SYNONYM: PROTEIN HUNK1, NHUMAN BRD4;                                 
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    TRANSCRIPTION, INHIBITOR, HISTONE, EPIGENETIC READER, BROMODOMAIN,    
KEYWDS   2 BRD4, BROMODOMAIN CONTAINING PROTEIN 4, ANTAGONIST                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.CHUNG,N.T.THEODOULOU,P.BAMBOROUGH,P.G.HUMPHREYS                     
REVDAT   4   15-MAY-19 4UIX    1       REMARK                                   
REVDAT   3   27-SEP-17 4UIX    1       REMARK                                   
REVDAT   2   09-MAR-16 4UIX    1       JRNL                                     
REVDAT   1   22-APR-15 4UIX    0                                                
JRNL        AUTH   N.H.THEODOULOU,P.BAMBOROUGH,A.J.BANNISTER,I.BECHER,R.A.BIT,  
JRNL        AUTH 2 K.H.CHE,C.CHUNG,A.DITTMANN,G.DREWES,D.H.DREWRY,L.GORDON,     
JRNL        AUTH 3 P.GRANDI,M.LEVERIDGE,M.LINDON,A.MICHON,J.MOLNAR,S.C.ROBSON,  
JRNL        AUTH 4 N.C.O.TOMKINSON,T.KOUZARIDES,R.K.PRINJHA,P.G.HUMPHREYS       
JRNL        TITL   THE DISCOVERY OF I-BRD9, A SELECTIVE CELL ACTIVE CHEMICAL    
JRNL        TITL 2 PROBE FOR BROMODOMAIN CONTAINING PROTEIN 9 INHIBITION.       
JRNL        REF    J.MED.CHEM.                   V.  59  1425 2016              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   25856009                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.5B00256                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.58 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.6.0117                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.58                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 49.23                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 55517                          
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) : 0.202                           
REMARK   3   R VALUE            (WORKING SET) : 0.200                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2958                            
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) : 1.58                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.62                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 3973                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 96.85                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2280                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 180                          
REMARK   3   BIN FREE R VALUE                    : 0.2710                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3071                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 110                                     
REMARK   3   SOLVENT ATOMS            : 428                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.75                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.12000                                              
REMARK   3    B22 (A**2) : 0.92000                                              
REMARK   3    B33 (A**2) : -1.04000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -0.25000                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.097         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.099         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.065         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.272         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.951                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.930                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  3299 ; 0.007 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  2267 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4496 ; 1.127 ; 1.964       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  5574 ; 0.836 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   371 ; 5.042 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   155 ;37.913 ;25.742       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   582 ;11.220 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     9 ;18.803 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   469 ; 0.063 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  3821 ; 0.005 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   608 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
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):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
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):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
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  : 3                                          
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    43        A   168                          
REMARK   3    ORIGIN FOR THE GROUP (A):  24.9376   6.0906  28.2101              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0485 T22:   0.0064                                     
REMARK   3      T33:   0.0421 T12:  -0.0041                                     
REMARK   3      T13:  -0.0169 T23:  -0.0030                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1746 L22:   0.4602                                     
REMARK   3      L33:   0.6026 L12:   0.0128                                     
REMARK   3      L13:   0.1220 L23:   0.3412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0411 S12:   0.0077 S13:  -0.0109                       
REMARK   3      S21:  -0.0230 S22:  -0.0127 S23:   0.0356                       
REMARK   3      S31:  -0.0674 S32:   0.0310 S33:   0.0538                       
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 :   B    42        B   167                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.6475  27.7246  23.2063              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0327 T22:   0.0206                                     
REMARK   3      T33:   0.0425 T12:   0.0010                                     
REMARK   3      T13:   0.0055 T23:  -0.0083                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3147 L22:   0.1286                                     
REMARK   3      L33:   0.8627 L12:  -0.0615                                     
REMARK   3      L13:   0.1392 L23:  -0.3209                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0177 S12:  -0.0109 S13:  -0.0108                       
REMARK   3      S21:  -0.0141 S22:   0.0283 S23:  -0.0144                       
REMARK   3      S31:   0.0274 S32:  -0.0588 S33:  -0.0105                       
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 :   C    42        C   163                          
REMARK   3    ORIGIN FOR THE GROUP (A): -17.4513  14.2986   7.1332              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0229 T22:   0.0447                                     
REMARK   3      T33:   0.0715 T12:  -0.0028                                     
REMARK   3      T13:   0.0108 T23:   0.0373                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4118 L22:   1.3195                                     
REMARK   3      L33:   1.5158 L12:   0.3474                                     
REMARK   3      L13:  -1.3530 L23:  -0.8422                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0719 S12:  -0.0926 S13:  -0.1979                       
REMARK   3      S21:  -0.0206 S22:  -0.0674 S23:   0.0971                       
REMARK   3      S31:   0.0604 S32:   0.1229 S33:   0.1393                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
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 4UIX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 03-APR-15.                  
REMARK 100 THE DEPOSITION ID IS D_1290063543.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-JAN-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID29                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97625                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 58489                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.580                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 49.230                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY                : 3.300                              
REMARK 200  R MERGE                    (I) : 0.11000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.4000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.58                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.39000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.45                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M CACL2, 0.1M HEPES, PEG 6K 20C,      
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       22.33500            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     SER A    42                                                      
REMARK 465     GLU B   168                                                      
REMARK 465     SER C    51                                                      
REMARK 465     ASN C    52                                                      
REMARK 465     PRO C    53                                                      
REMARK 465     ASN C    54                                                      
REMARK 465     LYS C    55                                                      
REMARK 465     PRO C    56                                                      
REMARK 465     LYS C    57                                                      
REMARK 465     LEU C   164                                                      
REMARK 465     PRO C   165                                                      
REMARK 465     THR C   166                                                      
REMARK 465     GLU C   167                                                      
REMARK 465     GLU C   168                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU C 163    CG   CD   OE1  OE2                                  
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   OH   TYR C    65     O    HOH C  2031              2.13            
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    ASN A  52      114.10   -160.88                                   
REMARK 500    LEU A  94       72.86   -119.85                                   
REMARK 500    ASN B  52      117.26   -160.07                                   
REMARK 500    ASN C 162       93.80    -62.63                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A2063        DISTANCE =  6.90 ANGSTROMS                       
REMARK 525    HOH B2025        DISTANCE =  7.18 ANGSTROMS                       
REMARK 525    HOH B2048        DISTANCE =  6.54 ANGSTROMS                       
REMARK 525    HOH C2110        DISTANCE =  7.91 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1169  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 EDO A1170   O1                                                     
REMARK 620 2 EDO A1170   O2   63.7                                              
REMARK 620 3 HOH A2148   O   121.2  80.5                                        
REMARK 620 4 HOH A2167   O   126.6  73.0  77.8                                  
REMARK 620 5 ASP A 145   OD2  79.7 114.2  74.7 149.6                            
REMARK 620 6 HOH A2147   O   143.2 152.4  84.9  81.1  83.8                      
REMARK 620 7 HOH A2145   O    75.5  93.4 155.3  77.5 128.9  90.2                
REMARK 620 8 ASP A 145   OD1  71.1 134.6 123.3 143.7  52.0  72.8  77.7          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1168  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP B 145   OD1                                                    
REMARK 620 2 ASP B 145   OD2  51.9                                              
REMARK 620 3 HOH B2131   O    75.7 127.6                                        
REMARK 620 4 HOH B2133   O    70.3  79.9  83.9                                  
REMARK 620 5 EDO B1169   O2   71.7  83.3  79.1 141.1                            
REMARK 620 6 HOH B2134   O   122.1  75.7 147.8  78.8 130.1                      
REMARK 620 7 HOH B2146   O   134.2 145.4  72.4  74.3 130.9  76.9                
REMARK 620 8 EDO B1169   O1  134.7 109.0 107.0 154.1  64.8  80.1  86.4          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1169                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 1168                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 1170                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO C 1164                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 1169                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TVU A 1171                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TVU B 1170                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TVU C 1165                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4UIT   RELATED DB: PDB                                   
REMARK 900 BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-DIMETHOXYPHENYL )-2-(4-        
REMARK 900 METHANESULFONYLPIPERAZINE-1-CARBONYL)-5-METHYL- 4H,5H-THIENO-3,2-C-  
REMARK 900 PYRIDIN-4-ONE                                                        
REMARK 900 RELATED ID: 4UIU   RELATED DB: PDB                                   
REMARK 900 BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-DIMETHOXYPHENYL )-N-(1,1-      
REMARK 900 DIOXO-1-THIAN-4-YL)-5-METHYL-4-OXO- 4H,5H-THIENO-3,2-C-PYRIDINE-2-   
REMARK 900 CARBOXAMIDE                                                          
REMARK 900 RELATED ID: 4UIV   RELATED DB: PDB                                   
REMARK 900 BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-DIOXO-1- THIAN-4-YL)-5-METHYL- 
REMARK 900 4-OXO-7-3-(TRIFLUOROMETHYL) PHENYL-4H,5H-THIENO-3,2-C-PYRIDINE-2-    
REMARK 900 CARBOXIMIDAMIDE                                                      
REMARK 900 RELATED ID: 4UIW   RELATED DB: PDB                                   
REMARK 900 BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-DIOXO-1- THIAN-4-YL)-5-ETHYL-  
REMARK 900 4-OXO-7-3-(TRIFLUOROMETHYL) PHENYL-4H,5H-THIENO-3,2-C-PYRIDINE-2-    
REMARK 900 CARBOXIMIDAMIDE                                                      
REMARK 900 RELATED ID: 4UIY   RELATED DB: PDB                                   
REMARK 900 N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1- DIOXO-1-THIAN-4-   
REMARK 900 YL)-5-METHYL-4-OXO-7-3-( TRIFLUOROMETHYL)PHENYL-4H,5H-THIENO-3,2-C-  
REMARK 900 PYRIDINE-2 -CARBOXIMIDAMIDE                                          
REMARK 900 RELATED ID: 4UIZ   RELATED DB: PDB                                   
REMARK 900 N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4- DIMETHOXYPHENYL)-  
REMARK 900 2-(4-METHANESULFONYLPIPERAZINE-1-CARBONYL )-5-METHYL-4H,5H-THIENO-3, 
REMARK 900 2-C-PYRIDIN-4-ONE                                                    
DBREF  4UIX A   44   168  UNP    O60885   BRD4_HUMAN      44    168             
DBREF  4UIX B   44   168  UNP    O60885   BRD4_HUMAN      44    168             
DBREF  4UIX C   44   168  UNP    O60885   BRD4_HUMAN      44    168             
SEQADV 4UIX SER A   42  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX MET A   43  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX LYS A   78  UNP  O60885    GLN    78 CONFLICT                       
SEQADV 4UIX SER B   42  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX MET B   43  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX LYS B   78  UNP  O60885    GLN    78 CONFLICT                       
SEQADV 4UIX SER C   42  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX MET C   43  UNP  O60885              EXPRESSION TAG                 
SEQADV 4UIX LYS C   78  UNP  O60885    GLN    78 CONFLICT                       
SEQRES   1 A  127  SER MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN          
SEQRES   2 A  127  LYS PRO LYS ARG GLN THR ASN GLN LEU GLN TYR LEU LEU          
SEQRES   3 A  127  ARG VAL VAL LEU LYS THR LEU TRP LYS HIS LYS PHE ALA          
SEQRES   4 A  127  TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN          
SEQRES   5 A  127  LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP          
SEQRES   6 A  127  MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR          
SEQRES   7 A  127  TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET          
SEQRES   8 A  127  PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP          
SEQRES   9 A  127  ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU          
SEQRES  10 A  127  GLN LYS ILE ASN GLU LEU PRO THR GLU GLU                      
SEQRES   1 B  127  SER MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN          
SEQRES   2 B  127  LYS PRO LYS ARG GLN THR ASN GLN LEU GLN TYR LEU LEU          
SEQRES   3 B  127  ARG VAL VAL LEU LYS THR LEU TRP LYS HIS LYS PHE ALA          
SEQRES   4 B  127  TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN          
SEQRES   5 B  127  LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP          
SEQRES   6 B  127  MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR          
SEQRES   7 B  127  TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET          
SEQRES   8 B  127  PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP          
SEQRES   9 B  127  ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU          
SEQRES  10 B  127  GLN LYS ILE ASN GLU LEU PRO THR GLU GLU                      
SEQRES   1 C  127  SER MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN          
SEQRES   2 C  127  LYS PRO LYS ARG GLN THR ASN GLN LEU GLN TYR LEU LEU          
SEQRES   3 C  127  ARG VAL VAL LEU LYS THR LEU TRP LYS HIS LYS PHE ALA          
SEQRES   4 C  127  TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN          
SEQRES   5 C  127  LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP          
SEQRES   6 C  127  MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR          
SEQRES   7 C  127  TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET          
SEQRES   8 C  127  PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP          
SEQRES   9 C  127  ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU          
SEQRES  10 C  127  GLN LYS ILE ASN GLU LEU PRO THR GLU GLU                      
HET     CA  A1169       1                                                       
HET    EDO  A1170       4                                                       
HET    TVU  A1171      32                                                       
HET     CA  B1168       1                                                       
HET    EDO  B1169       4                                                       
HET    TVU  B1170      32                                                       
HET    EDO  C1164       4                                                       
HET    TVU  C1165      32                                                       
HETNAM      CA CALCIUM ION                                                      
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETNAM     TVU N-[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]-7-(3,4-                     
HETNAM   2 TVU  DIMETHOXYPHENYL)-5-METHYL-4-OXIDANYLIDENE-THIENO[3,2-           
HETNAM   3 TVU  C]PYRIDINE-2-CARBOXAMIDE                                        
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   4   CA    2(CA 2+)                                                     
FORMUL   5  EDO    3(C2 H6 O2)                                                  
FORMUL   6  TVU    3(C22 H24 N2 O6 S2)                                          
FORMUL  12  HOH   *428(H2 O)                                                    
HELIX    1   1 THR A   60  VAL A   69  1                                  10    
HELIX    2   2 VAL A   69  HIS A   77  1                                   9    
HELIX    3   3 ALA A   80  GLN A   84  5                                   5    
HELIX    4   4 ASP A   96  ILE A  101  1                                   6    
HELIX    5   5 ASP A  106  ASN A  116  1                                  11    
HELIX    6   6 ASN A  121  ASN A  140  1                                  20    
HELIX    7   7 ASP A  144  ASN A  162  1                                  19    
HELIX    8   8 THR B   60  VAL B   69  1                                  10    
HELIX    9   9 VAL B   69  HIS B   77  1                                   9    
HELIX   10  10 ALA B   80  GLN B   84  5                                   5    
HELIX   11  11 ASP B   88  ASN B   93  1                                   6    
HELIX   12  12 ASP B   96  ILE B  101  1                                   6    
HELIX   13  13 ASP B  106  ASN B  116  1                                  11    
HELIX   14  14 ASN B  121  ASN B  140  1                                  20    
HELIX   15  15 ASP B  144  ASN B  162  1                                  19    
HELIX   16  16 THR C   60  VAL C   69  1                                  10    
HELIX   17  17 VAL C   69  LYS C   76  1                                   8    
HELIX   18  18 ALA C   80  GLN C   84  5                                   5    
HELIX   19  19 ASP C   96  ILE C  101  1                                   6    
HELIX   20  20 ASP C  106  ASN C  116  1                                  11    
HELIX   21  21 ASN C  121  ASN C  140  1                                  20    
HELIX   22  22 ASP C  144  ASN C  162  1                                  19    
LINK        CA    CA A1169                 O1  EDO A1170     1555   1555  2.53  
LINK        CA    CA A1169                 O2  EDO A1170     1555   1555  2.39  
LINK        CA    CA A1169                 O   HOH A2148     1555   1555  2.46  
LINK        CA    CA A1169                 O   HOH A2167     1555   1555  2.34  
LINK        CA    CA A1169                 OD2 ASP A 145     1555   1555  2.49  
LINK        CA    CA A1169                 O   HOH A2147     1555   1555  2.41  
LINK        CA    CA A1169                 O   HOH A2145     1555   1555  2.49  
LINK        CA    CA A1169                 OD1 ASP A 145     1555   1555  2.50  
LINK        CA    CA B1168                 OD1 ASP B 145     1555   1555  2.47  
LINK        CA    CA B1168                 OD2 ASP B 145     1555   1555  2.54  
LINK        CA    CA B1168                 O   HOH B2131     1555   1555  2.41  
LINK        CA    CA B1168                 O   HOH B2133     1555   1555  2.39  
LINK        CA    CA B1168                 O2  EDO B1169     1555   1555  2.45  
LINK        CA    CA B1168                 O   HOH B2134     1555   1555  2.39  
LINK        CA    CA B1168                 O   HOH B2146     1555   1555  2.49  
LINK        CA    CA B1168                 O1  EDO B1169     1555   1555  2.54  
SITE     1 AC1  6 ASP A 145  EDO A1170  HOH A2145  HOH A2147                    
SITE     2 AC1  6 HOH A2148  HOH A2167                                          
SITE     1 AC2  6 ASP B 145  EDO B1169  HOH B2131  HOH B2133                    
SITE     2 AC2  6 HOH B2134  HOH B2146                                          
SITE     1 AC3  7 ASP A 144  ASP A 145   CA A1169  TVU A1171                    
SITE     2 AC3  7 HOH A2145  HOH A2167  HOH A2168                               
SITE     1 AC4  6 ILE C 100  ILE C 101  LYS C 102  THR C 103                    
SITE     2 AC4  6 ASN C 135  HOH C2109                                          
SITE     1 AC5  5 ASP B 144  ASP B 145   CA B1168  TVU B1170                    
SITE     2 AC5  5 HOH B2131                                                     
SITE     1 AC6 12 TRP A  81  PRO A  82  PHE A  83  LEU A  92                    
SITE     2 AC6 12 TYR A 139  ASN A 140  LYS A 141  ASP A 144                    
SITE     3 AC6 12 EDO A1170  HOH A2098  HOH A2107  HOH A2169                    
SITE     1 AC7 12 TRP B  81  PRO B  82  PHE B  83  VAL B  87                    
SITE     2 AC7 12 LEU B  92  TYR B 139  ASN B 140  LYS B 141                    
SITE     3 AC7 12 ASP B 144  EDO B1169  HOH B2090  HOH B2148                    
SITE     1 AC8 10 TRP C  81  PRO C  82  VAL C  87  LEU C  92                    
SITE     2 AC8 10 LEU C  94  TYR C 139  ASN C 140  LYS C 141                    
SITE     3 AC8 10 ASP C 144  HOH C2067                                          
CRYST1   63.640   44.670   77.550  90.00  90.09  90.00 P 1 21 1      6          
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      0.015713  0.000000  0.000025        0.00000                         
SCALE2      0.000000  0.022386  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012895        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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